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/NTUJDW-77bce55f/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/NTUJDW-77bce55f/inputs/seq.fa: 1
curr_seq: _CCGGGGCCGGGG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CCGGGGCCGGGG
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 12 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: 65
n_atoms_counter: 65
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 12.000000 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/NTUJDW-77bce55f/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/NTUJDW-77bce55f/inputs/seq.fa: 1
curr_seq: _CCGGGGCCGGGG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CCGGGGCCGGGG
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 12 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: 65
n_atoms_counter: 65
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 12.000000 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/NTUJDW-77bce55f/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/NTUJDW-77bce55f/inputs/seq.fa: 1
curr_seq: _CCGGGGCCGGGG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CCGGGGCCGGGG
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 12 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: 65
n_atoms_counter: 65
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 12.000000 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/NTUJDW-77bce55f/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/NTUJDW-77bce55f/inputs/seq.fa: 1
curr_seq: _CCGGGGCCGGGG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CCGGGGCCGGGG
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 12 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: 65
n_atoms_counter: 65
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 12.000000 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/NTUJDW-77bce55f/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/NTUJDW-77bce55f/inputs/seq.fa: 1
curr_seq: _CCGGGGCCGGGG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CCGGGGCCGGGG
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 12 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: 65
n_atoms_counter: 65
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 12.000000 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/NTUJDW-77bce55f/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/NTUJDW-77bce55f/inputs/seq.fa: 1
curr_seq: _CCGGGGCCGGGG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CCGGGGCCGGGG
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 12 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: 65
n_atoms_counter: 65
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 12.000000 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/NTUJDW-77bce55f/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/NTUJDW-77bce55f/inputs/seq.fa: 1
curr_seq: _CCGGGGCCGGGG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CCGGGGCCGGGG
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 12 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: 65
n_atoms_counter: 65
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 12.000000 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/NTUJDW-77bce55f/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/NTUJDW-77bce55f/inputs/seq.fa: 1
curr_seq: _CCGGGGCCGGGG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CCGGGGCCGGGG
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 12 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: 65
n_atoms_counter: 65
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 12.000000 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/NTUJDW-77bce55f/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/NTUJDW-77bce55f/inputs/seq.fa: 1
curr_seq: _CCGGGGCCGGGG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CCGGGGCCGGGG
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 12 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: 65
n_atoms_counter: 65
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 12.000000 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/NTUJDW-77bce55f/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/NTUJDW-77bce55f/inputs/seq.fa: 1
curr_seq: _CCGGGGCCGGGG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CCGGGGCCGGGG
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 12 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: 65
n_atoms_counter: 65
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 12.000000 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: -42.681061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.681061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.681061 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.000
local terms energy: -42.680999
where:
bonds (distance) C4'-P energy: -11.659
bonds (distance) P-C4' energy: -11.630
flat angles C4'-P-C4' energy: -8.811
flat angles P-C4'-P energy: -10.078
tors. eta vs tors. theta energy: -0.502
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: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -42.681061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.681061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.681061 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.000
local terms energy: -42.680999
where:
bonds (distance) C4'-P energy: -11.659
bonds (distance) P-C4' energy: -11.630
flat angles C4'-P-C4' energy: -8.811
flat angles P-C4'-P energy: -10.078
tors. eta vs tors. theta energy: -0.502
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: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -42.681061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.681061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.681061 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.000
local terms energy: -42.680999
where:
bonds (distance) C4'-P energy: -11.659
bonds (distance) P-C4' energy: -11.630
flat angles C4'-P-C4' energy: -8.811
flat angles P-C4'-P energy: -10.078
tors. eta vs tors. theta energy: -0.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -42.681061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.681061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.681061 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.000
local terms energy: -42.680999
where:
bonds (distance) C4'-P energy: -11.659
bonds (distance) P-C4' energy: -11.630
flat angles C4'-P-C4' energy: -8.811
flat angles P-C4'-P energy: -10.078
tors. eta vs tors. theta energy: -0.502
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: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -42.681061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.681061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.681061 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.000
local terms energy: -42.680999
where:
bonds (distance) C4'-P energy: -11.659
bonds (distance) P-C4' energy: -11.630
flat angles C4'-P-C4' energy: -8.811
flat angles P-C4'-P energy: -10.078
tors. eta vs tors. theta energy: -0.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -42.681061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.681061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.681061 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.000
local terms energy: -42.680999
where:
bonds (distance) C4'-P energy: -11.659
bonds (distance) P-C4' energy: -11.630
flat angles C4'-P-C4' energy: -8.811
flat angles P-C4'-P energy: -10.078
tors. eta vs tors. theta energy: -0.502
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: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -42.681061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.681061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.681061 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.000
local terms energy: -42.680999
where:
bonds (distance) C4'-P energy: -11.659
bonds (distance) P-C4' energy: -11.630
flat angles C4'-P-C4' energy: -8.811
flat angles P-C4'-P energy: -10.078
tors. eta vs tors. theta energy: -0.502
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: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -42.681061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.681061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.681061 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.000
local terms energy: -42.680999
where:
bonds (distance) C4'-P energy: -11.659
bonds (distance) P-C4' energy: -11.630
flat angles C4'-P-C4' energy: -8.811
flat angles P-C4'-P energy: -10.078
tors. eta vs tors. theta energy: -0.502
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: 1
Temperature: 1.300000
Total energy: -42.681061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.681061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.681061 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.000
local terms energy: -42.680999
where:
bonds (distance) C4'-P energy: -11.659
bonds (distance) P-C4' energy: -11.630
flat angles C4'-P-C4' energy: -8.811
flat angles P-C4'-P energy: -10.078
tors. eta vs tors. theta energy: -0.502
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: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -42.681061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.681061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.681061 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.000
local terms energy: -42.680999
where:
bonds (distance) C4'-P energy: -11.659
bonds (distance) P-C4' energy: -11.630
flat angles C4'-P-C4' energy: -8.811
flat angles P-C4'-P energy: -10.078
tors. eta vs tors. theta energy: -0.502
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: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -103.431363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.431363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.431363 (E_RNA)
where:
Base-Base interactions energy: -61.198
where: short stacking energy: -36.349
Base-Backbone interact. energy: -0.086
local terms energy: -42.147182
where:
bonds (distance) C4'-P energy: -9.415
bonds (distance) P-C4' energy: -10.570
flat angles C4'-P-C4' energy: -8.895
flat angles P-C4'-P energy: -6.890
tors. eta vs tors. theta energy: -6.376
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: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -86.405220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.405220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.405220 (E_RNA)
where:
Base-Base interactions energy: -43.177
where: short stacking energy: -43.177
Base-Backbone interact. energy: -0.003
local terms energy: -43.225541
where:
bonds (distance) C4'-P energy: -8.916
bonds (distance) P-C4' energy: -8.203
flat angles C4'-P-C4' energy: -10.421
flat angles P-C4'-P energy: -5.217
tors. eta vs tors. theta energy: -10.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -110.699191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.699191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.699191 (E_RNA)
where:
Base-Base interactions energy: -68.076
where: short stacking energy: -39.427
Base-Backbone interact. energy: -0.000
local terms energy: -42.623366
where:
bonds (distance) C4'-P energy: -10.037
bonds (distance) P-C4' energy: -10.637
flat angles C4'-P-C4' energy: -9.551
flat angles P-C4'-P energy: -4.144
tors. eta vs tors. theta energy: -8.254
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: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -89.153907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.153907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.153907 (E_RNA)
where:
Base-Base interactions energy: -49.410
where: short stacking energy: -32.156
Base-Backbone interact. energy: -0.008
local terms energy: -39.735887
where:
bonds (distance) C4'-P energy: -10.285
bonds (distance) P-C4' energy: -7.680
flat angles C4'-P-C4' energy: -9.283
flat angles P-C4'-P energy: -6.281
tors. eta vs tors. theta energy: -6.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -88.831010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.831010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.831010 (E_RNA)
where:
Base-Base interactions energy: -52.559
where: short stacking energy: -21.803
Base-Backbone interact. energy: -0.639
local terms energy: -35.632708
where:
bonds (distance) C4'-P energy: -8.331
bonds (distance) P-C4' energy: -9.817
flat angles C4'-P-C4' energy: -10.723
flat angles P-C4'-P energy: -6.528
tors. eta vs tors. theta energy: -0.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -127.310767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.310767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.310767 (E_RNA)
where:
Base-Base interactions energy: -92.848
where: short stacking energy: -35.066
Base-Backbone interact. energy: 0.317
local terms energy: -34.780518
where:
bonds (distance) C4'-P energy: -7.451
bonds (distance) P-C4' energy: -7.417
flat angles C4'-P-C4' energy: -8.202
flat angles P-C4'-P energy: -7.081
tors. eta vs tors. theta energy: -4.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -77.047254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.047254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.047254 (E_RNA)
where:
Base-Base interactions energy: -45.513
where: short stacking energy: -26.971
Base-Backbone interact. energy: -0.100
local terms energy: -31.433671
where:
bonds (distance) C4'-P energy: -8.000
bonds (distance) P-C4' energy: -6.395
flat angles C4'-P-C4' energy: -3.610
flat angles P-C4'-P energy: -7.617
tors. eta vs tors. theta energy: -5.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -73.037936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.037936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.037936 (E_RNA)
where:
Base-Base interactions energy: -44.897
where: short stacking energy: -19.112
Base-Backbone interact. energy: 0.488
local terms energy: -28.629380
where:
bonds (distance) C4'-P energy: -9.904
bonds (distance) P-C4' energy: -6.191
flat angles C4'-P-C4' energy: -5.713
flat angles P-C4'-P energy: -5.692
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: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -111.239585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.239585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.239585 (E_RNA)
where:
Base-Base interactions energy: -80.959
where: short stacking energy: -32.953
Base-Backbone interact. energy: -0.019
local terms energy: -30.261589
where:
bonds (distance) C4'-P energy: -8.351
bonds (distance) P-C4' energy: -9.006
flat angles C4'-P-C4' energy: -3.074
flat angles P-C4'-P energy: -5.260
tors. eta vs tors. theta energy: -4.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -54.078149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.078149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.078149 (E_RNA)
where:
Base-Base interactions energy: -25.733
where: short stacking energy: -25.733
Base-Backbone interact. energy: -0.006
local terms energy: -28.339002
where:
bonds (distance) C4'-P energy: -4.260
bonds (distance) P-C4' energy: -6.822
flat angles C4'-P-C4' energy: -9.025
flat angles P-C4'-P energy: -5.126
tors. eta vs tors. theta energy: -3.105
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: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -131.809446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.809446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.809446 (E_RNA)
where:
Base-Base interactions energy: -89.578
where: short stacking energy: -43.435
Base-Backbone interact. energy: -0.000
local terms energy: -42.230631
where:
bonds (distance) C4'-P energy: -10.570
bonds (distance) P-C4' energy: -11.360
flat angles C4'-P-C4' energy: -5.306
flat angles P-C4'-P energy: -4.771
tors. eta vs tors. theta energy: -10.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -116.720515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.720515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.720515 (E_RNA)
where:
Base-Base interactions energy: -80.036
where: short stacking energy: -37.476
Base-Backbone interact. energy: -0.051
local terms energy: -36.633009
where:
bonds (distance) C4'-P energy: -8.216
bonds (distance) P-C4' energy: -8.243
flat angles C4'-P-C4' energy: -6.925
flat angles P-C4'-P energy: -5.555
tors. eta vs tors. theta energy: -7.695
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: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -84.634386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.634386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.634386 (E_RNA)
where:
Base-Base interactions energy: -43.822
where: short stacking energy: -43.822
Base-Backbone interact. energy: -0.013
local terms energy: -40.799913
where:
bonds (distance) C4'-P energy: -6.225
bonds (distance) P-C4' energy: -10.637
flat angles C4'-P-C4' energy: -10.182
flat angles P-C4'-P energy: -3.314
tors. eta vs tors. theta energy: -10.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -94.702607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.702607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.702607 (E_RNA)
where:
Base-Base interactions energy: -51.802
where: short stacking energy: -37.198
Base-Backbone interact. energy: -0.329
local terms energy: -42.571435
where:
bonds (distance) C4'-P energy: -8.199
bonds (distance) P-C4' energy: -11.600
flat angles C4'-P-C4' energy: -7.310
flat angles P-C4'-P energy: -6.436
tors. eta vs tors. theta energy: -9.027
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: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -123.455743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.455743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.455743 (E_RNA)
where:
Base-Base interactions energy: -87.380
where: short stacking energy: -37.756
Base-Backbone interact. energy: -0.012
local terms energy: -36.064180
where:
bonds (distance) C4'-P energy: -9.751
bonds (distance) P-C4' energy: -10.290
flat angles C4'-P-C4' energy: -6.096
flat angles P-C4'-P energy: -3.157
tors. eta vs tors. theta energy: -6.771
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: 6
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -119.958595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.958595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.958595 (E_RNA)
where:
Base-Base interactions energy: -82.031
where: short stacking energy: -32.370
Base-Backbone interact. energy: 0.089
local terms energy: -38.016796
where:
bonds (distance) C4'-P energy: -9.350
bonds (distance) P-C4' energy: -10.143
flat angles C4'-P-C4' energy: -7.905
flat angles P-C4'-P energy: -5.737
tors. eta vs tors. theta energy: -4.882
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: 7
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -79.111122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.111122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.111122 (E_RNA)
where:
Base-Base interactions energy: -40.677
where: short stacking energy: -40.677
Base-Backbone interact. energy: -0.004
local terms energy: -38.430788
where:
bonds (distance) C4'-P energy: -8.712
bonds (distance) P-C4' energy: -10.405
flat angles C4'-P-C4' energy: -5.361
flat angles P-C4'-P energy: -2.629
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: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -100.373451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.373451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.373451 (E_RNA)
where:
Base-Base interactions energy: -74.348
where: short stacking energy: -30.198
Base-Backbone interact. energy: -0.167
local terms energy: -25.858795
where:
bonds (distance) C4'-P energy: -6.707
bonds (distance) P-C4' energy: -9.514
flat angles C4'-P-C4' energy: -1.262
flat angles P-C4'-P energy: -5.450
tors. eta vs tors. theta energy: -2.926
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: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -61.804956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.804956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.804956 (E_RNA)
where:
Base-Base interactions energy: -27.156
where: short stacking energy: -25.465
Base-Backbone interact. energy: -0.278
local terms energy: -34.370784
where:
bonds (distance) C4'-P energy: -9.458
bonds (distance) P-C4' energy: -8.756
flat angles C4'-P-C4' energy: -7.903
flat angles P-C4'-P energy: -4.839
tors. eta vs tors. theta energy: -3.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -60.612352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.612352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.612352 (E_RNA)
where:
Base-Base interactions energy: -27.409
where: short stacking energy: -19.967
Base-Backbone interact. energy: -0.106
local terms energy: -33.096541
where:
bonds (distance) C4'-P energy: -10.131
bonds (distance) P-C4' energy: -8.500
flat angles C4'-P-C4' energy: -8.814
flat angles P-C4'-P energy: -4.641
tors. eta vs tors. theta energy: -1.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -136.269279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.269279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.269279 (E_RNA)
where:
Base-Base interactions energy: -93.108
where: short stacking energy: -41.192
Base-Backbone interact. energy: -0.001
local terms energy: -43.160650
where:
bonds (distance) C4'-P energy: -7.515
bonds (distance) P-C4' energy: -11.081
flat angles C4'-P-C4' energy: -9.428
flat angles P-C4'-P energy: -8.000
tors. eta vs tors. theta energy: -7.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -121.194172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.194172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.194172 (E_RNA)
where:
Base-Base interactions energy: -80.822
where: short stacking energy: -43.603
Base-Backbone interact. energy: -0.091
local terms energy: -40.280344
where:
bonds (distance) C4'-P energy: -6.542
bonds (distance) P-C4' energy: -7.509
flat angles C4'-P-C4' energy: -10.985
flat angles P-C4'-P energy: -6.469
tors. eta vs tors. theta energy: -8.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -96.839150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.839150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.839150 (E_RNA)
where:
Base-Base interactions energy: -57.566
where: short stacking energy: -39.210
Base-Backbone interact. energy: -0.001
local terms energy: -39.272301
where:
bonds (distance) C4'-P energy: -7.991
bonds (distance) P-C4' energy: -9.665
flat angles C4'-P-C4' energy: -8.979
flat angles P-C4'-P energy: -3.754
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: 4, replica: 2
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -69.471754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.471754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.471754 (E_RNA)
where:
Base-Base interactions energy: -30.197
where: short stacking energy: -30.197
Base-Backbone interact. energy: -0.087
local terms energy: -39.188693
where:
bonds (distance) C4'-P energy: -7.722
bonds (distance) P-C4' energy: -11.103
flat angles C4'-P-C4' energy: -8.686
flat angles P-C4'-P energy: -6.909
tors. eta vs tors. theta energy: -4.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -122.317011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.317011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.317011 (E_RNA)
where:
Base-Base interactions energy: -80.327
where: short stacking energy: -46.686
Base-Backbone interact. energy: -0.003
local terms energy: -41.987501
where:
bonds (distance) C4'-P energy: -7.382
bonds (distance) P-C4' energy: -7.457
flat angles C4'-P-C4' energy: -9.665
flat angles P-C4'-P energy: -6.194
tors. eta vs tors. theta energy: -11.290
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: 4
Temperature: 1.150000
Total energy: -135.024704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.024704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.024704 (E_RNA)
where:
Base-Base interactions energy: -94.510
where: short stacking energy: -44.899
Base-Backbone interact. energy: -0.105
local terms energy: -40.409134
where:
bonds (distance) C4'-P energy: -7.540
bonds (distance) P-C4' energy: -8.140
flat angles C4'-P-C4' energy: -10.501
flat angles P-C4'-P energy: -6.444
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: 4
Temperature: 1.200000
Total energy: -116.086506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.086506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.086506 (E_RNA)
where:
Base-Base interactions energy: -79.774
where: short stacking energy: -31.546
Base-Backbone interact. energy: 1.402
local terms energy: -37.714911
where:
bonds (distance) C4'-P energy: -10.740
bonds (distance) P-C4' energy: -10.842
flat angles C4'-P-C4' energy: -7.476
flat angles P-C4'-P energy: -4.638
tors. eta vs tors. theta energy: -4.020
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: 7
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -121.502999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.502999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.502999 (E_RNA)
where:
Base-Base interactions energy: -84.657
where: short stacking energy: -34.437
Base-Backbone interact. energy: -0.046
local terms energy: -36.800078
where:
bonds (distance) C4'-P energy: -6.699
bonds (distance) P-C4' energy: -6.658
flat angles C4'-P-C4' energy: -9.908
flat angles P-C4'-P energy: -4.737
tors. eta vs tors. theta energy: -8.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -60.775953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.775953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.775953 (E_RNA)
where:
Base-Base interactions energy: -29.474
where: short stacking energy: -15.175
Base-Backbone interact. energy: -0.113
local terms energy: -31.188582
where:
bonds (distance) C4'-P energy: -7.805
bonds (distance) P-C4' energy: -9.993
flat angles C4'-P-C4' energy: -9.469
flat angles P-C4'-P energy: -3.837
tors. eta vs tors. theta energy: -0.085
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: 10, replica: 8
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -63.160838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.160838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.160838 (E_RNA)
where:
Base-Base interactions energy: -34.099
where: short stacking energy: -34.099
Base-Backbone interact. energy: -0.141
local terms energy: -28.921056
where:
bonds (distance) C4'-P energy: -4.016
bonds (distance) P-C4' energy: -9.506
flat angles C4'-P-C4' energy: -7.801
flat angles P-C4'-P energy: -3.488
tors. eta vs tors. theta energy: -4.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -141.282620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.282620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.282620 (E_RNA)
where:
Base-Base interactions energy: -97.078
where: short stacking energy: -39.539
Base-Backbone interact. energy: -1.123
local terms energy: -43.081913
where:
bonds (distance) C4'-P energy: -9.646
bonds (distance) P-C4' energy: -8.414
flat angles C4'-P-C4' energy: -9.339
flat angles P-C4'-P energy: -5.816
tors. eta vs tors. theta energy: -9.866
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: 5
Temperature: 0.950000
Total energy: -107.568764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.568764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.568764 (E_RNA)
where:
Base-Base interactions energy: -61.832
where: short stacking energy: -48.384
Base-Backbone interact. energy: -0.003
local terms energy: -45.733919
where:
bonds (distance) C4'-P energy: -9.441
bonds (distance) P-C4' energy: -8.914
flat angles C4'-P-C4' energy: -8.268
flat angles P-C4'-P energy: -8.473
tors. eta vs tors. theta energy: -10.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -112.775398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.775398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.775398 (E_RNA)
where:
Base-Base interactions energy: -74.031
where: short stacking energy: -39.782
Base-Backbone interact. energy: -0.000
local terms energy: -38.743722
where:
bonds (distance) C4'-P energy: -9.051
bonds (distance) P-C4' energy: -6.438
flat angles C4'-P-C4' energy: -9.880
flat angles P-C4'-P energy: -4.527
tors. eta vs tors. theta energy: -8.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -129.119957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.119957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.119957 (E_RNA)
where:
Base-Base interactions energy: -88.948
where: short stacking energy: -35.611
Base-Backbone interact. energy: -0.060
local terms energy: -40.112366
where:
bonds (distance) C4'-P energy: -7.922
bonds (distance) P-C4' energy: -10.581
flat angles C4'-P-C4' energy: -8.891
flat angles P-C4'-P energy: -8.513
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: 5, replica: 2
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -71.643068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.643068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.643068 (E_RNA)
where:
Base-Base interactions energy: -33.251
where: short stacking energy: -23.917
Base-Backbone interact. energy: -0.091
local terms energy: -38.301946
where:
bonds (distance) C4'-P energy: -10.061
bonds (distance) P-C4' energy: -9.640
flat angles C4'-P-C4' energy: -4.874
flat angles P-C4'-P energy: -8.315
tors. eta vs tors. theta energy: -5.411
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: 5
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -131.128768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.128768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.128768 (E_RNA)
where:
Base-Base interactions energy: -88.704
where: short stacking energy: -44.083
Base-Backbone interact. energy: -1.335
local terms energy: -41.090514
where:
bonds (distance) C4'-P energy: -7.023
bonds (distance) P-C4' energy: -10.429
flat angles C4'-P-C4' energy: -7.380
flat angles P-C4'-P energy: -6.367
tors. eta vs tors. theta energy: -9.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -127.517454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.517454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.517454 (E_RNA)
where:
Base-Base interactions energy: -89.530
where: short stacking energy: -43.546
Base-Backbone interact. energy: 0.034
local terms energy: -38.021412
where:
bonds (distance) C4'-P energy: -6.997
bonds (distance) P-C4' energy: -5.521
flat angles C4'-P-C4' energy: -9.884
flat angles P-C4'-P energy: -6.565
tors. eta vs tors. theta energy: -9.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -119.315049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.315049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.315049 (E_RNA)
where:
Base-Base interactions energy: -82.651
where: short stacking energy: -36.905
Base-Backbone interact. energy: -0.147
local terms energy: -36.516755
where:
bonds (distance) C4'-P energy: -7.565
bonds (distance) P-C4' energy: -8.634
flat angles C4'-P-C4' energy: -8.635
flat angles P-C4'-P energy: -6.430
tors. eta vs tors. theta energy: -5.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -60.522151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.522151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.522151 (E_RNA)
where:
Base-Base interactions energy: -25.895
where: short stacking energy: -26.189
Base-Backbone interact. energy: -0.043
local terms energy: -34.584726
where:
bonds (distance) C4'-P energy: -8.687
bonds (distance) P-C4' energy: -9.603
flat angles C4'-P-C4' energy: -4.078
flat angles P-C4'-P energy: -5.994
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: 10, replica: 8
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -48.943318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.943318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.943318 (E_RNA)
where:
Base-Base interactions energy: -19.407
where: short stacking energy: -15.265
Base-Backbone interact. energy: -0.145
local terms energy: -29.391050
where:
bonds (distance) C4'-P energy: -7.375
bonds (distance) P-C4' energy: -7.669
flat angles C4'-P-C4' energy: -6.654
flat angles P-C4'-P energy: -4.884
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: 1, replica: 1
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -143.162571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.162571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.162571 (E_RNA)
where:
Base-Base interactions energy: -97.115
where: short stacking energy: -45.568
Base-Backbone interact. energy: -0.398
local terms energy: -45.650370
where:
bonds (distance) C4'-P energy: -10.223
bonds (distance) P-C4' energy: -7.799
flat angles C4'-P-C4' energy: -9.262
flat angles P-C4'-P energy: -7.533
tors. eta vs tors. theta energy: -10.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -90.762828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.762828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.762828 (E_RNA)
where:
Base-Base interactions energy: -58.428
where: short stacking energy: -29.144
Base-Backbone interact. energy: -0.061
local terms energy: -32.273128
where:
bonds (distance) C4'-P energy: -7.752
bonds (distance) P-C4' energy: -6.196
flat angles C4'-P-C4' energy: -9.721
flat angles P-C4'-P energy: -3.722
tors. eta vs tors. theta energy: -4.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -132.253735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.253735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.253735 (E_RNA)
where:
Base-Base interactions energy: -90.226
where: short stacking energy: -33.632
Base-Backbone interact. energy: -1.107
local terms energy: -40.920065
where:
bonds (distance) C4'-P energy: -8.133
bonds (distance) P-C4' energy: -11.116
flat angles C4'-P-C4' energy: -8.176
flat angles P-C4'-P energy: -8.436
tors. eta vs tors. theta energy: -5.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -113.307063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.307063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.307063 (E_RNA)
where:
Base-Base interactions energy: -72.525
where: short stacking energy: -27.574
Base-Backbone interact. energy: -0.122
local terms energy: -40.659480
where:
bonds (distance) C4'-P energy: -9.813
bonds (distance) P-C4' energy: -7.692
flat angles C4'-P-C4' energy: -10.288
flat angles P-C4'-P energy: -8.454
tors. eta vs tors. theta energy: -4.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -135.391460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.391460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.391460 (E_RNA)
where:
Base-Base interactions energy: -89.339
where: short stacking energy: -42.223
Base-Backbone interact. energy: -0.245
local terms energy: -45.807282
where:
bonds (distance) C4'-P energy: -8.462
bonds (distance) P-C4' energy: -11.078
flat angles C4'-P-C4' energy: -10.711
flat angles P-C4'-P energy: -5.951
tors. eta vs tors. theta energy: -9.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -79.860657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.860657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.860657 (E_RNA)
where:
Base-Base interactions energy: -42.771
where: short stacking energy: -39.058
Base-Backbone interact. energy: -0.008
local terms energy: -37.082027
where:
bonds (distance) C4'-P energy: -7.789
bonds (distance) P-C4' energy: -9.969
flat angles C4'-P-C4' energy: -7.933
flat angles P-C4'-P energy: -5.175
tors. eta vs tors. theta energy: -6.215
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: 7, replica: 7
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -131.642091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.642091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.642091 (E_RNA)
where:
Base-Base interactions energy: -89.663
where: short stacking energy: -40.331
Base-Backbone interact. energy: -1.101
local terms energy: -40.878516
where:
bonds (distance) C4'-P energy: -8.550
bonds (distance) P-C4' energy: -8.746
flat angles C4'-P-C4' energy: -8.940
flat angles P-C4'-P energy: -6.505
tors. eta vs tors. theta energy: -8.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -124.393639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.393639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.393639 (E_RNA)
where:
Base-Base interactions energy: -85.513
where: short stacking energy: -39.570
Base-Backbone interact. energy: -0.948
local terms energy: -37.932549
where:
bonds (distance) C4'-P energy: -9.821
bonds (distance) P-C4' energy: -8.784
flat angles C4'-P-C4' energy: -8.899
flat angles P-C4'-P energy: -2.002
tors. eta vs tors. theta energy: -8.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -64.621024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.621024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.621024 (E_RNA)
where:
Base-Base interactions energy: -33.283
where: short stacking energy: -20.507
Base-Backbone interact. energy: 0.674
local terms energy: -32.011838
where:
bonds (distance) C4'-P energy: -6.915
bonds (distance) P-C4' energy: -7.470
flat angles C4'-P-C4' energy: -8.875
flat angles P-C4'-P energy: -5.398
tors. eta vs tors. theta energy: -3.354
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: 8
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -61.649723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.649723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.649723 (E_RNA)
where:
Base-Base interactions energy: -32.859
where: short stacking energy: -12.955
Base-Backbone interact. energy: -0.886
local terms energy: -27.905364
where:
bonds (distance) C4'-P energy: -7.702
bonds (distance) P-C4' energy: -7.368
flat angles C4'-P-C4' energy: -9.424
flat angles P-C4'-P energy: -4.493
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: 1, replica: 1
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -143.746349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.746349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.746349 (E_RNA)
where:
Base-Base interactions energy: -95.559
where: short stacking energy: -44.720
Base-Backbone interact. energy: -0.630
local terms energy: -47.557262
where:
bonds (distance) C4'-P energy: -8.774
bonds (distance) P-C4' energy: -10.208
flat angles C4'-P-C4' energy: -10.064
flat angles P-C4'-P energy: -7.650
tors. eta vs tors. theta energy: -10.861
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: 6
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -134.309823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.309823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.309823 (E_RNA)
where:
Base-Base interactions energy: -98.357
where: short stacking energy: -33.672
Base-Backbone interact. energy: -0.064
local terms energy: -35.888449
where:
bonds (distance) C4'-P energy: -9.929
bonds (distance) P-C4' energy: -9.714
flat angles C4'-P-C4' energy: -9.014
flat angles P-C4'-P energy: -1.450
tors. eta vs tors. theta energy: -5.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -113.437037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.437037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.437037 (E_RNA)
where:
Base-Base interactions energy: -77.900
where: short stacking energy: -35.564
Base-Backbone interact. energy: 0.658
local terms energy: -36.195665
where:
bonds (distance) C4'-P energy: -7.569
bonds (distance) P-C4' energy: -9.463
flat angles C4'-P-C4' energy: -10.449
flat angles P-C4'-P energy: -3.846
tors. eta vs tors. theta energy: -4.869
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: 7
Temperature: 1.050000
Total energy: -135.853602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.853602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.853602 (E_RNA)
where:
Base-Base interactions energy: -90.434
where: short stacking energy: -38.371
Base-Backbone interact. energy: -2.312
local terms energy: -43.107762
where:
bonds (distance) C4'-P energy: -9.088
bonds (distance) P-C4' energy: -8.690
flat angles C4'-P-C4' energy: -8.403
flat angles P-C4'-P energy: -6.195
tors. eta vs tors. theta energy: -10.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -117.059226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.059226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.059226 (E_RNA)
where:
Base-Base interactions energy: -83.209
where: short stacking energy: -31.016
Base-Backbone interact. energy: -0.143
local terms energy: -33.707924
where:
bonds (distance) C4'-P energy: -5.139
bonds (distance) P-C4' energy: -8.647
flat angles C4'-P-C4' energy: -8.377
flat angles P-C4'-P energy: -5.432
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: 6, replica: 7
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -130.614322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.614322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.614322 (E_RNA)
where:
Base-Base interactions energy: -91.990
where: short stacking energy: -43.038
Base-Backbone interact. energy: -0.819
local terms energy: -37.805510
where:
bonds (distance) C4'-P energy: -9.253
bonds (distance) P-C4' energy: -2.106
flat angles C4'-P-C4' energy: -9.827
flat angles P-C4'-P energy: -8.153
tors. eta vs tors. theta energy: -8.466
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: 7, replica: 2
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -88.479057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.479057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.479057 (E_RNA)
where:
Base-Base interactions energy: -61.859
where: short stacking energy: -25.040
Base-Backbone interact. energy: -0.108
local terms energy: -26.512378
where:
bonds (distance) C4'-P energy: -5.814
bonds (distance) P-C4' energy: -6.592
flat angles C4'-P-C4' energy: -5.819
flat angles P-C4'-P energy: -6.166
tors. eta vs tors. theta energy: -2.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -123.206726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.206726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.206726 (E_RNA)
where:
Base-Base interactions energy: -86.309
where: short stacking energy: -35.456
Base-Backbone interact. energy: -0.603
local terms energy: -36.294545
where:
bonds (distance) C4'-P energy: -5.710
bonds (distance) P-C4' energy: -10.091
flat angles C4'-P-C4' energy: -6.596
flat angles P-C4'-P energy: -4.691
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: 10
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -58.734912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.734912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.734912 (E_RNA)
where:
Base-Base interactions energy: -24.717
where: short stacking energy: -24.665
Base-Backbone interact. energy: -0.092
local terms energy: -33.925936
where:
bonds (distance) C4'-P energy: -8.000
bonds (distance) P-C4' energy: -9.886
flat angles C4'-P-C4' energy: -7.077
flat angles P-C4'-P energy: -3.207
tors. eta vs tors. theta energy: -5.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -53.686336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.686336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.686336 (E_RNA)
where:
Base-Base interactions energy: -28.814
where: short stacking energy: -20.055
Base-Backbone interact. energy: 1.475
local terms energy: -26.346918
where:
bonds (distance) C4'-P energy: -6.774
bonds (distance) P-C4' energy: -10.416
flat angles C4'-P-C4' energy: -5.965
flat angles P-C4'-P energy: -3.557
tors. eta vs tors. theta energy: 0.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -145.234920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.234920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.234920 (E_RNA)
where:
Base-Base interactions energy: -106.016
where: short stacking energy: -37.130
Base-Backbone interact. energy: -0.060
local terms energy: -39.158173
where:
bonds (distance) C4'-P energy: -10.533
bonds (distance) P-C4' energy: -10.448
flat angles C4'-P-C4' energy: -8.723
flat angles P-C4'-P energy: -3.321
tors. eta vs tors. theta energy: -6.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -139.087437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.087437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.087437 (E_RNA)
where:
Base-Base interactions energy: -93.678
where: short stacking energy: -43.938
Base-Backbone interact. energy: -0.385
local terms energy: -45.023934
where:
bonds (distance) C4'-P energy: -10.037
bonds (distance) P-C4' energy: -8.150
flat angles C4'-P-C4' energy: -9.210
flat angles P-C4'-P energy: -7.243
tors. eta vs tors. theta energy: -10.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -139.648902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.648902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.648902 (E_RNA)
where:
Base-Base interactions energy: -98.618
where: short stacking energy: -39.952
Base-Backbone interact. energy: -0.196
local terms energy: -40.835113
where:
bonds (distance) C4'-P energy: -10.268
bonds (distance) P-C4' energy: -6.634
flat angles C4'-P-C4' energy: -7.227
flat angles P-C4'-P energy: -5.404
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: 4, replica: 4
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -136.216788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.216788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.216788 (E_RNA)
where:
Base-Base interactions energy: -91.153
where: short stacking energy: -43.450
Base-Backbone interact. energy: -0.001
local terms energy: -45.062784
where:
bonds (distance) C4'-P energy: -9.999
bonds (distance) P-C4' energy: -9.520
flat angles C4'-P-C4' energy: -9.174
flat angles P-C4'-P energy: -7.252
tors. eta vs tors. theta energy: -9.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -137.429502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.429502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.429502 (E_RNA)
where:
Base-Base interactions energy: -87.249
where: short stacking energy: -37.894
Base-Backbone interact. energy: -0.607
local terms energy: -49.573537
where:
bonds (distance) C4'-P energy: -10.988
bonds (distance) P-C4' energy: -11.106
flat angles C4'-P-C4' energy: -10.708
flat angles P-C4'-P energy: -8.247
tors. eta vs tors. theta energy: -8.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -114.137738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.137738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.137738 (E_RNA)
where:
Base-Base interactions energy: -75.934
where: short stacking energy: -39.799
Base-Backbone interact. energy: 2.394
local terms energy: -40.597564
where:
bonds (distance) C4'-P energy: -9.485
bonds (distance) P-C4' energy: -7.199
flat angles C4'-P-C4' energy: -9.537
flat angles P-C4'-P energy: -7.834
tors. eta vs tors. theta energy: -6.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -129.521516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.521516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.521516 (E_RNA)
where:
Base-Base interactions energy: -87.754
where: short stacking energy: -39.879
Base-Backbone interact. energy: -0.001
local terms energy: -41.766152
where:
bonds (distance) C4'-P energy: -8.924
bonds (distance) P-C4' energy: -5.983
flat angles C4'-P-C4' energy: -10.493
flat angles P-C4'-P energy: -5.164
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: 8, replica: 2
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -78.713361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.713361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.713361 (E_RNA)
where:
Base-Base interactions energy: -47.886
where: short stacking energy: -21.923
Base-Backbone interact. energy: -0.148
local terms energy: -30.679951
where:
bonds (distance) C4'-P energy: -6.848
bonds (distance) P-C4' energy: -10.423
flat angles C4'-P-C4' energy: -5.638
flat angles P-C4'-P energy: -4.076
tors. eta vs tors. theta energy: -3.695
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: 8
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -59.878798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.878798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.878798 (E_RNA)
where:
Base-Base interactions energy: -28.832
where: short stacking energy: -25.427
Base-Backbone interact. energy: 0.678
local terms energy: -31.724759
where:
bonds (distance) C4'-P energy: -5.151
bonds (distance) P-C4' energy: -9.112
flat angles C4'-P-C4' energy: -9.967
flat angles P-C4'-P energy: -2.676
tors. eta vs tors. theta energy: -4.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -61.645597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.645597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.645597 (E_RNA)
where:
Base-Base interactions energy: -28.460
where: short stacking energy: -28.460
Base-Backbone interact. energy: -0.000
local terms energy: -33.185423
where:
bonds (distance) C4'-P energy: -8.960
bonds (distance) P-C4' energy: -7.771
flat angles C4'-P-C4' energy: -5.868
flat angles P-C4'-P energy: -4.503
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: 1, replica: 6
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -139.408342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.408342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.408342 (E_RNA)
where:
Base-Base interactions energy: -101.239
where: short stacking energy: -34.282
Base-Backbone interact. energy: -0.108
local terms energy: -38.060826
where:
bonds (distance) C4'-P energy: -8.062
bonds (distance) P-C4' energy: -9.404
flat angles C4'-P-C4' energy: -9.899
flat angles P-C4'-P energy: -4.776
tors. eta vs tors. theta energy: -5.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -134.719410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.719410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.719410 (E_RNA)
where:
Base-Base interactions energy: -101.211
where: short stacking energy: -38.532
Base-Backbone interact. energy: -0.097
local terms energy: -33.411147
where:
bonds (distance) C4'-P energy: -7.442
bonds (distance) P-C4' energy: -10.190
flat angles C4'-P-C4' energy: -8.168
flat angles P-C4'-P energy: -2.890
tors. eta vs tors. theta energy: -4.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -139.447909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.447909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.447909 (E_RNA)
where:
Base-Base interactions energy: -96.134
where: short stacking energy: -46.106
Base-Backbone interact. energy: -1.274
local terms energy: -42.040677
where:
bonds (distance) C4'-P energy: -6.837
bonds (distance) P-C4' energy: -7.757
flat angles C4'-P-C4' energy: -9.523
flat angles P-C4'-P energy: -8.632
tors. eta vs tors. theta energy: -9.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -134.431552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.431552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.431552 (E_RNA)
where:
Base-Base interactions energy: -93.404
where: short stacking energy: -39.712
Base-Backbone interact. energy: -0.501
local terms energy: -40.526926
where:
bonds (distance) C4'-P energy: -6.298
bonds (distance) P-C4' energy: -10.221
flat angles C4'-P-C4' energy: -7.577
flat angles P-C4'-P energy: -5.451
tors. eta vs tors. theta energy: -10.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -133.312687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.312687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.312687 (E_RNA)
where:
Base-Base interactions energy: -89.804
where: short stacking energy: -40.551
Base-Backbone interact. energy: -0.001
local terms energy: -43.507119
where:
bonds (distance) C4'-P energy: -9.254
bonds (distance) P-C4' energy: -9.939
flat angles C4'-P-C4' energy: -6.714
flat angles P-C4'-P energy: -8.807
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: 6, replica: 9
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -135.746264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.746264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.746264 (E_RNA)
where:
Base-Base interactions energy: -93.248
where: short stacking energy: -44.275
Base-Backbone interact. energy: -0.550
local terms energy: -41.947830
where:
bonds (distance) C4'-P energy: -8.902
bonds (distance) P-C4' energy: -9.827
flat angles C4'-P-C4' energy: -7.605
flat angles P-C4'-P energy: -6.764
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: 7, replica: 3
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -122.362981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.362981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.362981 (E_RNA)
where:
Base-Base interactions energy: -86.106
where: short stacking energy: -38.059
Base-Backbone interact. energy: -0.508
local terms energy: -35.748551
where:
bonds (distance) C4'-P energy: -6.724
bonds (distance) P-C4' energy: -9.011
flat angles C4'-P-C4' energy: -8.325
flat angles P-C4'-P energy: -4.325
tors. eta vs tors. theta energy: -7.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -67.487651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.487651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.487651 (E_RNA)
where:
Base-Base interactions energy: -27.932
where: short stacking energy: -27.932
Base-Backbone interact. energy: -0.000
local terms energy: -39.555242
where:
bonds (distance) C4'-P energy: -9.838
bonds (distance) P-C4' energy: -10.221
flat angles C4'-P-C4' energy: -8.686
flat angles P-C4'-P energy: -5.379
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: 9, replica: 2
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -54.382659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.382659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.382659 (E_RNA)
where:
Base-Base interactions energy: -24.677
where: short stacking energy: -21.683
Base-Backbone interact. energy: 0.922
local terms energy: -30.627743
where:
bonds (distance) C4'-P energy: -6.447
bonds (distance) P-C4' energy: -6.801
flat angles C4'-P-C4' energy: -8.487
flat angles P-C4'-P energy: -5.658
tors. eta vs tors. theta energy: -3.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -52.790989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.790989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.790989 (E_RNA)
where:
Base-Base interactions energy: -16.329
where: short stacking energy: -16.329
Base-Backbone interact. energy: -0.077
local terms energy: -36.384392
where:
bonds (distance) C4'-P energy: -9.350
bonds (distance) P-C4' energy: -9.074
flat angles C4'-P-C4' energy: -9.404
flat angles P-C4'-P energy: -5.273
tors. eta vs tors. theta energy: -3.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -138.556610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.556610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.556610 (E_RNA)
where:
Base-Base interactions energy: -104.803
where: short stacking energy: -38.036
Base-Backbone interact. energy: -0.055
local terms energy: -33.698758
where:
bonds (distance) C4'-P energy: -5.938
bonds (distance) P-C4' energy: -5.460
flat angles C4'-P-C4' energy: -9.206
flat angles P-C4'-P energy: -5.485
tors. eta vs tors. theta energy: -7.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -138.903198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.903198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.903198 (E_RNA)
where:
Base-Base interactions energy: -96.844
where: short stacking energy: -41.941
Base-Backbone interact. energy: -0.570
local terms energy: -41.489517
where:
bonds (distance) C4'-P energy: -7.010
bonds (distance) P-C4' energy: -8.641
flat angles C4'-P-C4' energy: -9.289
flat angles P-C4'-P energy: -6.163
tors. eta vs tors. theta energy: -10.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -137.241131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.241131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.241131 (E_RNA)
where:
Base-Base interactions energy: -96.023
where: short stacking energy: -45.445
Base-Backbone interact. energy: -1.677
local terms energy: -39.541385
where:
bonds (distance) C4'-P energy: -5.918
bonds (distance) P-C4' energy: -8.531
flat angles C4'-P-C4' energy: -7.637
flat angles P-C4'-P energy: -8.353
tors. eta vs tors. theta energy: -9.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -135.869926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.869926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.869926 (E_RNA)
where:
Base-Base interactions energy: -96.277
where: short stacking energy: -39.235
Base-Backbone interact. energy: 0.029
local terms energy: -39.622161
where:
bonds (distance) C4'-P energy: -7.983
bonds (distance) P-C4' energy: -6.586
flat angles C4'-P-C4' energy: -9.160
flat angles P-C4'-P energy: -6.726
tors. eta vs tors. theta energy: -9.168
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: 5, replica: 9
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -131.630186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.630186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.630186 (E_RNA)
where:
Base-Base interactions energy: -93.429
where: short stacking energy: -45.412
Base-Backbone interact. energy: -0.014
local terms energy: -38.187052
where:
bonds (distance) C4'-P energy: -6.558
bonds (distance) P-C4' energy: -6.896
flat angles C4'-P-C4' energy: -10.060
flat angles P-C4'-P energy: -4.719
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: 6, replica: 4
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -130.590958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.590958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.590958 (E_RNA)
where:
Base-Base interactions energy: -89.704
where: short stacking energy: -45.163
Base-Backbone interact. energy: -0.027
local terms energy: -40.859988
where:
bonds (distance) C4'-P energy: -9.805
bonds (distance) P-C4' energy: -6.137
flat angles C4'-P-C4' energy: -8.558
flat angles P-C4'-P energy: -6.788
tors. eta vs tors. theta energy: -9.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -134.807600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.807600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.807600 (E_RNA)
where:
Base-Base interactions energy: -90.421
where: short stacking energy: -41.852
Base-Backbone interact. energy: -0.523
local terms energy: -43.863367
where:
bonds (distance) C4'-P energy: -9.921
bonds (distance) P-C4' energy: -9.954
flat angles C4'-P-C4' energy: -8.829
flat angles P-C4'-P energy: -5.817
tors. eta vs tors. theta energy: -9.343
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: 8
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -69.408838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.408838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.408838 (E_RNA)
where:
Base-Base interactions energy: -34.043
where: short stacking energy: -34.043
Base-Backbone interact. energy: -0.148
local terms energy: -35.218455
where:
bonds (distance) C4'-P energy: -9.014
bonds (distance) P-C4' energy: -9.295
flat angles C4'-P-C4' energy: -7.204
flat angles P-C4'-P energy: -5.022
tors. eta vs tors. theta energy: -4.684
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: 10
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -57.989729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.989729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.989729 (E_RNA)
where:
Base-Base interactions energy: -29.779
where: short stacking energy: -22.174
Base-Backbone interact. energy: -0.094
local terms energy: -28.116785
where:
bonds (distance) C4'-P energy: -8.281
bonds (distance) P-C4' energy: -10.582
flat angles C4'-P-C4' energy: -6.804
flat angles P-C4'-P energy: -0.441
tors. eta vs tors. theta energy: -2.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -67.835448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.835448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.835448 (E_RNA)
where:
Base-Base interactions energy: -36.403
where: short stacking energy: -36.403
Base-Backbone interact. energy: -0.004
local terms energy: -31.429118
where:
bonds (distance) C4'-P energy: -5.615
bonds (distance) P-C4' energy: -5.626
flat angles C4'-P-C4' energy: -8.436
flat angles P-C4'-P energy: -3.988
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: 1, replica: 5
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -138.469605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.469605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.469605 (E_RNA)
where:
Base-Base interactions energy: -92.818
where: short stacking energy: -41.975
Base-Backbone interact. energy: -0.002
local terms energy: -45.649376
where:
bonds (distance) C4'-P energy: -8.756
bonds (distance) P-C4' energy: -10.898
flat angles C4'-P-C4' energy: -10.966
flat angles P-C4'-P energy: -6.720
tors. eta vs tors. theta energy: -8.308
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: 2, replica: 7
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -140.255832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.255832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.255832 (E_RNA)
where:
Base-Base interactions energy: -96.770
where: short stacking energy: -45.016
Base-Backbone interact. energy: -0.008
local terms energy: -43.477380
where:
bonds (distance) C4'-P energy: -6.687
bonds (distance) P-C4' energy: -9.954
flat angles C4'-P-C4' energy: -8.824
flat angles P-C4'-P energy: -6.990
tors. eta vs tors. theta energy: -11.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -134.357005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.357005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.357005 (E_RNA)
where:
Base-Base interactions energy: -91.982
where: short stacking energy: -37.404
Base-Backbone interact. energy: -0.037
local terms energy: -42.337693
where:
bonds (distance) C4'-P energy: -7.176
bonds (distance) P-C4' energy: -8.844
flat angles C4'-P-C4' energy: -9.806
flat angles P-C4'-P energy: -6.630
tors. eta vs tors. theta energy: -9.882
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: 4, replica: 9
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -137.278691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.278691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.278691 (E_RNA)
where:
Base-Base interactions energy: -92.281
where: short stacking energy: -41.474
Base-Backbone interact. energy: -1.260
local terms energy: -43.737666
where:
bonds (distance) C4'-P energy: -8.087
bonds (distance) P-C4' energy: -10.337
flat angles C4'-P-C4' energy: -9.923
flat angles P-C4'-P energy: -6.615
tors. eta vs tors. theta energy: -8.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -135.627126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.627126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.627126 (E_RNA)
where:
Base-Base interactions energy: -95.713
where: short stacking energy: -45.966
Base-Backbone interact. energy: -1.228
local terms energy: -38.685951
where:
bonds (distance) C4'-P energy: -7.470
bonds (distance) P-C4' energy: -5.965
flat angles C4'-P-C4' energy: -8.081
flat angles P-C4'-P energy: -7.119
tors. eta vs tors. theta energy: -10.050
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: 3
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -130.125431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.125431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.125431 (E_RNA)
where:
Base-Base interactions energy: -88.548
where: short stacking energy: -43.454
Base-Backbone interact. energy: -0.055
local terms energy: -41.522015
where:
bonds (distance) C4'-P energy: -6.493
bonds (distance) P-C4' energy: -9.049
flat angles C4'-P-C4' energy: -10.026
flat angles P-C4'-P energy: -5.487
tors. eta vs tors. theta energy: -10.466
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: 7, replica: 4
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -127.721805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.721805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.721805 (E_RNA)
where:
Base-Base interactions energy: -86.125
where: short stacking energy: -33.345
Base-Backbone interact. energy: -0.129
local terms energy: -41.467096
where:
bonds (distance) C4'-P energy: -9.663
bonds (distance) P-C4' energy: -9.091
flat angles C4'-P-C4' energy: -10.173
flat angles P-C4'-P energy: -5.134
tors. eta vs tors. theta energy: -7.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -62.644006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.644006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.644006 (E_RNA)
where:
Base-Base interactions energy: -32.592
where: short stacking energy: -32.592
Base-Backbone interact. energy: -0.031
local terms energy: -30.021236
where:
bonds (distance) C4'-P energy: -8.749
bonds (distance) P-C4' energy: -4.170
flat angles C4'-P-C4' energy: -5.035
flat angles P-C4'-P energy: -7.643
tors. eta vs tors. theta energy: -4.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -62.504612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.504612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.504612 (E_RNA)
where:
Base-Base interactions energy: -35.864
where: short stacking energy: -24.281
Base-Backbone interact. energy: -0.109
local terms energy: -26.531320
where:
bonds (distance) C4'-P energy: -8.911
bonds (distance) P-C4' energy: -8.143
flat angles C4'-P-C4' energy: -3.263
flat angles P-C4'-P energy: -1.056
tors. eta vs tors. theta energy: -5.159
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: 10, replica: 2
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -61.783939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.783939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.783939 (E_RNA)
where:
Base-Base interactions energy: -34.699
where: short stacking energy: -27.529
Base-Backbone interact. energy: 1.646
local terms energy: -28.730916
where:
bonds (distance) C4'-P energy: -4.290
bonds (distance) P-C4' energy: -3.962
flat angles C4'-P-C4' energy: -10.684
flat angles P-C4'-P energy: -2.903
tors. eta vs tors. theta energy: -6.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -140.404181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.404181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.404181 (E_RNA)
where:
Base-Base interactions energy: -99.012
where: short stacking energy: -46.962
Base-Backbone interact. energy: -1.288
local terms energy: -40.103656
where:
bonds (distance) C4'-P energy: -5.487
bonds (distance) P-C4' energy: -8.963
flat angles C4'-P-C4' energy: -7.673
flat angles P-C4'-P energy: -7.009
tors. eta vs tors. theta energy: -10.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -134.920687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.920687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.920687 (E_RNA)
where:
Base-Base interactions energy: -93.394
where: short stacking energy: -44.208
Base-Backbone interact. energy: 0.143
local terms energy: -41.669493
where:
bonds (distance) C4'-P energy: -4.265
bonds (distance) P-C4' energy: -9.619
flat angles C4'-P-C4' energy: -10.261
flat angles P-C4'-P energy: -9.204
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: 3, replica: 9
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -137.131334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.131334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.131334 (E_RNA)
where:
Base-Base interactions energy: -97.536
where: short stacking energy: -43.445
Base-Backbone interact. energy: -0.003
local terms energy: -39.592453
where:
bonds (distance) C4'-P energy: -8.844
bonds (distance) P-C4' energy: -9.277
flat angles C4'-P-C4' energy: -9.534
flat angles P-C4'-P energy: -4.817
tors. eta vs tors. theta energy: -7.120
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: 12
Temperature: 1.050000
Total energy: -130.618400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.618400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.618400 (E_RNA)
where:
Base-Base interactions energy: -95.318
where: short stacking energy: -36.348
Base-Backbone interact. energy: -0.124
local terms energy: -35.175963
where:
bonds (distance) C4'-P energy: -7.429
bonds (distance) P-C4' energy: -10.609
flat angles C4'-P-C4' energy: -6.540
flat angles P-C4'-P energy: -4.120
tors. eta vs tors. theta energy: -6.478
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: 3
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -130.555729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.555729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.555729 (E_RNA)
where:
Base-Base interactions energy: -89.278
where: short stacking energy: -39.305
Base-Backbone interact. energy: 0.379
local terms energy: -41.655935
where:
bonds (distance) C4'-P energy: -8.248
bonds (distance) P-C4' energy: -10.221
flat angles C4'-P-C4' energy: -8.711
flat angles P-C4'-P energy: -4.649
tors. eta vs tors. theta energy: -9.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -132.325856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.325856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.325856 (E_RNA)
where:
Base-Base interactions energy: -90.398
where: short stacking energy: -41.448
Base-Backbone interact. energy: -0.004
local terms energy: -41.923970
where:
bonds (distance) C4'-P energy: -8.090
bonds (distance) P-C4' energy: -10.317
flat angles C4'-P-C4' energy: -8.856
flat angles P-C4'-P energy: -4.908
tors. eta vs tors. theta energy: -9.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -132.067059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.067059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.067059 (E_RNA)
where:
Base-Base interactions energy: -93.048
where: short stacking energy: -45.807
Base-Backbone interact. energy: -0.597
local terms energy: -38.422042
where:
bonds (distance) C4'-P energy: -3.916
bonds (distance) P-C4' energy: -9.460
flat angles C4'-P-C4' energy: -10.192
flat angles P-C4'-P energy: -5.803
tors. eta vs tors. theta energy: -9.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -71.569820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.569820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.569820 (E_RNA)
where:
Base-Base interactions energy: -36.415
where: short stacking energy: -27.653
Base-Backbone interact. energy: -0.025
local terms energy: -35.129472
where:
bonds (distance) C4'-P energy: -9.601
bonds (distance) P-C4' energy: -10.451
flat angles C4'-P-C4' energy: -9.809
flat angles P-C4'-P energy: -2.087
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: 9, replica: 8
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -61.361144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.361144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.361144 (E_RNA)
where:
Base-Base interactions energy: -27.124
where: short stacking energy: -27.124
Base-Backbone interact. energy: -0.115
local terms energy: -34.122023
where:
bonds (distance) C4'-P energy: -5.429
bonds (distance) P-C4' energy: -9.718
flat angles C4'-P-C4' energy: -7.598
flat angles P-C4'-P energy: -7.246
tors. eta vs tors. theta energy: -4.131
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: 12
Temperature: 1.350000
Total energy: -73.063358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.063358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.063358 (E_RNA)
where:
Base-Base interactions energy: -43.802
where: short stacking energy: -18.160
Base-Backbone interact. energy: -0.309
local terms energy: -28.952788
where:
bonds (distance) C4'-P energy: -6.104
bonds (distance) P-C4' energy: -7.487
flat angles C4'-P-C4' energy: -6.850
flat angles P-C4'-P energy: -4.126
tors. eta vs tors. theta energy: -4.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -142.433236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.433236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.433236 (E_RNA)
where:
Base-Base interactions energy: -99.140
where: short stacking energy: -47.581
Base-Backbone interact. energy: -1.172
local terms energy: -42.121103
where:
bonds (distance) C4'-P energy: -7.656
bonds (distance) P-C4' energy: -9.418
flat angles C4'-P-C4' energy: -10.267
flat angles P-C4'-P energy: -6.222
tors. eta vs tors. theta energy: -8.558
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: 2, replica: 9
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -141.524304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.524304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.524304 (E_RNA)
where:
Base-Base interactions energy: -93.217
where: short stacking energy: -43.711
Base-Backbone interact. energy: -0.942
local terms energy: -47.366170
where:
bonds (distance) C4'-P energy: -10.028
bonds (distance) P-C4' energy: -10.211
flat angles C4'-P-C4' energy: -10.321
flat angles P-C4'-P energy: -6.552
tors. eta vs tors. theta energy: -10.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -137.758725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.758725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.758725 (E_RNA)
where:
Base-Base interactions energy: -94.083
where: short stacking energy: -43.578
Base-Backbone interact. energy: -0.022
local terms energy: -43.653683
where:
bonds (distance) C4'-P energy: -8.529
bonds (distance) P-C4' energy: -9.358
flat angles C4'-P-C4' energy: -9.174
flat angles P-C4'-P energy: -6.394
tors. eta vs tors. theta energy: -10.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -138.505123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.505123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.505123 (E_RNA)
where:
Base-Base interactions energy: -91.837
where: short stacking energy: -42.278
Base-Backbone interact. energy: -1.415
local terms energy: -45.253822
where:
bonds (distance) C4'-P energy: -8.798
bonds (distance) P-C4' energy: -9.492
flat angles C4'-P-C4' energy: -8.548
flat angles P-C4'-P energy: -7.652
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: 6
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -134.041075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.041075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.041075 (E_RNA)
where:
Base-Base interactions energy: -91.691
where: short stacking energy: -40.878
Base-Backbone interact. energy: -0.325
local terms energy: -42.025405
where:
bonds (distance) C4'-P energy: -6.009
bonds (distance) P-C4' energy: -9.954
flat angles C4'-P-C4' energy: -9.570
flat angles P-C4'-P energy: -5.498
tors. eta vs tors. theta energy: -10.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -130.228281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.228281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.228281 (E_RNA)
where:
Base-Base interactions energy: -90.966
where: short stacking energy: -40.313
Base-Backbone interact. energy: -1.706
local terms energy: -37.556228
where:
bonds (distance) C4'-P energy: -7.305
bonds (distance) P-C4' energy: -9.338
flat angles C4'-P-C4' energy: -8.388
flat angles P-C4'-P energy: -6.180
tors. eta vs tors. theta energy: -6.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -131.570742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.570742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.570742 (E_RNA)
where:
Base-Base interactions energy: -91.380
where: short stacking energy: -42.797
Base-Backbone interact. energy: -0.013
local terms energy: -40.177784
where:
bonds (distance) C4'-P energy: -9.167
bonds (distance) P-C4' energy: -7.506
flat angles C4'-P-C4' energy: -9.032
flat angles P-C4'-P energy: -5.262
tors. eta vs tors. theta energy: -9.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -59.347562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.347562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.347562 (E_RNA)
where:
Base-Base interactions energy: -26.734
where: short stacking energy: -23.703
Base-Backbone interact. energy: -0.014
local terms energy: -32.599779
where:
bonds (distance) C4'-P energy: -8.849
bonds (distance) P-C4' energy: -9.203
flat angles C4'-P-C4' energy: -6.803
flat angles P-C4'-P energy: -5.226
tors. eta vs tors. theta energy: -2.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -63.313039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.313039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.313039 (E_RNA)
where:
Base-Base interactions energy: -37.186
where: short stacking energy: -21.557
Base-Backbone interact. energy: -0.013
local terms energy: -26.114115
where:
bonds (distance) C4'-P energy: -6.504
bonds (distance) P-C4' energy: -9.018
flat angles C4'-P-C4' energy: -8.770
flat angles P-C4'-P energy: 0.357
tors. eta vs tors. theta energy: -2.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -53.971586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.971586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.971586 (E_RNA)
where:
Base-Base interactions energy: -26.009
where: short stacking energy: -26.009
Base-Backbone interact. energy: -0.033
local terms energy: -27.929464
where:
bonds (distance) C4'-P energy: -3.856
bonds (distance) P-C4' energy: -5.494
flat angles C4'-P-C4' energy: -6.727
flat angles P-C4'-P energy: -7.253
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: 9
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -141.207567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.207567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.207567 (E_RNA)
where:
Base-Base interactions energy: -98.729
where: short stacking energy: -45.274
Base-Backbone interact. energy: -0.052
local terms energy: -42.426552
where:
bonds (distance) C4'-P energy: -7.217
bonds (distance) P-C4' energy: -10.849
flat angles C4'-P-C4' energy: -10.422
flat angles P-C4'-P energy: -4.430
tors. eta vs tors. theta energy: -9.509
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: 7
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -140.301862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.301862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.301862 (E_RNA)
where:
Base-Base interactions energy: -92.707
where: short stacking energy: -42.015
Base-Backbone interact. energy: -0.268
local terms energy: -47.326425
where:
bonds (distance) C4'-P energy: -9.937
bonds (distance) P-C4' energy: -11.603
flat angles C4'-P-C4' energy: -9.127
flat angles P-C4'-P energy: -8.022
tors. eta vs tors. theta energy: -8.637
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: 3
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -142.120054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.120054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.120054 (E_RNA)
where:
Base-Base interactions energy: -93.205
where: short stacking energy: -43.350
Base-Backbone interact. energy: -0.990
local terms energy: -47.925189
where:
bonds (distance) C4'-P energy: -8.620
bonds (distance) P-C4' energy: -9.886
flat angles C4'-P-C4' energy: -9.800
flat angles P-C4'-P energy: -7.744
tors. eta vs tors. theta energy: -11.875
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: 14
Temperature: 1.050000
Total energy: -139.195146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.195146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.195146 (E_RNA)
where:
Base-Base interactions energy: -93.500
where: short stacking energy: -44.245
Base-Backbone interact. energy: -1.174
local terms energy: -44.521276
where:
bonds (distance) C4'-P energy: -6.778
bonds (distance) P-C4' energy: -10.032
flat angles C4'-P-C4' energy: -10.551
flat angles P-C4'-P energy: -5.924
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: 5, replica: 6
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -133.120537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.120537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.120537 (E_RNA)
where:
Base-Base interactions energy: -93.885
where: short stacking energy: -41.570
Base-Backbone interact. energy: -1.410
local terms energy: -37.825510
where:
bonds (distance) C4'-P energy: -8.826
bonds (distance) P-C4' energy: -8.489
flat angles C4'-P-C4' energy: -8.534
flat angles P-C4'-P energy: -5.491
tors. eta vs tors. theta energy: -6.485
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: 4
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -136.785095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.785095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.785095 (E_RNA)
where:
Base-Base interactions energy: -93.722
where: short stacking energy: -44.285
Base-Backbone interact. energy: -0.001
local terms energy: -43.062396
where:
bonds (distance) C4'-P energy: -8.890
bonds (distance) P-C4' energy: -9.162
flat angles C4'-P-C4' energy: -8.456
flat angles P-C4'-P energy: -6.262
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: 1
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -122.402158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.402158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.402158 (E_RNA)
where:
Base-Base interactions energy: -86.966
where: short stacking energy: -39.973
Base-Backbone interact. energy: -0.088
local terms energy: -35.347712
where:
bonds (distance) C4'-P energy: -7.655
bonds (distance) P-C4' energy: -7.346
flat angles C4'-P-C4' energy: -8.583
flat angles P-C4'-P energy: -5.273
tors. eta vs tors. theta energy: -6.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -65.776737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.776737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.776737 (E_RNA)
where:
Base-Base interactions energy: -35.567
where: short stacking energy: -20.161
Base-Backbone interact. energy: -0.005
local terms energy: -30.204584
where:
bonds (distance) C4'-P energy: -8.997
bonds (distance) P-C4' energy: -9.761
flat angles C4'-P-C4' energy: -3.103
flat angles P-C4'-P energy: -4.127
tors. eta vs tors. theta energy: -4.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -56.445529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.445529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.445529 (E_RNA)
where:
Base-Base interactions energy: -27.285
where: short stacking energy: -27.285
Base-Backbone interact. energy: -0.249
local terms energy: -28.911358
where:
bonds (distance) C4'-P energy: -7.485
bonds (distance) P-C4' energy: -9.355
flat angles C4'-P-C4' energy: -5.243
flat angles P-C4'-P energy: -6.444
tors. eta vs tors. theta energy: -0.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -52.619505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.619505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.619505 (E_RNA)
where:
Base-Base interactions energy: -23.924
where: short stacking energy: -21.486
Base-Backbone interact. energy: -0.101
local terms energy: -28.593909
where:
bonds (distance) C4'-P energy: -3.731
bonds (distance) P-C4' energy: -8.609
flat angles C4'-P-C4' energy: -8.924
flat angles P-C4'-P energy: -2.405
tors. eta vs tors. theta energy: -4.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -142.503993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.503993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.503993 (E_RNA)
where:
Base-Base interactions energy: -98.164
where: short stacking energy: -44.436
Base-Backbone interact. energy: -0.533
local terms energy: -43.806661
where:
bonds (distance) C4'-P energy: -9.830
bonds (distance) P-C4' energy: -10.035
flat angles C4'-P-C4' energy: -8.234
flat angles P-C4'-P energy: -6.069
tors. eta vs tors. theta energy: -9.639
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: 3
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -144.994353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.994353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.994353 (E_RNA)
where:
Base-Base interactions energy: -95.346
where: short stacking energy: -42.733
Base-Backbone interact. energy: -1.364
local terms energy: -48.284676
where:
bonds (distance) C4'-P energy: -9.601
bonds (distance) P-C4' energy: -10.906
flat angles C4'-P-C4' energy: -10.196
flat angles P-C4'-P energy: -7.008
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: 3, replica: 7
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -136.472018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.472018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.472018 (E_RNA)
where:
Base-Base interactions energy: -96.854
where: short stacking energy: -46.809
Base-Backbone interact. energy: -0.026
local terms energy: -39.591571
where:
bonds (distance) C4'-P energy: -7.051
bonds (distance) P-C4' energy: -8.034
flat angles C4'-P-C4' energy: -9.775
flat angles P-C4'-P energy: -5.969
tors. eta vs tors. theta energy: -8.764
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: 4, replica: 6
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -134.180709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.180709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.180709 (E_RNA)
where:
Base-Base interactions energy: -84.324
where: short stacking energy: -38.307
Base-Backbone interact. energy: -0.655
local terms energy: -49.201482
where:
bonds (distance) C4'-P energy: -9.859
bonds (distance) P-C4' energy: -10.873
flat angles C4'-P-C4' energy: -11.041
flat angles P-C4'-P energy: -6.842
tors. eta vs tors. theta energy: -10.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -138.562146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.562146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.562146 (E_RNA)
where:
Base-Base interactions energy: -96.351
where: short stacking energy: -43.617
Base-Backbone interact. energy: -0.002
local terms energy: -42.209007
where:
bonds (distance) C4'-P energy: -7.404
bonds (distance) P-C4' energy: -8.923
flat angles C4'-P-C4' energy: -11.013
flat angles P-C4'-P energy: -5.986
tors. eta vs tors. theta energy: -8.883
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: 4
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -133.671775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.671775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.671775 (E_RNA)
where:
Base-Base interactions energy: -91.536
where: short stacking energy: -42.594
Base-Backbone interact. energy: -1.210
local terms energy: -40.925841
where:
bonds (distance) C4'-P energy: -8.090
bonds (distance) P-C4' energy: -9.016
flat angles C4'-P-C4' energy: -7.832
flat angles P-C4'-P energy: -8.075
tors. eta vs tors. theta energy: -7.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -134.620520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.620520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.620520 (E_RNA)
where:
Base-Base interactions energy: -93.254
where: short stacking energy: -41.067
Base-Backbone interact. energy: -1.011
local terms energy: -40.356131
where:
bonds (distance) C4'-P energy: -5.486
bonds (distance) P-C4' energy: -9.060
flat angles C4'-P-C4' energy: -10.014
flat angles P-C4'-P energy: -7.436
tors. eta vs tors. theta energy: -8.361
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: 10
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -68.407494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.407494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.407494 (E_RNA)
where:
Base-Base interactions energy: -34.531
where: short stacking energy: -29.822
Base-Backbone interact. energy: -0.090
local terms energy: -33.786631
where:
bonds (distance) C4'-P energy: -7.949
bonds (distance) P-C4' energy: -6.594
flat angles C4'-P-C4' energy: -4.707
flat angles P-C4'-P energy: -8.101
tors. eta vs tors. theta energy: -6.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -63.667116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.667116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.667116 (E_RNA)
where:
Base-Base interactions energy: -31.003
where: short stacking energy: -31.003
Base-Backbone interact. energy: -0.010
local terms energy: -32.653735
where:
bonds (distance) C4'-P energy: -5.424
bonds (distance) P-C4' energy: -9.340
flat angles C4'-P-C4' energy: -7.298
flat angles P-C4'-P energy: -4.675
tors. eta vs tors. theta energy: -5.916
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: 15
Temperature: 1.350000
Total energy: -61.942872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.942872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.942872 (E_RNA)
where:
Base-Base interactions energy: -27.650
where: short stacking energy: -27.650
Base-Backbone interact. energy: -0.075
local terms energy: -34.218025
where:
bonds (distance) C4'-P energy: -8.811
bonds (distance) P-C4' energy: -9.714
flat angles C4'-P-C4' energy: -6.541
flat angles P-C4'-P energy: -2.496
tors. eta vs tors. theta energy: -6.656
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: 9
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -141.482461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.482461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.482461 (E_RNA)
where:
Base-Base interactions energy: -96.225
where: short stacking energy: -45.079
Base-Backbone interact. energy: -1.371
local terms energy: -43.886052
where:
bonds (distance) C4'-P energy: -8.384
bonds (distance) P-C4' energy: -11.106
flat angles C4'-P-C4' energy: -9.255
flat angles P-C4'-P energy: -6.330
tors. eta vs tors. theta energy: -8.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -141.736217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.736217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.736217 (E_RNA)
where:
Base-Base interactions energy: -99.352
where: short stacking energy: -47.031
Base-Backbone interact. energy: -0.851
local terms energy: -41.533667
where:
bonds (distance) C4'-P energy: -8.124
bonds (distance) P-C4' energy: -8.224
flat angles C4'-P-C4' energy: -9.731
flat angles P-C4'-P energy: -6.419
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: 3, replica: 6
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -137.968230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.968230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.968230 (E_RNA)
where:
Base-Base interactions energy: -95.630
where: short stacking energy: -44.501
Base-Backbone interact. energy: -0.274
local terms energy: -42.064648
where:
bonds (distance) C4'-P energy: -8.728
bonds (distance) P-C4' energy: -9.313
flat angles C4'-P-C4' energy: -10.565
flat angles P-C4'-P energy: -3.803
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: 4, replica: 7
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -137.576851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.576851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.576851 (E_RNA)
where:
Base-Base interactions energy: -94.763
where: short stacking energy: -45.316
Base-Backbone interact. energy: -0.503
local terms energy: -42.311271
where:
bonds (distance) C4'-P energy: -10.330
bonds (distance) P-C4' energy: -10.619
flat angles C4'-P-C4' energy: -8.097
flat angles P-C4'-P energy: -5.571
tors. eta vs tors. theta energy: -7.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -129.700244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.700244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.700244 (E_RNA)
where:
Base-Base interactions energy: -90.525
where: short stacking energy: -39.317
Base-Backbone interact. energy: -0.024
local terms energy: -39.151061
where:
bonds (distance) C4'-P energy: -8.297
bonds (distance) P-C4' energy: -8.690
flat angles C4'-P-C4' energy: -8.889
flat angles P-C4'-P energy: -5.201
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: 5
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -124.232538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.232538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.232538 (E_RNA)
where:
Base-Base interactions energy: -86.206
where: short stacking energy: -34.855
Base-Backbone interact. energy: -1.054
local terms energy: -36.972467
where:
bonds (distance) C4'-P energy: -7.250
bonds (distance) P-C4' energy: -9.429
flat angles C4'-P-C4' energy: -6.999
flat angles P-C4'-P energy: -6.496
tors. eta vs tors. theta energy: -6.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -74.398723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.398723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.398723 (E_RNA)
where:
Base-Base interactions energy: -40.357
where: short stacking energy: -30.273
Base-Backbone interact. energy: -0.095
local terms energy: -33.946955
where:
bonds (distance) C4'-P energy: -6.802
bonds (distance) P-C4' energy: -8.889
flat angles C4'-P-C4' energy: -9.742
flat angles P-C4'-P energy: -6.369
tors. eta vs tors. theta energy: -2.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -131.219478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.219478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.219478 (E_RNA)
where:
Base-Base interactions energy: -92.490
where: short stacking energy: -43.849
Base-Backbone interact. energy: -0.001
local terms energy: -38.728404
where:
bonds (distance) C4'-P energy: -7.793
bonds (distance) P-C4' energy: -8.450
flat angles C4'-P-C4' energy: -8.025
flat angles P-C4'-P energy: -5.405
tors. eta vs tors. theta energy: -9.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -70.053024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.053024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.053024 (E_RNA)
where:
Base-Base interactions energy: -38.422
where: short stacking energy: -29.994
Base-Backbone interact. energy: -0.080
local terms energy: -31.551736
where:
bonds (distance) C4'-P energy: -4.995
bonds (distance) P-C4' energy: -9.503
flat angles C4'-P-C4' energy: -7.660
flat angles P-C4'-P energy: -5.944
tors. eta vs tors. theta energy: -3.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -50.995140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.995140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.995140 (E_RNA)
where:
Base-Base interactions energy: -29.841
where: short stacking energy: -21.406
Base-Backbone interact. energy: 2.575
local terms energy: -23.729070
where:
bonds (distance) C4'-P energy: -2.750
bonds (distance) P-C4' energy: -6.107
flat angles C4'-P-C4' energy: -9.343
flat angles P-C4'-P energy: -4.250
tors. eta vs tors. theta energy: -1.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -141.038111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.038111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.038111 (E_RNA)
where:
Base-Base interactions energy: -95.083
where: short stacking energy: -42.279
Base-Backbone interact. energy: -2.109
local terms energy: -43.845471
where:
bonds (distance) C4'-P energy: -9.787
bonds (distance) P-C4' energy: -10.644
flat angles C4'-P-C4' energy: -6.485
flat angles P-C4'-P energy: -6.909
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: 2, replica: 3
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -136.829991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.829991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.829991 (E_RNA)
where:
Base-Base interactions energy: -94.402
where: short stacking energy: -45.695
Base-Backbone interact. energy: -2.027
local terms energy: -40.401017
where:
bonds (distance) C4'-P energy: -10.446
bonds (distance) P-C4' energy: -8.150
flat angles C4'-P-C4' energy: -7.498
flat angles P-C4'-P energy: -4.238
tors. eta vs tors. theta energy: -10.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -138.752045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.752045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.752045 (E_RNA)
where:
Base-Base interactions energy: -93.741
where: short stacking energy: -42.488
Base-Backbone interact. energy: -1.131
local terms energy: -43.880955
where:
bonds (distance) C4'-P energy: -9.515
bonds (distance) P-C4' energy: -7.486
flat angles C4'-P-C4' energy: -9.278
flat angles P-C4'-P energy: -7.789
tors. eta vs tors. theta energy: -9.814
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: 4
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -139.806882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.806882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.806882 (E_RNA)
where:
Base-Base interactions energy: -98.474
where: short stacking energy: -46.543
Base-Backbone interact. energy: -2.027
local terms energy: -39.305631
where:
bonds (distance) C4'-P energy: -5.864
bonds (distance) P-C4' energy: -6.484
flat angles C4'-P-C4' energy: -9.262
flat angles P-C4'-P energy: -8.196
tors. eta vs tors. theta energy: -9.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -130.979111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.979111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.979111 (E_RNA)
where:
Base-Base interactions energy: -94.934
where: short stacking energy: -40.749
Base-Backbone interact. energy: -0.002
local terms energy: -36.043360
where:
bonds (distance) C4'-P energy: -9.051
bonds (distance) P-C4' energy: -7.060
flat angles C4'-P-C4' energy: -8.541
flat angles P-C4'-P energy: -4.998
tors. eta vs tors. theta energy: -6.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -128.671630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.671630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.671630 (E_RNA)
where:
Base-Base interactions energy: -94.569
where: short stacking energy: -45.424
Base-Backbone interact. energy: -0.046
local terms energy: -34.056941
where:
bonds (distance) C4'-P energy: -5.913
bonds (distance) P-C4' energy: -7.880
flat angles C4'-P-C4' energy: -7.101
flat angles P-C4'-P energy: -4.131
tors. eta vs tors. theta energy: -9.033
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: 10
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -85.678336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.678336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.678336 (E_RNA)
where:
Base-Base interactions energy: -47.048
where: short stacking energy: -37.138
Base-Backbone interact. energy: 0.638
local terms energy: -39.267971
where:
bonds (distance) C4'-P energy: -9.441
bonds (distance) P-C4' energy: -7.175
flat angles C4'-P-C4' energy: -9.723
flat angles P-C4'-P energy: -5.768
tors. eta vs tors. theta energy: -7.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -121.457701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.457701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.457701 (E_RNA)
where:
Base-Base interactions energy: -85.284
where: short stacking energy: -37.663
Base-Backbone interact. energy: -0.805
local terms energy: -35.368793
where:
bonds (distance) C4'-P energy: -8.662
bonds (distance) P-C4' energy: -8.237
flat angles C4'-P-C4' energy: -7.807
flat angles P-C4'-P energy: -4.590
tors. eta vs tors. theta energy: -6.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -68.002129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.002129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.002129 (E_RNA)
where:
Base-Base interactions energy: -37.943
where: short stacking energy: -17.540
Base-Backbone interact. energy: -0.049
local terms energy: -30.010047
where:
bonds (distance) C4'-P energy: -7.172
bonds (distance) P-C4' energy: -8.287
flat angles C4'-P-C4' energy: -9.203
flat angles P-C4'-P energy: -3.970
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: 8
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -56.119123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.119123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.119123 (E_RNA)
where:
Base-Base interactions energy: -22.882
where: short stacking energy: -22.882
Base-Backbone interact. energy: -0.015
local terms energy: -33.222027
where:
bonds (distance) C4'-P energy: -9.982
bonds (distance) P-C4' energy: -10.419
flat angles C4'-P-C4' energy: -8.392
flat angles P-C4'-P energy: -0.270
tors. eta vs tors. theta energy: -4.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -142.785616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.785616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.785616 (E_RNA)
where:
Base-Base interactions energy: -97.922
where: short stacking energy: -45.417
Base-Backbone interact. energy: -0.609
local terms energy: -44.254766
where:
bonds (distance) C4'-P energy: -6.626
bonds (distance) P-C4' energy: -10.097
flat angles C4'-P-C4' energy: -7.146
flat angles P-C4'-P energy: -8.301
tors. eta vs tors. theta energy: -12.085
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: 3
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -140.891018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.891018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.891018 (E_RNA)
where:
Base-Base interactions energy: -96.291
where: short stacking energy: -45.722
Base-Backbone interact. energy: -0.914
local terms energy: -43.685546
where:
bonds (distance) C4'-P energy: -6.421
bonds (distance) P-C4' energy: -11.360
flat angles C4'-P-C4' energy: -9.409
flat angles P-C4'-P energy: -6.086
tors. eta vs tors. theta energy: -10.409
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: 4
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -138.516038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.516038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.516038 (E_RNA)
where:
Base-Base interactions energy: -91.953
where: short stacking energy: -44.186
Base-Backbone interact. energy: -0.815
local terms energy: -45.747742
where:
bonds (distance) C4'-P energy: -8.923
bonds (distance) P-C4' energy: -10.609
flat angles C4'-P-C4' energy: -9.163
flat angles P-C4'-P energy: -7.445
tors. eta vs tors. theta energy: -9.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -134.574043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.574043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.574043 (E_RNA)
where:
Base-Base interactions energy: -88.033
where: short stacking energy: -41.434
Base-Backbone interact. energy: -0.046
local terms energy: -46.494825
where:
bonds (distance) C4'-P energy: -10.231
bonds (distance) P-C4' energy: -10.619
flat angles C4'-P-C4' energy: -11.104
flat angles P-C4'-P energy: -4.620
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: 5, replica: 5
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -125.966950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.966950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.966950 (E_RNA)
where:
Base-Base interactions energy: -90.159
where: short stacking energy: -38.552
Base-Backbone interact. energy: -0.291
local terms energy: -35.517455
where:
bonds (distance) C4'-P energy: -7.345
bonds (distance) P-C4' energy: -8.908
flat angles C4'-P-C4' energy: -6.110
flat angles P-C4'-P energy: -6.775
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: 6, replica: 7
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -126.970279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.970279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.970279 (E_RNA)
where:
Base-Base interactions energy: -86.580
where: short stacking energy: -37.259
Base-Backbone interact. energy: -0.004
local terms energy: -40.386124
where:
bonds (distance) C4'-P energy: -7.825
bonds (distance) P-C4' energy: -9.333
flat angles C4'-P-C4' energy: -8.909
flat angles P-C4'-P energy: -7.812
tors. eta vs tors. theta energy: -6.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -127.762884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.762884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.762884 (E_RNA)
where:
Base-Base interactions energy: -87.651
where: short stacking energy: -35.697
Base-Backbone interact. energy: -0.059
local terms energy: -40.052296
where:
bonds (distance) C4'-P energy: -9.490
bonds (distance) P-C4' energy: -10.670
flat angles C4'-P-C4' energy: -4.517
flat angles P-C4'-P energy: -7.314
tors. eta vs tors. theta energy: -8.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -77.020113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.020113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.020113 (E_RNA)
where:
Base-Base interactions energy: -40.857
where: short stacking energy: -21.134
Base-Backbone interact. energy: -0.019
local terms energy: -36.144291
where:
bonds (distance) C4'-P energy: -8.066
bonds (distance) P-C4' energy: -10.652
flat angles C4'-P-C4' energy: -8.658
flat angles P-C4'-P energy: -5.355
tors. eta vs tors. theta energy: -3.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -67.906984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.906984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.906984 (E_RNA)
where:
Base-Base interactions energy: -35.665
where: short stacking energy: -30.966
Base-Backbone interact. energy: -0.097
local terms energy: -32.145844
where:
bonds (distance) C4'-P energy: -8.844
bonds (distance) P-C4' energy: -8.203
flat angles C4'-P-C4' energy: -7.194
flat angles P-C4'-P energy: -6.908
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: 10, replica: 2
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -49.370184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.370184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.370184 (E_RNA)
where:
Base-Base interactions energy: -23.744
where: short stacking energy: -13.260
Base-Backbone interact. energy: 0.485
local terms energy: -26.111276
where:
bonds (distance) C4'-P energy: -7.200
bonds (distance) P-C4' energy: -7.812
flat angles C4'-P-C4' energy: -8.443
flat angles P-C4'-P energy: -1.820
tors. eta vs tors. theta energy: -0.837
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: 9
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -143.209753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.209753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.209753 (E_RNA)
where:
Base-Base interactions energy: -95.976
where: short stacking energy: -44.448
Base-Backbone interact. energy: -1.252
local terms energy: -45.982014
where:
bonds (distance) C4'-P energy: -9.424
bonds (distance) P-C4' energy: -9.743
flat angles C4'-P-C4' energy: -9.673
flat angles P-C4'-P energy: -7.433
tors. eta vs tors. theta energy: -9.710
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: 19
Temperature: 0.950000
Total energy: -140.817864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.817864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.817864 (E_RNA)
where:
Base-Base interactions energy: -96.929
where: short stacking energy: -45.517
Base-Backbone interact. energy: -1.231
local terms energy: -42.657909
where:
bonds (distance) C4'-P energy: -9.415
bonds (distance) P-C4' energy: -8.104
flat angles C4'-P-C4' energy: -7.908
flat angles P-C4'-P energy: -7.976
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: 3, replica: 3
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -137.415259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.415259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.415259 (E_RNA)
where:
Base-Base interactions energy: -94.983
where: short stacking energy: -42.283
Base-Backbone interact. energy: -0.618
local terms energy: -41.814478
where:
bonds (distance) C4'-P energy: -10.454
bonds (distance) P-C4' energy: -6.634
flat angles C4'-P-C4' energy: -9.766
flat angles P-C4'-P energy: -6.038
tors. eta vs tors. theta energy: -8.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -138.275311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.275311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.275311 (E_RNA)
where:
Base-Base interactions energy: -97.998
where: short stacking energy: -36.652
Base-Backbone interact. energy: -0.045
local terms energy: -40.231748
where:
bonds (distance) C4'-P energy: -9.064
bonds (distance) P-C4' energy: -8.373
flat angles C4'-P-C4' energy: -9.898
flat angles P-C4'-P energy: -3.407
tors. eta vs tors. theta energy: -9.490
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: 6
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -137.429885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.429885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.429885 (E_RNA)
where:
Base-Base interactions energy: -95.068
where: short stacking energy: -43.921
Base-Backbone interact. energy: -0.000
local terms energy: -42.361552
where:
bonds (distance) C4'-P energy: -8.827
bonds (distance) P-C4' energy: -9.997
flat angles C4'-P-C4' energy: -7.044
flat angles P-C4'-P energy: -6.449
tors. eta vs tors. theta energy: -10.045
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: 1
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -135.667962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.667962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.667962 (E_RNA)
where:
Base-Base interactions energy: -91.231
where: short stacking energy: -43.063
Base-Backbone interact. energy: -0.069
local terms energy: -44.367203
where:
bonds (distance) C4'-P energy: -9.441
bonds (distance) P-C4' energy: -9.085
flat angles C4'-P-C4' energy: -9.731
flat angles P-C4'-P energy: -6.606
tors. eta vs tors. theta energy: -9.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -120.519292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.519292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.519292 (E_RNA)
where:
Base-Base interactions energy: -90.451
where: short stacking energy: -35.900
Base-Backbone interact. energy: -0.034
local terms energy: -30.034930
where:
bonds (distance) C4'-P energy: -7.171
bonds (distance) P-C4' energy: -7.445
flat angles C4'-P-C4' energy: -5.705
flat angles P-C4'-P energy: -1.607
tors. eta vs tors. theta energy: -8.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -74.802592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.802592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.802592 (E_RNA)
where:
Base-Base interactions energy: -35.258
where: short stacking energy: -35.075
Base-Backbone interact. energy: -0.007
local terms energy: -39.537634
where:
bonds (distance) C4'-P energy: -7.433
bonds (distance) P-C4' energy: -10.190
flat angles C4'-P-C4' energy: -9.610
flat angles P-C4'-P energy: -2.197
tors. eta vs tors. theta energy: -10.109
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: 19
Temperature: 1.300000
Total energy: -51.012738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.012738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.012738 (E_RNA)
where:
Base-Base interactions energy: -24.347
where: short stacking energy: -24.347
Base-Backbone interact. energy: -0.045
local terms energy: -26.620934
where:
bonds (distance) C4'-P energy: -4.533
bonds (distance) P-C4' energy: -9.531
flat angles C4'-P-C4' energy: -6.463
flat angles P-C4'-P energy: -3.586
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: 2
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -58.713791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.713791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.713791 (E_RNA)
where:
Base-Base interactions energy: -25.169
where: short stacking energy: -25.169
Base-Backbone interact. energy: -0.009
local terms energy: -33.535549
where:
bonds (distance) C4'-P energy: -6.821
bonds (distance) P-C4' energy: -7.805
flat angles C4'-P-C4' energy: -9.654
flat angles P-C4'-P energy: -4.790
tors. eta vs tors. theta energy: -4.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -141.395615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.395615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.395615 (E_RNA)
where:
Base-Base interactions energy: -96.544
where: short stacking energy: -40.076
Base-Backbone interact. energy: -0.194
local terms energy: -44.657504
where:
bonds (distance) C4'-P energy: -10.053
bonds (distance) P-C4' energy: -10.662
flat angles C4'-P-C4' energy: -7.936
flat angles P-C4'-P energy: -6.491
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: 2, replica: 9
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -140.804896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.804896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.804896 (E_RNA)
where:
Base-Base interactions energy: -97.460
where: short stacking energy: -46.231
Base-Backbone interact. energy: -1.692
local terms energy: -41.652178
where:
bonds (distance) C4'-P energy: -5.561
bonds (distance) P-C4' energy: -9.662
flat angles C4'-P-C4' energy: -8.660
flat angles P-C4'-P energy: -7.199
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: 3, replica: 5
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -139.344988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.344988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.344988 (E_RNA)
where:
Base-Base interactions energy: -92.568
where: short stacking energy: -44.340
Base-Backbone interact. energy: -0.002
local terms energy: -46.775196
where:
bonds (distance) C4'-P energy: -9.280
bonds (distance) P-C4' energy: -9.929
flat angles C4'-P-C4' energy: -10.921
flat angles P-C4'-P energy: -5.241
tors. eta vs tors. theta energy: -11.405
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: 4, replica: 3
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -136.097519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.097519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.097519 (E_RNA)
where:
Base-Base interactions energy: -92.406
where: short stacking energy: -44.211
Base-Backbone interact. energy: -1.959
local terms energy: -41.731951
where:
bonds (distance) C4'-P energy: -6.385
bonds (distance) P-C4' energy: -10.144
flat angles C4'-P-C4' energy: -9.021
flat angles P-C4'-P energy: -4.091
tors. eta vs tors. theta energy: -12.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -134.900283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.900283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.900283 (E_RNA)
where:
Base-Base interactions energy: -91.779
where: short stacking energy: -42.416
Base-Backbone interact. energy: -0.094
local terms energy: -43.026903
where:
bonds (distance) C4'-P energy: -10.268
bonds (distance) P-C4' energy: -8.203
flat angles C4'-P-C4' energy: -8.113
flat angles P-C4'-P energy: -7.623
tors. eta vs tors. theta energy: -8.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -124.406620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.406620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.406620 (E_RNA)
where:
Base-Base interactions energy: -90.513
where: short stacking energy: -40.130
Base-Backbone interact. energy: -0.004
local terms energy: -33.889394
where:
bonds (distance) C4'-P energy: -7.167
bonds (distance) P-C4' energy: -6.508
flat angles C4'-P-C4' energy: -6.689
flat angles P-C4'-P energy: -6.227
tors. eta vs tors. theta energy: -7.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -132.258758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.258758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.258758 (E_RNA)
where:
Base-Base interactions energy: -89.720
where: short stacking energy: -37.818
Base-Backbone interact. energy: -0.864
local terms energy: -41.674754
where:
bonds (distance) C4'-P energy: -8.960
bonds (distance) P-C4' energy: -9.278
flat angles C4'-P-C4' energy: -9.864
flat angles P-C4'-P energy: -5.626
tors. eta vs tors. theta energy: -7.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -62.990336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.990336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.990336 (E_RNA)
where:
Base-Base interactions energy: -26.556
where: short stacking energy: -26.556
Base-Backbone interact. energy: -0.123
local terms energy: -36.311083
where:
bonds (distance) C4'-P energy: -7.665
bonds (distance) P-C4' energy: -10.193
flat angles C4'-P-C4' energy: -8.394
flat angles P-C4'-P energy: -6.758
tors. eta vs tors. theta energy: -3.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -54.226651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.226651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.226651 (E_RNA)
where:
Base-Base interactions energy: -18.470
where: short stacking energy: -15.040
Base-Backbone interact. energy: -0.032
local terms energy: -35.724866
where:
bonds (distance) C4'-P energy: -7.800
bonds (distance) P-C4' energy: -10.652
flat angles C4'-P-C4' energy: -9.520
flat angles P-C4'-P energy: -5.635
tors. eta vs tors. theta energy: -2.118
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: 8
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -70.788509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.788509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.788509 (E_RNA)
where:
Base-Base interactions energy: -41.613
where: short stacking energy: -28.695
Base-Backbone interact. energy: -0.017
local terms energy: -29.158627
where:
bonds (distance) C4'-P energy: -6.972
bonds (distance) P-C4' energy: -9.993
flat angles C4'-P-C4' energy: -5.965
flat angles P-C4'-P energy: -4.072
tors. eta vs tors. theta energy: -2.156
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: 4
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -143.653119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.653119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.653119 (E_RNA)
where:
Base-Base interactions energy: -100.129
where: short stacking energy: -47.036
Base-Backbone interact. energy: -0.347
local terms energy: -43.177134
where:
bonds (distance) C4'-P energy: -9.573
bonds (distance) P-C4' energy: -10.327
flat angles C4'-P-C4' energy: -8.971
flat angles P-C4'-P energy: -6.236
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: 2, replica: 5
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -144.153979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.153979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.153979 (E_RNA)
where:
Base-Base interactions energy: -96.911
where: short stacking energy: -46.171
Base-Backbone interact. energy: -0.274
local terms energy: -46.969067
where:
bonds (distance) C4'-P energy: -9.726
bonds (distance) P-C4' energy: -8.709
flat angles C4'-P-C4' energy: -10.126
flat angles P-C4'-P energy: -8.301
tors. eta vs tors. theta energy: -10.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -139.284957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.284957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.284957 (E_RNA)
where:
Base-Base interactions energy: -92.882
where: short stacking energy: -40.234
Base-Backbone interact. energy: -0.888
local terms energy: -45.514980
where:
bonds (distance) C4'-P energy: -7.461
bonds (distance) P-C4' energy: -10.423
flat angles C4'-P-C4' energy: -9.248
flat angles P-C4'-P energy: -8.983
tors. eta vs tors. theta energy: -9.401
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: 6
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -138.988906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.988906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.988906 (E_RNA)
where:
Base-Base interactions energy: -96.691
where: short stacking energy: -45.587
Base-Backbone interact. energy: -0.921
local terms energy: -41.377052
where:
bonds (distance) C4'-P energy: -6.345
bonds (distance) P-C4' energy: -9.119
flat angles C4'-P-C4' energy: -9.669
flat angles P-C4'-P energy: -6.854
tors. eta vs tors. theta energy: -9.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -134.648283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.648283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.648283 (E_RNA)
where:
Base-Base interactions energy: -92.955
where: short stacking energy: -42.820
Base-Backbone interact. energy: -1.734
local terms energy: -39.959428
where:
bonds (distance) C4'-P energy: -7.771
bonds (distance) P-C4' energy: -8.826
flat angles C4'-P-C4' energy: -8.519
flat angles P-C4'-P energy: -6.315
tors. eta vs tors. theta energy: -8.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -120.489752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.489752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.489752 (E_RNA)
where:
Base-Base interactions energy: -86.208
where: short stacking energy: -37.437
Base-Backbone interact. energy: -0.248
local terms energy: -34.033888
where:
bonds (distance) C4'-P energy: -6.236
bonds (distance) P-C4' energy: -6.601
flat angles C4'-P-C4' energy: -9.593
flat angles P-C4'-P energy: -6.755
tors. eta vs tors. theta energy: -4.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -133.342487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.342487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.342487 (E_RNA)
where:
Base-Base interactions energy: -93.151
where: short stacking energy: -43.564
Base-Backbone interact. energy: 3.727
local terms energy: -43.918611
where:
bonds (distance) C4'-P energy: -7.561
bonds (distance) P-C4' energy: -9.539
flat angles C4'-P-C4' energy: -11.281
flat angles P-C4'-P energy: -6.507
tors. eta vs tors. theta energy: -9.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -69.943474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.943474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.943474 (E_RNA)
where:
Base-Base interactions energy: -38.678
where: short stacking energy: -24.913
Base-Backbone interact. energy: -0.117
local terms energy: -31.148274
where:
bonds (distance) C4'-P energy: -7.851
bonds (distance) P-C4' energy: -7.561
flat angles C4'-P-C4' energy: -5.123
flat angles P-C4'-P energy: -5.106
tors. eta vs tors. theta energy: -5.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -106.201011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.201011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.201011 (E_RNA)
where:
Base-Base interactions energy: -64.919
where: short stacking energy: -34.573
Base-Backbone interact. energy: -0.597
local terms energy: -40.685339
where:
bonds (distance) C4'-P energy: -8.679
bonds (distance) P-C4' energy: -9.717
flat angles C4'-P-C4' energy: -9.793
flat angles P-C4'-P energy: -4.709
tors. eta vs tors. theta energy: -7.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -55.415906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.415906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.415906 (E_RNA)
where:
Base-Base interactions energy: -20.059
where: short stacking energy: -20.059
Base-Backbone interact. energy: -0.143
local terms energy: -35.213846
where:
bonds (distance) C4'-P energy: -9.296
bonds (distance) P-C4' energy: -9.990
flat angles C4'-P-C4' energy: -8.032
flat angles P-C4'-P energy: -3.884
tors. eta vs tors. theta energy: -4.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -141.442809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.442809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.442809 (E_RNA)
where:
Base-Base interactions energy: -95.132
where: short stacking energy: -46.109
Base-Backbone interact. energy: -0.006
local terms energy: -46.305148
where:
bonds (distance) C4'-P energy: -9.751
bonds (distance) P-C4' energy: -9.340
flat angles C4'-P-C4' energy: -9.540
flat angles P-C4'-P energy: -7.181
tors. eta vs tors. theta energy: -10.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -142.500372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.500372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.500372 (E_RNA)
where:
Base-Base interactions energy: -97.591
where: short stacking energy: -45.585
Base-Backbone interact. energy: -1.706
local terms energy: -43.202752
where:
bonds (distance) C4'-P energy: -8.123
bonds (distance) P-C4' energy: -9.122
flat angles C4'-P-C4' energy: -9.237
flat angles P-C4'-P energy: -7.203
tors. eta vs tors. theta energy: -9.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -138.555744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.555744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.555744 (E_RNA)
where:
Base-Base interactions energy: -96.708
where: short stacking energy: -45.487
Base-Backbone interact. energy: -1.610
local terms energy: -40.237992
where:
bonds (distance) C4'-P energy: -7.963
bonds (distance) P-C4' energy: -5.992
flat angles C4'-P-C4' energy: -8.727
flat angles P-C4'-P energy: -8.527
tors. eta vs tors. theta energy: -9.030
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: 9
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -138.755710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.755710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.755710 (E_RNA)
where:
Base-Base interactions energy: -96.439
where: short stacking energy: -44.415
Base-Backbone interact. energy: -0.642
local terms energy: -41.675569
where:
bonds (distance) C4'-P energy: -7.558
bonds (distance) P-C4' energy: -10.641
flat angles C4'-P-C4' energy: -10.177
flat angles P-C4'-P energy: -4.504
tors. eta vs tors. theta energy: -8.796
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: 22
Temperature: 1.100000
Total energy: -132.028359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.028359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.028359 (E_RNA)
where:
Base-Base interactions energy: -92.745
where: short stacking energy: -41.548
Base-Backbone interact. energy: -2.417
local terms energy: -36.865985
where:
bonds (distance) C4'-P energy: -4.973
bonds (distance) P-C4' energy: -10.122
flat angles C4'-P-C4' energy: -9.319
flat angles P-C4'-P energy: -4.931
tors. eta vs tors. theta energy: -7.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -129.670948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.670948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.670948 (E_RNA)
where:
Base-Base interactions energy: -91.069
where: short stacking energy: -39.940
Base-Backbone interact. energy: -0.892
local terms energy: -37.710274
where:
bonds (distance) C4'-P energy: -8.369
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -9.987
flat angles P-C4'-P energy: -4.161
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: 7, replica: 1
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -137.511868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.511868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.511868 (E_RNA)
where:
Base-Base interactions energy: -97.553
where: short stacking energy: -43.776
Base-Backbone interact. energy: -0.220
local terms energy: -39.738809
where:
bonds (distance) C4'-P energy: -9.743
bonds (distance) P-C4' energy: -6.756
flat angles C4'-P-C4' energy: -6.778
flat angles P-C4'-P energy: -6.943
tors. eta vs tors. theta energy: -9.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -70.873313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.873313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.873313 (E_RNA)
where:
Base-Base interactions energy: -42.780
where: short stacking energy: -29.147
Base-Backbone interact. energy: 0.186
local terms energy: -28.279937
where:
bonds (distance) C4'-P energy: -7.204
bonds (distance) P-C4' energy: -7.687
flat angles C4'-P-C4' energy: -9.407
flat angles P-C4'-P energy: -2.309
tors. eta vs tors. theta energy: -1.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -107.093536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.093536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.093536 (E_RNA)
where:
Base-Base interactions energy: -72.454
where: short stacking energy: -31.117
Base-Backbone interact. energy: -0.105
local terms energy: -34.534521
where:
bonds (distance) C4'-P energy: -9.494
bonds (distance) P-C4' energy: -9.827
flat angles C4'-P-C4' energy: -8.201
flat angles P-C4'-P energy: -0.396
tors. eta vs tors. theta energy: -6.617
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: 8
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -63.397416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.397416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.397416 (E_RNA)
where:
Base-Base interactions energy: -27.834
where: short stacking energy: -27.834
Base-Backbone interact. energy: 0.191
local terms energy: -35.754389
where:
bonds (distance) C4'-P energy: -9.040
bonds (distance) P-C4' energy: -9.030
flat angles C4'-P-C4' energy: -8.369
flat angles P-C4'-P energy: -7.643
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: 1, replica: 5
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -144.711922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.711922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.711922 (E_RNA)
where:
Base-Base interactions energy: -99.159
where: short stacking energy: -46.925
Base-Backbone interact. energy: -0.319
local terms energy: -45.234410
where:
bonds (distance) C4'-P energy: -7.859
bonds (distance) P-C4' energy: -10.155
flat angles C4'-P-C4' energy: -10.003
flat angles P-C4'-P energy: -7.560
tors. eta vs tors. theta energy: -9.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -141.914053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.914053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.914053 (E_RNA)
where:
Base-Base interactions energy: -96.138
where: short stacking energy: -44.151
Base-Backbone interact. energy: -0.536
local terms energy: -45.240057
where:
bonds (distance) C4'-P energy: -6.638
bonds (distance) P-C4' energy: -10.821
flat angles C4'-P-C4' energy: -9.414
flat angles P-C4'-P energy: -7.609
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: 6
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -134.114452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.114452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.114452 (E_RNA)
where:
Base-Base interactions energy: -93.979
where: short stacking energy: -42.589
Base-Backbone interact. energy: -0.580
local terms energy: -39.555680
where:
bonds (distance) C4'-P energy: -6.844
bonds (distance) P-C4' energy: -9.929
flat angles C4'-P-C4' energy: -8.699
flat angles P-C4'-P energy: -4.972
tors. eta vs tors. theta energy: -9.112
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: 4, replica: 7
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -138.473631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.473631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.473631 (E_RNA)
where:
Base-Base interactions energy: -95.514
where: short stacking energy: -43.376
Base-Backbone interact. energy: -1.449
local terms energy: -41.510778
where:
bonds (distance) C4'-P energy: -9.353
bonds (distance) P-C4' energy: -7.785
flat angles C4'-P-C4' energy: -8.619
flat angles P-C4'-P energy: -7.278
tors. eta vs tors. theta energy: -8.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -129.220673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.220673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.220673 (E_RNA)
where:
Base-Base interactions energy: -86.382
where: short stacking energy: -39.017
Base-Backbone interact. energy: -1.118
local terms energy: -41.720948
where:
bonds (distance) C4'-P energy: -7.511
bonds (distance) P-C4' energy: -10.351
flat angles C4'-P-C4' energy: -6.554
flat angles P-C4'-P energy: -7.990
tors. eta vs tors. theta energy: -9.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -132.893926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.893926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.893926 (E_RNA)
where:
Base-Base interactions energy: -91.360
where: short stacking energy: -42.150
Base-Backbone interact. energy: -1.669
local terms energy: -39.865073
where:
bonds (distance) C4'-P energy: -6.882
bonds (distance) P-C4' energy: -9.629
flat angles C4'-P-C4' energy: -8.568
flat angles P-C4'-P energy: -6.770
tors. eta vs tors. theta energy: -8.015
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: 1
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -126.725300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.725300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.725300 (E_RNA)
where:
Base-Base interactions energy: -86.766
where: short stacking energy: -36.442
Base-Backbone interact. energy: -1.416
local terms energy: -38.543360
where:
bonds (distance) C4'-P energy: -8.671
bonds (distance) P-C4' energy: -9.150
flat angles C4'-P-C4' energy: -9.167
flat angles P-C4'-P energy: -3.770
tors. eta vs tors. theta energy: -7.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -123.242734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.242734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.242734 (E_RNA)
where:
Base-Base interactions energy: -84.165
where: short stacking energy: -35.833
Base-Backbone interact. energy: -0.327
local terms energy: -38.751228
where:
bonds (distance) C4'-P energy: -8.356
bonds (distance) P-C4' energy: -9.302
flat angles C4'-P-C4' energy: -7.413
flat angles P-C4'-P energy: -6.343
tors. eta vs tors. theta energy: -7.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -67.127251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.127251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.127251 (E_RNA)
where:
Base-Base interactions energy: -36.808
where: short stacking energy: -21.745
Base-Backbone interact. energy: -0.084
local terms energy: -30.235309
where:
bonds (distance) C4'-P energy: -8.401
bonds (distance) P-C4' energy: -7.392
flat angles C4'-P-C4' energy: -7.399
flat angles P-C4'-P energy: -3.595
tors. eta vs tors. theta energy: -3.448
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: 10, replica: 8
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -51.563315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.563315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.563315 (E_RNA)
where:
Base-Base interactions energy: -24.235
where: short stacking energy: -24.235
Base-Backbone interact. energy: -0.003
local terms energy: -27.325799
where:
bonds (distance) C4'-P energy: -4.539
bonds (distance) P-C4' energy: -9.809
flat angles C4'-P-C4' energy: -3.615
flat angles P-C4'-P energy: -4.269
tors. eta vs tors. theta energy: -5.094
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: 4
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -144.223088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.223088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.223088 (E_RNA)
where:
Base-Base interactions energy: -95.520
where: short stacking energy: -47.599
Base-Backbone interact. energy: -1.718
local terms energy: -46.985495
where:
bonds (distance) C4'-P energy: -10.115
bonds (distance) P-C4' energy: -10.376
flat angles C4'-P-C4' energy: -9.750
flat angles P-C4'-P energy: -7.027
tors. eta vs tors. theta energy: -9.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -140.279095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.279095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.279095 (E_RNA)
where:
Base-Base interactions energy: -95.121
where: short stacking energy: -44.904
Base-Backbone interact. energy: -1.805
local terms energy: -43.353606
where:
bonds (distance) C4'-P energy: -7.336
bonds (distance) P-C4' energy: -9.644
flat angles C4'-P-C4' energy: -9.145
flat angles P-C4'-P energy: -8.593
tors. eta vs tors. theta energy: -8.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -135.320406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.320406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.320406 (E_RNA)
where:
Base-Base interactions energy: -94.836
where: short stacking energy: -44.795
Base-Backbone interact. energy: -0.755
local terms energy: -39.729618
where:
bonds (distance) C4'-P energy: -8.580
bonds (distance) P-C4' energy: -8.690
flat angles C4'-P-C4' energy: -9.722
flat angles P-C4'-P energy: -4.425
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: 4, replica: 6
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -136.364938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.364938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.364938 (E_RNA)
where:
Base-Base interactions energy: -94.275
where: short stacking energy: -44.255
Base-Backbone interact. energy: -0.778
local terms energy: -41.312842
where:
bonds (distance) C4'-P energy: -7.942
bonds (distance) P-C4' energy: -8.374
flat angles C4'-P-C4' energy: -9.888
flat angles P-C4'-P energy: -5.494
tors. eta vs tors. theta energy: -9.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -139.537009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.537009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.537009 (E_RNA)
where:
Base-Base interactions energy: -94.442
where: short stacking energy: -43.387
Base-Backbone interact. energy: -0.004
local terms energy: -45.091081
where:
bonds (distance) C4'-P energy: -7.614
bonds (distance) P-C4' energy: -10.644
flat angles C4'-P-C4' energy: -10.051
flat angles P-C4'-P energy: -7.554
tors. eta vs tors. theta energy: -9.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -132.696122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.696122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.696122 (E_RNA)
where:
Base-Base interactions energy: -94.385
where: short stacking energy: -43.032
Base-Backbone interact. energy: -0.008
local terms energy: -38.303196
where:
bonds (distance) C4'-P energy: -7.259
bonds (distance) P-C4' energy: -8.865
flat angles C4'-P-C4' energy: -7.848
flat angles P-C4'-P energy: -5.962
tors. eta vs tors. theta energy: -8.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -127.910728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.910728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.910728 (E_RNA)
where:
Base-Base interactions energy: -84.926
where: short stacking energy: -40.665
Base-Backbone interact. energy: -0.042
local terms energy: -42.943494
where:
bonds (distance) C4'-P energy: -7.548
bonds (distance) P-C4' energy: -10.873
flat angles C4'-P-C4' energy: -8.324
flat angles P-C4'-P energy: -5.861
tors. eta vs tors. theta energy: -10.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -130.160636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.160636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.160636 (E_RNA)
where:
Base-Base interactions energy: -91.256
where: short stacking energy: -38.724
Base-Backbone interact. energy: -0.526
local terms energy: -38.378660
where:
bonds (distance) C4'-P energy: -4.998
bonds (distance) P-C4' energy: -9.932
flat angles C4'-P-C4' energy: -7.180
flat angles P-C4'-P energy: -7.586
tors. eta vs tors. theta energy: -8.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -61.769353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.769353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.769353 (E_RNA)
where:
Base-Base interactions energy: -29.839
where: short stacking energy: -29.839
Base-Backbone interact. energy: -0.038
local terms energy: -31.892808
where:
bonds (distance) C4'-P energy: -6.592
bonds (distance) P-C4' energy: -10.563
flat angles C4'-P-C4' energy: -5.895
flat angles P-C4'-P energy: -5.491
tors. eta vs tors. theta energy: -3.353
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: 2
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -73.089641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.089641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.089641 (E_RNA)
where:
Base-Base interactions energy: -40.013
where: short stacking energy: -24.853
Base-Backbone interact. energy: -0.077
local terms energy: -32.999065
where:
bonds (distance) C4'-P energy: -9.412
bonds (distance) P-C4' energy: -7.451
flat angles C4'-P-C4' energy: -6.593
flat angles P-C4'-P energy: -4.663
tors. eta vs tors. theta energy: -4.880
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: 1, replica: 4
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -144.150696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.150696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.150696 (E_RNA)
where:
Base-Base interactions energy: -96.801
where: short stacking energy: -44.204
Base-Backbone interact. energy: -1.481
local terms energy: -45.869068
where:
bonds (distance) C4'-P energy: -10.686
bonds (distance) P-C4' energy: -10.211
flat angles C4'-P-C4' energy: -9.191
flat angles P-C4'-P energy: -7.779
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: 2, replica: 7
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -141.062377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.062377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.062377 (E_RNA)
where:
Base-Base interactions energy: -92.779
where: short stacking energy: -41.752
Base-Backbone interact. energy: -1.262
local terms energy: -47.020844
where:
bonds (distance) C4'-P energy: -8.570
bonds (distance) P-C4' energy: -10.616
flat angles C4'-P-C4' energy: -10.456
flat angles P-C4'-P energy: -8.083
tors. eta vs tors. theta energy: -9.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -139.037492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.037492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.037492 (E_RNA)
where:
Base-Base interactions energy: -95.132
where: short stacking energy: -44.908
Base-Backbone interact. energy: -1.367
local terms energy: -42.539047
where:
bonds (distance) C4'-P energy: -8.323
bonds (distance) P-C4' energy: -10.612
flat angles C4'-P-C4' energy: -7.369
flat angles P-C4'-P energy: -7.104
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: 4, replica: 3
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -135.566006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.566006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.566006 (E_RNA)
where:
Base-Base interactions energy: -92.601
where: short stacking energy: -41.380
Base-Backbone interact. energy: -0.001
local terms energy: -42.964217
where:
bonds (distance) C4'-P energy: -10.007
bonds (distance) P-C4' energy: -9.319
flat angles C4'-P-C4' energy: -10.855
flat angles P-C4'-P energy: -3.902
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: 5, replica: 6
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -136.957151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.957151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.957151 (E_RNA)
where:
Base-Base interactions energy: -92.146
where: short stacking energy: -42.361
Base-Backbone interact. energy: -0.010
local terms energy: -44.800752
where:
bonds (distance) C4'-P energy: -9.795
bonds (distance) P-C4' energy: -10.674
flat angles C4'-P-C4' energy: -9.426
flat angles P-C4'-P energy: -5.645
tors. eta vs tors. theta energy: -9.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -132.480684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.480684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.480684 (E_RNA)
where:
Base-Base interactions energy: -91.128
where: short stacking energy: -41.303
Base-Backbone interact. energy: -0.546
local terms energy: -40.806605
where:
bonds (distance) C4'-P energy: -7.329
bonds (distance) P-C4' energy: -10.637
flat angles C4'-P-C4' energy: -9.832
flat angles P-C4'-P energy: -5.798
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: 9
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -128.479255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.479255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.479255 (E_RNA)
where:
Base-Base interactions energy: -87.437
where: short stacking energy: -39.087
Base-Backbone interact. energy: -1.178
local terms energy: -39.863865
where:
bonds (distance) C4'-P energy: -7.390
bonds (distance) P-C4' energy: -7.544
flat angles C4'-P-C4' energy: -9.473
flat angles P-C4'-P energy: -5.864
tors. eta vs tors. theta energy: -9.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -121.794382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.794382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.794382 (E_RNA)
where:
Base-Base interactions energy: -85.998
where: short stacking energy: -36.993
Base-Backbone interact. energy: -0.261
local terms energy: -35.535081
where:
bonds (distance) C4'-P energy: -6.013
bonds (distance) P-C4' energy: -10.647
flat angles C4'-P-C4' energy: -4.803
flat angles P-C4'-P energy: -7.192
tors. eta vs tors. theta energy: -6.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -76.502104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.502104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.502104 (E_RNA)
where:
Base-Base interactions energy: -33.148
where: short stacking energy: -33.148
Base-Backbone interact. energy: -0.000
local terms energy: -43.353744
where:
bonds (distance) C4'-P energy: -8.724
bonds (distance) P-C4' energy: -10.053
flat angles C4'-P-C4' energy: -8.562
flat angles P-C4'-P energy: -7.470
tors. eta vs tors. theta energy: -8.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -112.799110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.799110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.799110 (E_RNA)
where:
Base-Base interactions energy: -74.528
where: short stacking energy: -29.929
Base-Backbone interact. energy: -0.083
local terms energy: -38.188726
where:
bonds (distance) C4'-P energy: -8.972
bonds (distance) P-C4' energy: -7.607
flat angles C4'-P-C4' energy: -10.453
flat angles P-C4'-P energy: -5.843
tors. eta vs tors. theta energy: -5.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -139.964182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.964182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.964182 (E_RNA)
where:
Base-Base interactions energy: -95.565
where: short stacking energy: -42.665
Base-Backbone interact. energy: -0.002
local terms energy: -44.396848
where:
bonds (distance) C4'-P energy: -9.433
bonds (distance) P-C4' energy: -11.339
flat angles C4'-P-C4' energy: -9.747
flat angles P-C4'-P energy: -4.298
tors. eta vs tors. theta energy: -9.580
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: 4
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -141.346244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.346244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.346244 (E_RNA)
where:
Base-Base interactions energy: -97.779
where: short stacking energy: -47.282
Base-Backbone interact. energy: -1.352
local terms energy: -42.215401
where:
bonds (distance) C4'-P energy: -8.462
bonds (distance) P-C4' energy: -7.587
flat angles C4'-P-C4' energy: -7.753
flat angles P-C4'-P energy: -7.494
tors. eta vs tors. theta energy: -10.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -139.918280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.918280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.918280 (E_RNA)
where:
Base-Base interactions energy: -95.880
where: short stacking energy: -45.323
Base-Backbone interact. energy: -1.501
local terms energy: -42.536907
where:
bonds (distance) C4'-P energy: -9.164
bonds (distance) P-C4' energy: -7.326
flat angles C4'-P-C4' energy: -8.081
flat angles P-C4'-P energy: -7.809
tors. eta vs tors. theta energy: -10.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -139.871017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.871017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.871017 (E_RNA)
where:
Base-Base interactions energy: -91.210
where: short stacking energy: -41.612
Base-Backbone interact. energy: -1.753
local terms energy: -46.907142
where:
bonds (distance) C4'-P energy: -9.627
bonds (distance) P-C4' energy: -8.668
flat angles C4'-P-C4' energy: -10.249
flat angles P-C4'-P energy: -7.781
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: 5, replica: 10
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -134.172217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.172217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.172217 (E_RNA)
where:
Base-Base interactions energy: -88.200
where: short stacking energy: -39.367
Base-Backbone interact. energy: -1.682
local terms energy: -44.289726
where:
bonds (distance) C4'-P energy: -10.239
bonds (distance) P-C4' energy: -7.558
flat angles C4'-P-C4' energy: -11.112
flat angles P-C4'-P energy: -7.431
tors. eta vs tors. theta energy: -7.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -133.615699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.615699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.615699 (E_RNA)
where:
Base-Base interactions energy: -93.234
where: short stacking energy: -44.741
Base-Backbone interact. energy: -1.339
local terms energy: -39.043158
where:
bonds (distance) C4'-P energy: -9.014
bonds (distance) P-C4' energy: -7.107
flat angles C4'-P-C4' energy: -9.253
flat angles P-C4'-P energy: -6.105
tors. eta vs tors. theta energy: -7.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -127.972359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.972359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.972359 (E_RNA)
where:
Base-Base interactions energy: -89.811
where: short stacking energy: -42.316
Base-Backbone interact. energy: -0.153
local terms energy: -38.007932
where:
bonds (distance) C4'-P energy: -10.330
bonds (distance) P-C4' energy: -6.405
flat angles C4'-P-C4' energy: -8.088
flat angles P-C4'-P energy: -5.934
tors. eta vs tors. theta energy: -7.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -117.632774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.632774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.632774 (E_RNA)
where:
Base-Base interactions energy: -84.006
where: short stacking energy: -36.805
Base-Backbone interact. energy: -0.295
local terms energy: -33.331910
where:
bonds (distance) C4'-P energy: -6.895
bonds (distance) P-C4' energy: -5.758
flat angles C4'-P-C4' energy: -9.484
flat angles P-C4'-P energy: -0.932
tors. eta vs tors. theta energy: -10.263
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: 2
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -120.891100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.891100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.891100 (E_RNA)
where:
Base-Base interactions energy: -84.679
where: short stacking energy: -30.021
Base-Backbone interact. energy: -0.000
local terms energy: -36.212191
where:
bonds (distance) C4'-P energy: -6.745
bonds (distance) P-C4' energy: -10.039
flat angles C4'-P-C4' energy: -8.094
flat angles P-C4'-P energy: -5.597
tors. eta vs tors. theta energy: -5.737
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: 8
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -59.012236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.012236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.012236 (E_RNA)
where:
Base-Base interactions energy: -28.086
where: short stacking energy: -21.602
Base-Backbone interact. energy: 0.219
local terms energy: -31.145168
where:
bonds (distance) C4'-P energy: -3.571
bonds (distance) P-C4' energy: -7.519
flat angles C4'-P-C4' energy: -8.915
flat angles P-C4'-P energy: -3.943
tors. eta vs tors. theta energy: -7.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -143.456619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.456619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.456619 (E_RNA)
where:
Base-Base interactions energy: -100.560
where: short stacking energy: -40.863
Base-Backbone interact. energy: -0.500
local terms energy: -42.396759
where:
bonds (distance) C4'-P energy: -8.679
bonds (distance) P-C4' energy: -10.670
flat angles C4'-P-C4' energy: -7.317
flat angles P-C4'-P energy: -4.714
tors. eta vs tors. theta energy: -11.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -139.382819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.382819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.382819 (E_RNA)
where:
Base-Base interactions energy: -93.159
where: short stacking energy: -43.928
Base-Backbone interact. energy: -0.035
local terms energy: -46.188581
where:
bonds (distance) C4'-P energy: -9.308
bonds (distance) P-C4' energy: -10.122
flat angles C4'-P-C4' energy: -9.484
flat angles P-C4'-P energy: -6.834
tors. eta vs tors. theta energy: -10.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -137.552234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.552234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.552234 (E_RNA)
where:
Base-Base interactions energy: -91.230
where: short stacking energy: -39.958
Base-Backbone interact. energy: -1.521
local terms energy: -44.801296
where:
bonds (distance) C4'-P energy: -9.440
bonds (distance) P-C4' energy: -9.284
flat angles C4'-P-C4' energy: -8.952
flat angles P-C4'-P energy: -8.236
tors. eta vs tors. theta energy: -8.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -133.678115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.678115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.678115 (E_RNA)
where:
Base-Base interactions energy: -94.496
where: short stacking energy: -42.634
Base-Backbone interact. energy: -0.700
local terms energy: -38.482596
where:
bonds (distance) C4'-P energy: -8.927
bonds (distance) P-C4' energy: -5.304
flat angles C4'-P-C4' energy: -9.561
flat angles P-C4'-P energy: -6.459
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: 5, replica: 3
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -138.984077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.984077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.984077 (E_RNA)
where:
Base-Base interactions energy: -100.490
where: short stacking energy: -42.403
Base-Backbone interact. energy: -0.247
local terms energy: -38.247054
where:
bonds (distance) C4'-P energy: -8.578
bonds (distance) P-C4' energy: -10.419
flat angles C4'-P-C4' energy: -8.089
flat angles P-C4'-P energy: -2.423
tors. eta vs tors. theta energy: -8.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -130.146218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.146218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.146218 (E_RNA)
where:
Base-Base interactions energy: -85.950
where: short stacking energy: -34.150
Base-Backbone interact. energy: -0.028
local terms energy: -44.167971
where:
bonds (distance) C4'-P energy: -9.432
bonds (distance) P-C4' energy: -10.172
flat angles C4'-P-C4' energy: -9.870
flat angles P-C4'-P energy: -5.814
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: 7, replica: 6
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -131.429216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.429216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.429216 (E_RNA)
where:
Base-Base interactions energy: -87.623
where: short stacking energy: -41.028
Base-Backbone interact. energy: -0.998
local terms energy: -42.808219
where:
bonds (distance) C4'-P energy: -8.782
bonds (distance) P-C4' energy: -10.193
flat angles C4'-P-C4' energy: -8.804
flat angles P-C4'-P energy: -5.467
tors. eta vs tors. theta energy: -9.561
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: 2
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -123.998681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.998681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.998681 (E_RNA)
where:
Base-Base interactions energy: -87.339
where: short stacking energy: -32.530
Base-Backbone interact. energy: -0.010
local terms energy: -36.650392
where:
bonds (distance) C4'-P energy: -6.277
bonds (distance) P-C4' energy: -9.144
flat angles C4'-P-C4' energy: -9.064
flat angles P-C4'-P energy: -4.183
tors. eta vs tors. theta energy: -7.983
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: 9
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -122.171508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.171508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.171508 (E_RNA)
where:
Base-Base interactions energy: -81.917
where: short stacking energy: -39.815
Base-Backbone interact. energy: -0.017
local terms energy: -40.237514
where:
bonds (distance) C4'-P energy: -8.756
bonds (distance) P-C4' energy: -9.091
flat angles C4'-P-C4' energy: -7.689
flat angles P-C4'-P energy: -6.377
tors. eta vs tors. theta energy: -8.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -61.483504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.483504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.483504 (E_RNA)
where:
Base-Base interactions energy: -27.527
where: short stacking energy: -18.019
Base-Backbone interact. energy: 1.698
local terms energy: -35.654414
where:
bonds (distance) C4'-P energy: -7.995
bonds (distance) P-C4' energy: -10.211
flat angles C4'-P-C4' energy: -8.641
flat angles P-C4'-P energy: -8.607
tors. eta vs tors. theta energy: -0.200
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: 7
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -146.363667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.363667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.363667 (E_RNA)
where:
Base-Base interactions energy: -102.733
where: short stacking energy: -43.730
Base-Backbone interact. energy: -0.023
local terms energy: -43.607410
where:
bonds (distance) C4'-P energy: -8.663
bonds (distance) P-C4' energy: -8.555
flat angles C4'-P-C4' energy: -8.099
flat angles P-C4'-P energy: -7.913
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: 2, replica: 5
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -140.180718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.180718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.180718 (E_RNA)
where:
Base-Base interactions energy: -95.017
where: short stacking energy: -45.884
Base-Backbone interact. energy: -0.046
local terms energy: -45.118040
where:
bonds (distance) C4'-P energy: -10.624
bonds (distance) P-C4' energy: -11.124
flat angles C4'-P-C4' energy: -10.569
flat angles P-C4'-P energy: -4.638
tors. eta vs tors. theta energy: -8.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -142.277250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.277250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.277250 (E_RNA)
where:
Base-Base interactions energy: -97.056
where: short stacking energy: -46.667
Base-Backbone interact. energy: -1.114
local terms energy: -44.107752
where:
bonds (distance) C4'-P energy: -8.276
bonds (distance) P-C4' energy: -10.373
flat angles C4'-P-C4' energy: -8.916
flat angles P-C4'-P energy: -6.140
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: 4, replica: 10
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -133.734227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.734227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.734227 (E_RNA)
where:
Base-Base interactions energy: -95.917
where: short stacking energy: -40.166
Base-Backbone interact. energy: -0.084
local terms energy: -37.733166
where:
bonds (distance) C4'-P energy: -8.198
bonds (distance) P-C4' energy: -7.730
flat angles C4'-P-C4' energy: -6.519
flat angles P-C4'-P energy: -5.319
tors. eta vs tors. theta energy: -9.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -131.812850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.812850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.812850 (E_RNA)
where:
Base-Base interactions energy: -93.220
where: short stacking energy: -40.275
Base-Backbone interact. energy: -0.024
local terms energy: -38.568638
where:
bonds (distance) C4'-P energy: -7.271
bonds (distance) P-C4' energy: -9.028
flat angles C4'-P-C4' energy: -9.216
flat angles P-C4'-P energy: -4.730
tors. eta vs tors. theta energy: -8.324
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: 3
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -126.934258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.934258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.934258 (E_RNA)
where:
Base-Base interactions energy: -88.569
where: short stacking energy: -34.746
Base-Backbone interact. energy: -0.021
local terms energy: -38.344187
where:
bonds (distance) C4'-P energy: -8.826
bonds (distance) P-C4' energy: -10.351
flat angles C4'-P-C4' energy: -5.048
flat angles P-C4'-P energy: -7.022
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: 7, replica: 2
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -129.291243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.291243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.291243 (E_RNA)
where:
Base-Base interactions energy: -88.305
where: short stacking energy: -42.364
Base-Backbone interact. energy: -0.003
local terms energy: -40.983096
where:
bonds (distance) C4'-P energy: -9.014
bonds (distance) P-C4' energy: -7.326
flat angles C4'-P-C4' energy: -10.199
flat angles P-C4'-P energy: -7.121
tors. eta vs tors. theta energy: -7.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -123.307464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.307464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.307464 (E_RNA)
where:
Base-Base interactions energy: -81.730
where: short stacking energy: -34.036
Base-Backbone interact. energy: -1.071
local terms energy: -40.506420
where:
bonds (distance) C4'-P energy: -9.511
bonds (distance) P-C4' energy: -10.193
flat angles C4'-P-C4' energy: -10.464
flat angles P-C4'-P energy: -4.687
tors. eta vs tors. theta energy: -5.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -91.544548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.544548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.544548 (E_RNA)
where:
Base-Base interactions energy: -63.478
where: short stacking energy: -35.446
Base-Backbone interact. energy: -0.009
local terms energy: -28.057415
where:
bonds (distance) C4'-P energy: -6.476
bonds (distance) P-C4' energy: -7.058
flat angles C4'-P-C4' energy: -6.732
flat angles P-C4'-P energy: -4.503
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: 8
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -65.276432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.276432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.276432 (E_RNA)
where:
Base-Base interactions energy: -38.149
where: short stacking energy: -26.213
Base-Backbone interact. energy: -0.091
local terms energy: -27.036333
where:
bonds (distance) C4'-P energy: -8.964
bonds (distance) P-C4' energy: -10.398
flat angles C4'-P-C4' energy: -5.619
flat angles P-C4'-P energy: 0.978
tors. eta vs tors. theta energy: -3.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -139.785998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.785998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.785998 (E_RNA)
where:
Base-Base interactions energy: -94.081
where: short stacking energy: -44.908
Base-Backbone interact. energy: -0.194
local terms energy: -45.511143
where:
bonds (distance) C4'-P energy: -9.494
bonds (distance) P-C4' energy: -10.122
flat angles C4'-P-C4' energy: -9.533
flat angles P-C4'-P energy: -7.014
tors. eta vs tors. theta energy: -9.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -139.327862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.327862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.327862 (E_RNA)
where:
Base-Base interactions energy: -94.852
where: short stacking energy: -43.001
Base-Backbone interact. energy: -0.766
local terms energy: -43.710123
where:
bonds (distance) C4'-P energy: -7.256
bonds (distance) P-C4' energy: -9.309
flat angles C4'-P-C4' energy: -9.850
flat angles P-C4'-P energy: -8.627
tors. eta vs tors. theta energy: -8.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -139.647956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.647956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.647956 (E_RNA)
where:
Base-Base interactions energy: -93.619
where: short stacking energy: -45.587
Base-Backbone interact. energy: -0.016
local terms energy: -46.012651
where:
bonds (distance) C4'-P energy: -9.088
bonds (distance) P-C4' energy: -10.444
flat angles C4'-P-C4' energy: -9.528
flat angles P-C4'-P energy: -7.681
tors. eta vs tors. theta energy: -9.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -136.230667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.230667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.230667 (E_RNA)
where:
Base-Base interactions energy: -98.618
where: short stacking energy: -47.138
Base-Backbone interact. energy: -0.686
local terms energy: -36.926441
where:
bonds (distance) C4'-P energy: -6.220
bonds (distance) P-C4' energy: -7.318
flat angles C4'-P-C4' energy: -8.898
flat angles P-C4'-P energy: -6.257
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: 5, replica: 10
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -139.083838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.083838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.083838 (E_RNA)
where:
Base-Base interactions energy: -96.560
where: short stacking energy: -40.075
Base-Backbone interact. energy: -0.003
local terms energy: -42.520953
where:
bonds (distance) C4'-P energy: -9.883
bonds (distance) P-C4' energy: -11.096
flat angles C4'-P-C4' energy: -7.928
flat angles P-C4'-P energy: -3.803
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: 6, replica: 3
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -135.509413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.509413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.509413 (E_RNA)
where:
Base-Base interactions energy: -100.263
where: short stacking energy: -40.277
Base-Backbone interact. energy: -0.003
local terms energy: -35.243195
where:
bonds (distance) C4'-P energy: -7.561
bonds (distance) P-C4' energy: -8.414
flat angles C4'-P-C4' energy: -8.685
flat angles P-C4'-P energy: -0.268
tors. eta vs tors. theta energy: -10.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -132.982807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.982807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.982807 (E_RNA)
where:
Base-Base interactions energy: -94.800
where: short stacking energy: -39.149
Base-Backbone interact. energy: -0.044
local terms energy: -38.139095
where:
bonds (distance) C4'-P energy: -6.609
bonds (distance) P-C4' energy: -8.914
flat angles C4'-P-C4' energy: -8.244
flat angles P-C4'-P energy: -5.647
tors. eta vs tors. theta energy: -8.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -125.980913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.980913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.980913 (E_RNA)
where:
Base-Base interactions energy: -95.659
where: short stacking energy: -33.166
Base-Backbone interact. energy: -0.192
local terms energy: -30.130312
where:
bonds (distance) C4'-P energy: -7.639
bonds (distance) P-C4' energy: -9.383
flat angles C4'-P-C4' energy: -5.061
flat angles P-C4'-P energy: -0.735
tors. eta vs tors. theta energy: -7.313
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: 6
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -129.019636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.019636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.019636 (E_RNA)
where:
Base-Base interactions energy: -85.515
where: short stacking energy: -36.001
Base-Backbone interact. energy: -2.043
local terms energy: -41.461200
where:
bonds (distance) C4'-P energy: -7.867
bonds (distance) P-C4' energy: -8.908
flat angles C4'-P-C4' energy: -9.853
flat angles P-C4'-P energy: -7.333
tors. eta vs tors. theta energy: -7.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -57.293176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.293176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.293176 (E_RNA)
where:
Base-Base interactions energy: -26.792
where: short stacking energy: -26.792
Base-Backbone interact. energy: -0.003
local terms energy: -30.497618
where:
bonds (distance) C4'-P energy: -4.730
bonds (distance) P-C4' energy: -7.100
flat angles C4'-P-C4' energy: -9.180
flat angles P-C4'-P energy: -4.593
tors. eta vs tors. theta energy: -4.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -140.874417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.874417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.874417 (E_RNA)
where:
Base-Base interactions energy: -97.020
where: short stacking energy: -45.784
Base-Backbone interact. energy: -1.012
local terms energy: -42.842725
where:
bonds (distance) C4'-P energy: -6.981
bonds (distance) P-C4' energy: -11.346
flat angles C4'-P-C4' energy: -7.740
flat angles P-C4'-P energy: -7.722
tors. eta vs tors. theta energy: -9.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -139.748810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.748810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.748810 (E_RNA)
where:
Base-Base interactions energy: -98.027
where: short stacking energy: -40.166
Base-Backbone interact. energy: -1.642
local terms energy: -40.079445
where:
bonds (distance) C4'-P energy: -7.266
bonds (distance) P-C4' energy: -9.364
flat angles C4'-P-C4' energy: -9.263
flat angles P-C4'-P energy: -6.251
tors. eta vs tors. theta energy: -7.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -139.805675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.805675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.805675 (E_RNA)
where:
Base-Base interactions energy: -93.577
where: short stacking energy: -43.987
Base-Backbone interact. energy: -1.878
local terms energy: -44.350775
where:
bonds (distance) C4'-P energy: -8.580
bonds (distance) P-C4' energy: -7.480
flat angles C4'-P-C4' energy: -7.952
flat angles P-C4'-P energy: -8.500
tors. eta vs tors. theta energy: -11.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -142.917644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.917644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.917644 (E_RNA)
where:
Base-Base interactions energy: -101.965
where: short stacking energy: -39.633
Base-Backbone interact. energy: -0.039
local terms energy: -40.913781
where:
bonds (distance) C4'-P energy: -9.536
bonds (distance) P-C4' energy: -10.226
flat angles C4'-P-C4' energy: -7.391
flat angles P-C4'-P energy: -3.664
tors. eta vs tors. theta energy: -10.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -136.427078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.427078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.427078 (E_RNA)
where:
Base-Base interactions energy: -94.350
where: short stacking energy: -45.420
Base-Backbone interact. energy: -0.303
local terms energy: -41.773702
where:
bonds (distance) C4'-P energy: -7.834
bonds (distance) P-C4' energy: -11.141
flat angles C4'-P-C4' energy: -8.999
flat angles P-C4'-P energy: -4.624
tors. eta vs tors. theta energy: -9.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -131.353968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.353968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.353968 (E_RNA)
where:
Base-Base interactions energy: -92.103
where: short stacking energy: -39.700
Base-Backbone interact. energy: -0.014
local terms energy: -39.236306
where:
bonds (distance) C4'-P energy: -7.966
bonds (distance) P-C4' energy: -8.269
flat angles C4'-P-C4' energy: -7.567
flat angles P-C4'-P energy: -5.862
tors. eta vs tors. theta energy: -9.571
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: 30
Temperature: 1.200000
Total energy: -129.077102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.077102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.077102 (E_RNA)
where:
Base-Base interactions energy: -93.307
where: short stacking energy: -43.614
Base-Backbone interact. energy: -0.294
local terms energy: -35.476005
where:
bonds (distance) C4'-P energy: -5.263
bonds (distance) P-C4' energy: -5.236
flat angles C4'-P-C4' energy: -10.418
flat angles P-C4'-P energy: -6.132
tors. eta vs tors. theta energy: -8.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -126.652651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.652651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.652651 (E_RNA)
where:
Base-Base interactions energy: -91.242
where: short stacking energy: -44.983
Base-Backbone interact. energy: -0.056
local terms energy: -35.354196
where:
bonds (distance) C4'-P energy: -8.223
bonds (distance) P-C4' energy: -7.316
flat angles C4'-P-C4' energy: -8.879
flat angles P-C4'-P energy: -4.269
tors. eta vs tors. theta energy: -6.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -121.172280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.172280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.172280 (E_RNA)
where:
Base-Base interactions energy: -84.100
where: short stacking energy: -33.362
Base-Backbone interact. energy: -0.157
local terms energy: -36.915273
where:
bonds (distance) C4'-P energy: -9.759
bonds (distance) P-C4' energy: -7.221
flat angles C4'-P-C4' energy: -9.296
flat angles P-C4'-P energy: -5.950
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: 10, replica: 8
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -80.730695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.730695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.730695 (E_RNA)
where:
Base-Base interactions energy: -52.951
where: short stacking energy: -29.050
Base-Backbone interact. energy: -0.015
local terms energy: -27.763890
where:
bonds (distance) C4'-P energy: -7.992
bonds (distance) P-C4' energy: -7.037
flat angles C4'-P-C4' energy: -7.708
flat angles P-C4'-P energy: -2.804
tors. eta vs tors. theta energy: -2.224
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: 4
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -140.253731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.253731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.253731 (E_RNA)
where:
Base-Base interactions energy: -101.022
where: short stacking energy: -36.679
Base-Backbone interact. energy: -0.107
local terms energy: -39.125580
where:
bonds (distance) C4'-P energy: -6.124
bonds (distance) P-C4' energy: -8.793
flat angles C4'-P-C4' energy: -7.774
flat angles P-C4'-P energy: -6.341
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: 2, replica: 1
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -142.703716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.703716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.703716 (E_RNA)
where:
Base-Base interactions energy: -97.267
where: short stacking energy: -43.686
Base-Backbone interact. energy: -0.308
local terms energy: -45.128644
where:
bonds (distance) C4'-P energy: -10.392
bonds (distance) P-C4' energy: -8.396
flat angles C4'-P-C4' energy: -9.664
flat angles P-C4'-P energy: -6.247
tors. eta vs tors. theta energy: -10.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -137.698386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.698386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.698386 (E_RNA)
where:
Base-Base interactions energy: -95.256
where: short stacking energy: -44.967
Base-Backbone interact. energy: -0.003
local terms energy: -42.439643
where:
bonds (distance) C4'-P energy: -7.179
bonds (distance) P-C4' energy: -9.620
flat angles C4'-P-C4' energy: -7.226
flat angles P-C4'-P energy: -7.750
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: 4, replica: 3
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -137.687923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.687923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.687923 (E_RNA)
where:
Base-Base interactions energy: -93.056
where: short stacking energy: -44.036
Base-Backbone interact. energy: -0.641
local terms energy: -43.991188
where:
bonds (distance) C4'-P energy: -8.956
bonds (distance) P-C4' energy: -9.548
flat angles C4'-P-C4' energy: -10.938
flat angles P-C4'-P energy: -6.092
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: 5, replica: 5
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -145.137537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.137537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.137537 (E_RNA)
where:
Base-Base interactions energy: -106.003
where: short stacking energy: -42.583
Base-Backbone interact. energy: -0.010
local terms energy: -39.124583
where:
bonds (distance) C4'-P energy: -8.224
bonds (distance) P-C4' energy: -8.890
flat angles C4'-P-C4' energy: -9.047
flat angles P-C4'-P energy: -3.317
tors. eta vs tors. theta energy: -9.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -131.875190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.875190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.875190 (E_RNA)
where:
Base-Base interactions energy: -89.150
where: short stacking energy: -42.718
Base-Backbone interact. energy: -0.089
local terms energy: -42.635271
where:
bonds (distance) C4'-P energy: -7.673
bonds (distance) P-C4' energy: -10.127
flat angles C4'-P-C4' energy: -10.436
flat angles P-C4'-P energy: -3.369
tors. eta vs tors. theta energy: -11.029
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: 9
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -127.342126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.342126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.342126 (E_RNA)
where:
Base-Base interactions energy: -88.149
where: short stacking energy: -40.789
Base-Backbone interact. energy: -0.509
local terms energy: -38.683789
where:
bonds (distance) C4'-P energy: -7.143
bonds (distance) P-C4' energy: -6.595
flat angles C4'-P-C4' energy: -8.930
flat angles P-C4'-P energy: -6.414
tors. eta vs tors. theta energy: -9.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -129.799495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.799495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.799495 (E_RNA)
where:
Base-Base interactions energy: -88.034
where: short stacking energy: -43.067
Base-Backbone interact. energy: 0.384
local terms energy: -42.149565
where:
bonds (distance) C4'-P energy: -8.609
bonds (distance) P-C4' energy: -9.732
flat angles C4'-P-C4' energy: -8.705
flat angles P-C4'-P energy: -6.612
tors. eta vs tors. theta energy: -8.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -121.082279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.082279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.082279 (E_RNA)
where:
Base-Base interactions energy: -85.361
where: short stacking energy: -37.227
Base-Backbone interact. energy: -0.005
local terms energy: -35.716646
where:
bonds (distance) C4'-P energy: -7.419
bonds (distance) P-C4' energy: -10.674
flat angles C4'-P-C4' energy: -4.519
flat angles P-C4'-P energy: -7.194
tors. eta vs tors. theta energy: -5.911
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: 10, replica: 8
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -61.333889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.333889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.333889 (E_RNA)
where:
Base-Base interactions energy: -30.471
where: short stacking energy: -19.619
Base-Backbone interact. energy: -0.148
local terms energy: -30.715196
where:
bonds (distance) C4'-P energy: -6.054
bonds (distance) P-C4' energy: -8.583
flat angles C4'-P-C4' energy: -6.321
flat angles P-C4'-P energy: -5.209
tors. eta vs tors. theta energy: -4.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -148.508612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.508612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.508612 (E_RNA)
where:
Base-Base interactions energy: -112.815
where: short stacking energy: -43.955
Base-Backbone interact. energy: -0.171
local terms energy: -35.522671
where:
bonds (distance) C4'-P energy: -9.474
bonds (distance) P-C4' energy: -7.224
flat angles C4'-P-C4' energy: -7.514
flat angles P-C4'-P energy: -1.695
tors. eta vs tors. theta energy: -9.615
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: 4
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -138.864060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.864060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.864060 (E_RNA)
where:
Base-Base interactions energy: -93.017
where: short stacking energy: -43.187
Base-Backbone interact. energy: 0.871
local terms energy: -46.717650
where:
bonds (distance) C4'-P energy: -7.781
bonds (distance) P-C4' energy: -10.433
flat angles C4'-P-C4' energy: -10.362
flat angles P-C4'-P energy: -7.285
tors. eta vs tors. theta energy: -10.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -136.457518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.457518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.457518 (E_RNA)
where:
Base-Base interactions energy: -93.220
where: short stacking energy: -43.810
Base-Backbone interact. energy: -0.012
local terms energy: -43.225556
where:
bonds (distance) C4'-P energy: -9.155
bonds (distance) P-C4' energy: -10.419
flat angles C4'-P-C4' energy: -8.637
flat angles P-C4'-P energy: -7.085
tors. eta vs tors. theta energy: -7.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -137.328555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.328555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.328555 (E_RNA)
where:
Base-Base interactions energy: -96.963
where: short stacking energy: -46.567
Base-Backbone interact. energy: -1.206
local terms energy: -39.159447
where:
bonds (distance) C4'-P energy: -7.035
bonds (distance) P-C4' energy: -8.886
flat angles C4'-P-C4' energy: -6.455
flat angles P-C4'-P energy: -6.424
tors. eta vs tors. theta energy: -10.360
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: 32
Temperature: 1.100000
Total energy: -129.104349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.104349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.104349 (E_RNA)
where:
Base-Base interactions energy: -89.848
where: short stacking energy: -45.548
Base-Backbone interact. energy: -0.005
local terms energy: -39.251758
where:
bonds (distance) C4'-P energy: -8.169
bonds (distance) P-C4' energy: -6.437
flat angles C4'-P-C4' energy: -8.061
flat angles P-C4'-P energy: -7.013
tors. eta vs tors. theta energy: -9.572
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: 10
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -132.155499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.155499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.155499 (E_RNA)
where:
Base-Base interactions energy: -86.773
where: short stacking energy: -32.329
Base-Backbone interact. energy: -0.182
local terms energy: -45.200226
where:
bonds (distance) C4'-P energy: -6.584
bonds (distance) P-C4' energy: -10.057
flat angles C4'-P-C4' energy: -11.212
flat angles P-C4'-P energy: -7.556
tors. eta vs tors. theta energy: -9.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -131.664422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.664422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.664422 (E_RNA)
where:
Base-Base interactions energy: -89.760
where: short stacking energy: -36.400
Base-Backbone interact. energy: -0.006
local terms energy: -41.898446
where:
bonds (distance) C4'-P energy: -9.441
bonds (distance) P-C4' energy: -8.185
flat angles C4'-P-C4' energy: -10.094
flat angles P-C4'-P energy: -3.855
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: 32
Temperature: 1.250000
Total energy: -129.793243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.793243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.793243 (E_RNA)
where:
Base-Base interactions energy: -89.247
where: short stacking energy: -41.213
Base-Backbone interact. energy: -0.698
local terms energy: -39.847611
where:
bonds (distance) C4'-P energy: -8.435
bonds (distance) P-C4' energy: -8.901
flat angles C4'-P-C4' energy: -4.056
flat angles P-C4'-P energy: -7.764
tors. eta vs tors. theta energy: -10.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -60.535423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.535423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.535423 (E_RNA)
where:
Base-Base interactions energy: -29.720
where: short stacking energy: -29.720
Base-Backbone interact. energy: -0.000
local terms energy: -30.815481
where:
bonds (distance) C4'-P energy: -5.797
bonds (distance) P-C4' energy: -10.905
flat angles C4'-P-C4' energy: -7.035
flat angles P-C4'-P energy: -3.260
tors. eta vs tors. theta energy: -3.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -126.186439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.186439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.186439 (E_RNA)
where:
Base-Base interactions energy: -89.901
where: short stacking energy: -40.183
Base-Backbone interact. energy: -0.942
local terms energy: -35.343634
where:
bonds (distance) C4'-P energy: -5.283
bonds (distance) P-C4' energy: -9.206
flat angles C4'-P-C4' energy: -8.943
flat angles P-C4'-P energy: -5.105
tors. eta vs tors. theta energy: -6.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -147.837870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.837870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.837870 (E_RNA)
where:
Base-Base interactions energy: -109.625
where: short stacking energy: -45.782
Base-Backbone interact. energy: -0.002
local terms energy: -38.211165
where:
bonds (distance) C4'-P energy: -9.234
bonds (distance) P-C4' energy: -10.674
flat angles C4'-P-C4' energy: -7.413
flat angles P-C4'-P energy: -0.875
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: 2, replica: 3
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -144.265332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.265332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.265332 (E_RNA)
where:
Base-Base interactions energy: -98.973
where: short stacking energy: -45.826
Base-Backbone interact. energy: -1.242
local terms energy: -44.050769
where:
bonds (distance) C4'-P energy: -8.314
bonds (distance) P-C4' energy: -9.528
flat angles C4'-P-C4' energy: -9.033
flat angles P-C4'-P energy: -6.754
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: 3, replica: 4
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -137.533740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.533740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.533740 (E_RNA)
where:
Base-Base interactions energy: -92.944
where: short stacking energy: -39.954
Base-Backbone interact. energy: -0.002
local terms energy: -44.587229
where:
bonds (distance) C4'-P energy: -10.161
bonds (distance) P-C4' energy: -9.531
flat angles C4'-P-C4' energy: -9.974
flat angles P-C4'-P energy: -5.297
tors. eta vs tors. theta energy: -9.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -138.729306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.729306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.729306 (E_RNA)
where:
Base-Base interactions energy: -95.525
where: short stacking energy: -43.048
Base-Backbone interact. energy: -1.406
local terms energy: -41.798935
where:
bonds (distance) C4'-P energy: -6.269
bonds (distance) P-C4' energy: -9.037
flat angles C4'-P-C4' energy: -9.033
flat angles P-C4'-P energy: -7.336
tors. eta vs tors. theta energy: -10.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -131.235616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.235616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.235616 (E_RNA)
where:
Base-Base interactions energy: -96.353
where: short stacking energy: -40.256
Base-Backbone interact. energy: -0.017
local terms energy: -34.866317
where:
bonds (distance) C4'-P energy: -7.834
bonds (distance) P-C4' energy: -7.732
flat angles C4'-P-C4' energy: -8.373
flat angles P-C4'-P energy: -4.732
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: 6, replica: 10
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -126.716317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.716317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.716317 (E_RNA)
where:
Base-Base interactions energy: -81.597
where: short stacking energy: -33.471
Base-Backbone interact. energy: -0.335
local terms energy: -44.784190
where:
bonds (distance) C4'-P energy: -9.859
bonds (distance) P-C4' energy: -9.739
flat angles C4'-P-C4' energy: -7.336
flat angles P-C4'-P energy: -8.970
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: 7, replica: 6
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -128.444394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.444394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.444394 (E_RNA)
where:
Base-Base interactions energy: -89.166
where: short stacking energy: -40.030
Base-Backbone interact. energy: -0.004
local terms energy: -39.274164
where:
bonds (distance) C4'-P energy: -6.874
bonds (distance) P-C4' energy: -8.665
flat angles C4'-P-C4' energy: -8.460
flat angles P-C4'-P energy: -5.392
tors. eta vs tors. theta energy: -9.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -127.631240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.631240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.631240 (E_RNA)
where:
Base-Base interactions energy: -88.327
where: short stacking energy: -41.152
Base-Backbone interact. energy: -0.513
local terms energy: -38.791358
where:
bonds (distance) C4'-P energy: -6.336
bonds (distance) P-C4' energy: -10.827
flat angles C4'-P-C4' energy: -8.615
flat angles P-C4'-P energy: -4.732
tors. eta vs tors. theta energy: -8.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -68.273234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.273234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.273234 (E_RNA)
where:
Base-Base interactions energy: -38.299
where: short stacking energy: -25.212
Base-Backbone interact. energy: 3.240
local terms energy: -33.214370
where:
bonds (distance) C4'-P energy: -8.935
bonds (distance) P-C4' energy: -8.883
flat angles C4'-P-C4' energy: -7.283
flat angles P-C4'-P energy: -4.306
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: 10, replica: 2
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -95.150600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.150600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.150600 (E_RNA)
where:
Base-Base interactions energy: -60.727
where: short stacking energy: -21.969
Base-Backbone interact. energy: -0.930
local terms energy: -33.493886
where:
bonds (distance) C4'-P energy: -5.188
bonds (distance) P-C4' energy: -7.998
flat angles C4'-P-C4' energy: -9.253
flat angles P-C4'-P energy: -6.429
tors. eta vs tors. theta energy: -4.626
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: 3
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -142.782661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.782661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.782661 (E_RNA)
where:
Base-Base interactions energy: -97.247
where: short stacking energy: -46.457
Base-Backbone interact. energy: -0.800
local terms energy: -44.735991
where:
bonds (distance) C4'-P energy: -9.644
bonds (distance) P-C4' energy: -8.953
flat angles C4'-P-C4' energy: -9.429
flat angles P-C4'-P energy: -8.012
tors. eta vs tors. theta energy: -8.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -146.460561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.460561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.460561 (E_RNA)
where:
Base-Base interactions energy: -111.385
where: short stacking energy: -46.328
Base-Backbone interact. energy: -0.301
local terms energy: -34.773830
where:
bonds (distance) C4'-P energy: -6.749
bonds (distance) P-C4' energy: -7.058
flat angles C4'-P-C4' energy: -7.593
flat angles P-C4'-P energy: -2.605
tors. eta vs tors. theta energy: -10.769
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: 7
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -138.515874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.515874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.515874 (E_RNA)
where:
Base-Base interactions energy: -99.656
where: short stacking energy: -40.714
Base-Backbone interact. energy: -0.968
local terms energy: -37.891900
where:
bonds (distance) C4'-P energy: -7.958
bonds (distance) P-C4' energy: -7.826
flat angles C4'-P-C4' energy: -7.791
flat angles P-C4'-P energy: -6.022
tors. eta vs tors. theta energy: -8.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -137.847077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.847077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.847077 (E_RNA)
where:
Base-Base interactions energy: -91.591
where: short stacking energy: -43.727
Base-Backbone interact. energy: 0.242
local terms energy: -46.497969
where:
bonds (distance) C4'-P energy: -6.642
bonds (distance) P-C4' energy: -10.917
flat angles C4'-P-C4' energy: -10.715
flat angles P-C4'-P energy: -7.413
tors. eta vs tors. theta energy: -10.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -131.013531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.013531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.013531 (E_RNA)
where:
Base-Base interactions energy: -89.300
where: short stacking energy: -41.280
Base-Backbone interact. energy: -1.066
local terms energy: -40.647641
where:
bonds (distance) C4'-P energy: -9.609
bonds (distance) P-C4' energy: -8.921
flat angles C4'-P-C4' energy: -8.991
flat angles P-C4'-P energy: -5.021
tors. eta vs tors. theta energy: -8.105
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: 10
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -131.925510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.925510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.925510 (E_RNA)
where:
Base-Base interactions energy: -97.826
where: short stacking energy: -41.511
Base-Backbone interact. energy: -0.123
local terms energy: -33.975794
where:
bonds (distance) C4'-P energy: -8.205
bonds (distance) P-C4' energy: -10.451
flat angles C4'-P-C4' energy: -7.556
flat angles P-C4'-P energy: -0.960
tors. eta vs tors. theta energy: -6.804
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: 9
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -127.929516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.929516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.929516 (E_RNA)
where:
Base-Base interactions energy: -92.449
where: short stacking energy: -38.818
Base-Backbone interact. energy: -0.007
local terms energy: -35.473797
where:
bonds (distance) C4'-P energy: -7.301
bonds (distance) P-C4' energy: -9.052
flat angles C4'-P-C4' energy: -7.905
flat angles P-C4'-P energy: -4.444
tors. eta vs tors. theta energy: -6.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -128.639968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.639968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.639968 (E_RNA)
where:
Base-Base interactions energy: -87.728
where: short stacking energy: -41.485
Base-Backbone interact. energy: -0.087
local terms energy: -40.825338
where:
bonds (distance) C4'-P energy: -9.565
bonds (distance) P-C4' energy: -9.528
flat angles C4'-P-C4' energy: -8.613
flat angles P-C4'-P energy: -5.912
tors. eta vs tors. theta energy: -7.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -64.219575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.219575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.219575 (E_RNA)
where:
Base-Base interactions energy: -29.017
where: short stacking energy: -26.496
Base-Backbone interact. energy: 0.933
local terms energy: -36.136233
where:
bonds (distance) C4'-P energy: -8.910
bonds (distance) P-C4' energy: -9.076
flat angles C4'-P-C4' energy: -7.699
flat angles P-C4'-P energy: -6.031
tors. eta vs tors. theta energy: -4.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -54.901135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.901135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.901135 (E_RNA)
where:
Base-Base interactions energy: -21.440
where: short stacking energy: -21.440
Base-Backbone interact. energy: -0.060
local terms energy: -33.400827
where:
bonds (distance) C4'-P energy: -6.233
bonds (distance) P-C4' energy: -9.454
flat angles C4'-P-C4' energy: -9.198
flat angles P-C4'-P energy: -6.653
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: 1, replica: 3
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -142.886038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.886038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.886038 (E_RNA)
where:
Base-Base interactions energy: -98.849
where: short stacking energy: -46.423
Base-Backbone interact. energy: -1.679
local terms energy: -42.358151
where:
bonds (distance) C4'-P energy: -8.165
bonds (distance) P-C4' energy: -7.604
flat angles C4'-P-C4' energy: -10.615
flat angles P-C4'-P energy: -7.680
tors. eta vs tors. theta energy: -8.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -137.702349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.702349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.702349 (E_RNA)
where:
Base-Base interactions energy: -94.634
where: short stacking energy: -43.283
Base-Backbone interact. energy: -2.487
local terms energy: -40.581039
where:
bonds (distance) C4'-P energy: -9.046
bonds (distance) P-C4' energy: -10.913
flat angles C4'-P-C4' energy: -3.405
flat angles P-C4'-P energy: -6.940
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: 3, replica: 1
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -145.845750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.845750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.845750 (E_RNA)
where:
Base-Base interactions energy: -105.537
where: short stacking energy: -46.899
Base-Backbone interact. energy: -0.004
local terms energy: -40.305499
where:
bonds (distance) C4'-P energy: -8.472
bonds (distance) P-C4' energy: -10.647
flat angles C4'-P-C4' energy: -7.556
flat angles P-C4'-P energy: -3.449
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: 4, replica: 4
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -129.832236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.832236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.832236 (E_RNA)
where:
Base-Base interactions energy: -91.888
where: short stacking energy: -31.117
Base-Backbone interact. energy: -0.018
local terms energy: -37.926080
where:
bonds (distance) C4'-P energy: -10.206
bonds (distance) P-C4' energy: -7.042
flat angles C4'-P-C4' energy: -9.037
flat angles P-C4'-P energy: -2.142
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: 5, replica: 5
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -133.892157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.892157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.892157 (E_RNA)
where:
Base-Base interactions energy: -91.599
where: short stacking energy: -44.299
Base-Backbone interact. energy: -1.089
local terms energy: -41.204564
where:
bonds (distance) C4'-P energy: -8.501
bonds (distance) P-C4' energy: -9.242
flat angles C4'-P-C4' energy: -9.672
flat angles P-C4'-P energy: -5.897
tors. eta vs tors. theta energy: -7.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -121.291606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.291606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.291606 (E_RNA)
where:
Base-Base interactions energy: -82.783
where: short stacking energy: -37.572
Base-Backbone interact. energy: 2.773
local terms energy: -41.281394
where:
bonds (distance) C4'-P energy: -9.912
bonds (distance) P-C4' energy: -7.315
flat angles C4'-P-C4' energy: -8.734
flat angles P-C4'-P energy: -6.772
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: 7, replica: 9
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -121.890440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.890440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.890440 (E_RNA)
where:
Base-Base interactions energy: -82.854
where: short stacking energy: -34.401
Base-Backbone interact. energy: -0.001
local terms energy: -39.035789
where:
bonds (distance) C4'-P energy: -5.698
bonds (distance) P-C4' energy: -11.134
flat angles C4'-P-C4' energy: -7.870
flat angles P-C4'-P energy: -6.819
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: 8, replica: 6
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -125.042629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.042629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.042629 (E_RNA)
where:
Base-Base interactions energy: -85.526
where: short stacking energy: -42.551
Base-Backbone interact. energy: -0.071
local terms energy: -39.445418
where:
bonds (distance) C4'-P energy: -8.463
bonds (distance) P-C4' energy: -8.885
flat angles C4'-P-C4' energy: -9.887
flat angles P-C4'-P energy: -6.223
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: 9, replica: 2
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -89.612784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.612784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.612784 (E_RNA)
where:
Base-Base interactions energy: -52.715
where: short stacking energy: -32.436
Base-Backbone interact. energy: -0.442
local terms energy: -36.455624
where:
bonds (distance) C4'-P energy: -9.369
bonds (distance) P-C4' energy: -11.377
flat angles C4'-P-C4' energy: -7.739
flat angles P-C4'-P energy: -5.774
tors. eta vs tors. theta energy: -2.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -53.671203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.671203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.671203 (E_RNA)
where:
Base-Base interactions energy: -23.786
where: short stacking energy: -23.786
Base-Backbone interact. energy: -0.034
local terms energy: -29.850278
where:
bonds (distance) C4'-P energy: -9.601
bonds (distance) P-C4' energy: -5.931
flat angles C4'-P-C4' energy: -7.078
flat angles P-C4'-P energy: -4.171
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: 1, replica: 3
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -150.077985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.077985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.077985 (E_RNA)
where:
Base-Base interactions energy: -110.996
where: short stacking energy: -43.494
Base-Backbone interact. energy: -0.010
local terms energy: -39.071883
where:
bonds (distance) C4'-P energy: -8.385
bonds (distance) P-C4' energy: -9.531
flat angles C4'-P-C4' energy: -7.719
flat angles P-C4'-P energy: -2.925
tors. eta vs tors. theta energy: -10.512
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: 7
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -139.051706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.051706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.051706 (E_RNA)
where:
Base-Base interactions energy: -98.500
where: short stacking energy: -47.431
Base-Backbone interact. energy: -0.056
local terms energy: -40.496589
where:
bonds (distance) C4'-P energy: -9.192
bonds (distance) P-C4' energy: -7.907
flat angles C4'-P-C4' energy: -8.473
flat angles P-C4'-P energy: -4.034
tors. eta vs tors. theta energy: -10.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -131.730429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.730429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.730429 (E_RNA)
where:
Base-Base interactions energy: -90.226
where: short stacking energy: -38.295
Base-Backbone interact. energy: -0.006
local terms energy: -41.498576
where:
bonds (distance) C4'-P energy: -6.894
bonds (distance) P-C4' energy: -9.217
flat angles C4'-P-C4' energy: -10.745
flat angles P-C4'-P energy: -5.609
tors. eta vs tors. theta energy: -9.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -141.330189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.330189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.330189 (E_RNA)
where:
Base-Base interactions energy: -105.393
where: short stacking energy: -41.687
Base-Backbone interact. energy: -0.009
local terms energy: -35.928318
where:
bonds (distance) C4'-P energy: -8.418
bonds (distance) P-C4' energy: -6.546
flat angles C4'-P-C4' energy: -9.744
flat angles P-C4'-P energy: -1.339
tors. eta vs tors. theta energy: -9.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -129.456518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.456518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.456518 (E_RNA)
where:
Base-Base interactions energy: -87.331
where: short stacking energy: -39.536
Base-Backbone interact. energy: -0.152
local terms energy: -41.973585
where:
bonds (distance) C4'-P energy: -7.275
bonds (distance) P-C4' energy: -8.647
flat angles C4'-P-C4' energy: -8.920
flat angles P-C4'-P energy: -8.443
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: 6, replica: 5
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -135.944230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.944230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.944230 (E_RNA)
where:
Base-Base interactions energy: -96.203
where: short stacking energy: -44.428
Base-Backbone interact. energy: -1.067
local terms energy: -38.674317
where:
bonds (distance) C4'-P energy: -3.545
bonds (distance) P-C4' energy: -9.315
flat angles C4'-P-C4' energy: -8.808
flat angles P-C4'-P energy: -7.659
tors. eta vs tors. theta energy: -9.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -122.739688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.739688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.739688 (E_RNA)
where:
Base-Base interactions energy: -82.672
where: short stacking energy: -32.038
Base-Backbone interact. energy: -0.099
local terms energy: -39.969039
where:
bonds (distance) C4'-P energy: -9.805
bonds (distance) P-C4' energy: -9.647
flat angles C4'-P-C4' energy: -6.331
flat angles P-C4'-P energy: -6.782
tors. eta vs tors. theta energy: -7.404
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: 9
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -127.158309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.158309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.158309 (E_RNA)
where:
Base-Base interactions energy: -93.517
where: short stacking energy: -44.261
Base-Backbone interact. energy: -0.467
local terms energy: -33.174334
where:
bonds (distance) C4'-P energy: -8.099
bonds (distance) P-C4' energy: -7.024
flat angles C4'-P-C4' energy: -6.754
flat angles P-C4'-P energy: -4.402
tors. eta vs tors. theta energy: -6.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -64.771437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.771437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.771437 (E_RNA)
where:
Base-Base interactions energy: -35.167
where: short stacking energy: -26.865
Base-Backbone interact. energy: -0.021
local terms energy: -29.583340
where:
bonds (distance) C4'-P energy: -8.944
bonds (distance) P-C4' energy: -9.907
flat angles C4'-P-C4' energy: -7.760
flat angles P-C4'-P energy: 1.134
tors. eta vs tors. theta energy: -4.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -55.820349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.820349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.820349 (E_RNA)
where:
Base-Base interactions energy: -19.552
where: short stacking energy: -19.552
Base-Backbone interact. energy: -0.153
local terms energy: -36.114422
where:
bonds (distance) C4'-P energy: -8.826
bonds (distance) P-C4' energy: -10.662
flat angles C4'-P-C4' energy: -6.934
flat angles P-C4'-P energy: -7.473
tors. eta vs tors. theta energy: -2.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -148.235684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.235684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.235684 (E_RNA)
where:
Base-Base interactions energy: -106.216
where: short stacking energy: -42.174
Base-Backbone interact. energy: -0.076
local terms energy: -41.943911
where:
bonds (distance) C4'-P energy: -10.525
bonds (distance) P-C4' energy: -10.345
flat angles C4'-P-C4' energy: -6.652
flat angles P-C4'-P energy: -1.732
tors. eta vs tors. theta energy: -12.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -139.153483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.153483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.153483 (E_RNA)
where:
Base-Base interactions energy: -95.293
where: short stacking energy: -44.971
Base-Backbone interact. energy: -0.731
local terms energy: -43.129082
where:
bonds (distance) C4'-P energy: -8.756
bonds (distance) P-C4' energy: -10.116
flat angles C4'-P-C4' energy: -6.961
flat angles P-C4'-P energy: -7.503
tors. eta vs tors. theta energy: -9.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -139.104746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.104746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.104746 (E_RNA)
where:
Base-Base interactions energy: -93.197
where: short stacking energy: -44.264
Base-Backbone interact. energy: -1.255
local terms energy: -44.652455
where:
bonds (distance) C4'-P energy: -10.239
bonds (distance) P-C4' energy: -10.172
flat angles C4'-P-C4' energy: -9.423
flat angles P-C4'-P energy: -4.098
tors. eta vs tors. theta energy: -10.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -135.814463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.814463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.814463 (E_RNA)
where:
Base-Base interactions energy: -94.153
where: short stacking energy: -41.410
Base-Backbone interact. energy: -0.685
local terms energy: -40.976371
where:
bonds (distance) C4'-P energy: -9.014
bonds (distance) P-C4' energy: -6.358
flat angles C4'-P-C4' energy: -8.680
flat angles P-C4'-P energy: -5.996
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: 5, replica: 1
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -136.134151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.134151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.134151 (E_RNA)
where:
Base-Base interactions energy: -105.630
where: short stacking energy: -40.513
Base-Backbone interact. energy: -0.832
local terms energy: -29.672896
where:
bonds (distance) C4'-P energy: -7.444
bonds (distance) P-C4' energy: -3.885
flat angles C4'-P-C4' energy: -6.695
flat angles P-C4'-P energy: -1.845
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: 6, replica: 6
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -126.024796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.024796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.024796 (E_RNA)
where:
Base-Base interactions energy: -91.245
where: short stacking energy: -40.196
Base-Backbone interact. energy: -0.006
local terms energy: -34.774413
where:
bonds (distance) C4'-P energy: -10.640
bonds (distance) P-C4' energy: -5.485
flat angles C4'-P-C4' energy: -7.752
flat angles P-C4'-P energy: -2.625
tors. eta vs tors. theta energy: -8.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -127.075890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.075890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.075890 (E_RNA)
where:
Base-Base interactions energy: -87.916
where: short stacking energy: -39.536
Base-Backbone interact. energy: -0.345
local terms energy: -38.815134
where:
bonds (distance) C4'-P energy: -7.706
bonds (distance) P-C4' energy: -10.429
flat angles C4'-P-C4' energy: -6.312
flat angles P-C4'-P energy: -5.179
tors. eta vs tors. theta energy: -9.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -126.662990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.662990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.662990 (E_RNA)
where:
Base-Base interactions energy: -87.916
where: short stacking energy: -46.111
Base-Backbone interact. energy: -0.018
local terms energy: -38.729707
where:
bonds (distance) C4'-P energy: -5.843
bonds (distance) P-C4' energy: -8.914
flat angles C4'-P-C4' energy: -9.881
flat angles P-C4'-P energy: -6.419
tors. eta vs tors. theta energy: -7.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -64.776405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.776405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.776405 (E_RNA)
where:
Base-Base interactions energy: -32.190
where: short stacking energy: -32.190
Base-Backbone interact. energy: -0.002
local terms energy: -32.584605
where:
bonds (distance) C4'-P energy: -6.642
bonds (distance) P-C4' energy: -7.890
flat angles C4'-P-C4' energy: -6.857
flat angles P-C4'-P energy: -6.206
tors. eta vs tors. theta energy: -4.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -52.993491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.993491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.993491 (E_RNA)
where:
Base-Base interactions energy: -23.589
where: short stacking energy: -23.589
Base-Backbone interact. energy: -0.013
local terms energy: -29.391716
where:
bonds (distance) C4'-P energy: -8.430
bonds (distance) P-C4' energy: -9.543
flat angles C4'-P-C4' energy: -6.361
flat angles P-C4'-P energy: -4.052
tors. eta vs tors. theta energy: -1.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -140.850328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.850328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.850328 (E_RNA)
where:
Base-Base interactions energy: -98.032
where: short stacking energy: -44.374
Base-Backbone interact. energy: 0.937
local terms energy: -43.755170
where:
bonds (distance) C4'-P energy: -9.519
bonds (distance) P-C4' energy: -8.463
flat angles C4'-P-C4' energy: -9.308
flat angles P-C4'-P energy: -7.147
tors. eta vs tors. theta energy: -9.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -152.010497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.010497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.010497 (E_RNA)
where:
Base-Base interactions energy: -114.938
where: short stacking energy: -46.260
Base-Backbone interact. energy: -0.008
local terms energy: -37.065297
where:
bonds (distance) C4'-P energy: -5.755
bonds (distance) P-C4' energy: -10.553
flat angles C4'-P-C4' energy: -7.708
flat angles P-C4'-P energy: -2.070
tors. eta vs tors. theta energy: -10.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -137.080746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.080746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.080746 (E_RNA)
where:
Base-Base interactions energy: -90.139
where: short stacking energy: -38.420
Base-Backbone interact. energy: -1.200
local terms energy: -45.742024
where:
bonds (distance) C4'-P energy: -10.740
bonds (distance) P-C4' energy: -11.607
flat angles C4'-P-C4' energy: -10.647
flat angles P-C4'-P energy: -5.227
tors. eta vs tors. theta energy: -7.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -138.188380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.188380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.188380 (E_RNA)
where:
Base-Base interactions energy: -93.395
where: short stacking energy: -42.411
Base-Backbone interact. energy: -0.664
local terms energy: -44.128935
where:
bonds (distance) C4'-P energy: -9.113
bonds (distance) P-C4' energy: -8.666
flat angles C4'-P-C4' energy: -9.672
flat angles P-C4'-P energy: -5.877
tors. eta vs tors. theta energy: -10.801
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: 5, replica: 6
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -126.385545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.385545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.385545 (E_RNA)
where:
Base-Base interactions energy: -80.734
where: short stacking energy: -37.165
Base-Backbone interact. energy: -0.004
local terms energy: -45.648127
where:
bonds (distance) C4'-P energy: -8.862
bonds (distance) P-C4' energy: -10.333
flat angles C4'-P-C4' energy: -8.566
flat angles P-C4'-P energy: -8.376
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: 6, replica: 1
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -127.571601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.571601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.571601 (E_RNA)
where:
Base-Base interactions energy: -84.137
where: short stacking energy: -34.757
Base-Backbone interact. energy: -0.152
local terms energy: -43.282410
where:
bonds (distance) C4'-P energy: -8.960
bonds (distance) P-C4' energy: -8.186
flat angles C4'-P-C4' energy: -10.446
flat angles P-C4'-P energy: -6.001
tors. eta vs tors. theta energy: -9.689
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: 5
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -132.314275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.314275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.314275 (E_RNA)
where:
Base-Base interactions energy: -86.852
where: short stacking energy: -42.358
Base-Backbone interact. energy: -1.121
local terms energy: -44.342073
where:
bonds (distance) C4'-P energy: -7.609
bonds (distance) P-C4' energy: -10.066
flat angles C4'-P-C4' energy: -10.018
flat angles P-C4'-P energy: -7.323
tors. eta vs tors. theta energy: -9.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -125.651512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.651512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.651512 (E_RNA)
where:
Base-Base interactions energy: -83.392
where: short stacking energy: -36.648
Base-Backbone interact. energy: -1.146
local terms energy: -41.113137
where:
bonds (distance) C4'-P energy: -6.606
bonds (distance) P-C4' energy: -10.842
flat angles C4'-P-C4' energy: -6.821
flat angles P-C4'-P energy: -6.957
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: 9, replica: 2
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -63.378694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.378694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.378694 (E_RNA)
where:
Base-Base interactions energy: -33.110
where: short stacking energy: -17.355
Base-Backbone interact. energy: -0.988
local terms energy: -29.280212
where:
bonds (distance) C4'-P energy: -8.803
bonds (distance) P-C4' energy: -8.650
flat angles C4'-P-C4' energy: -7.544
flat angles P-C4'-P energy: -4.525
tors. eta vs tors. theta energy: 0.241
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: 10, replica: 8
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -59.017081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.017081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.017081 (E_RNA)
where:
Base-Base interactions energy: -21.401
where: short stacking energy: -21.401
Base-Backbone interact. energy: 1.223
local terms energy: -38.838888
where:
bonds (distance) C4'-P energy: -8.704
bonds (distance) P-C4' energy: -8.234
flat angles C4'-P-C4' energy: -9.380
flat angles P-C4'-P energy: -7.650
tors. eta vs tors. theta energy: -4.870
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: 1, replica: 7
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -142.894555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.894555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.894555 (E_RNA)
where:
Base-Base interactions energy: -95.883
where: short stacking energy: -44.669
Base-Backbone interact. energy: -0.829
local terms energy: -46.182978
where:
bonds (distance) C4'-P energy: -9.672
bonds (distance) P-C4' energy: -10.088
flat angles C4'-P-C4' energy: -8.904
flat angles P-C4'-P energy: -6.869
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: 2, replica: 10
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -139.785407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.785407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.785407 (E_RNA)
where:
Base-Base interactions energy: -92.676
where: short stacking energy: -44.016
Base-Backbone interact. energy: -0.819
local terms energy: -46.289947
where:
bonds (distance) C4'-P energy: -10.061
bonds (distance) P-C4' energy: -10.898
flat angles C4'-P-C4' energy: -10.803
flat angles P-C4'-P energy: -5.458
tors. eta vs tors. theta energy: -9.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -148.356144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.356144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.356144 (E_RNA)
where:
Base-Base interactions energy: -108.529
where: short stacking energy: -42.657
Base-Backbone interact. energy: -0.064
local terms energy: -39.763298
where:
bonds (distance) C4'-P energy: -10.177
bonds (distance) P-C4' energy: -10.659
flat angles C4'-P-C4' energy: -9.483
flat angles P-C4'-P energy: 0.021
tors. eta vs tors. theta energy: -9.466
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: 6
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -125.269915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.269915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.269915 (E_RNA)
where:
Base-Base interactions energy: -88.469
where: short stacking energy: -44.756
Base-Backbone interact. energy: -0.022
local terms energy: -36.778953
where:
bonds (distance) C4'-P energy: -9.681
bonds (distance) P-C4' energy: -2.180
flat angles C4'-P-C4' energy: -9.968
flat angles P-C4'-P energy: -6.431
tors. eta vs tors. theta energy: -8.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -128.132880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.132880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.132880 (E_RNA)
where:
Base-Base interactions energy: -86.946
where: short stacking energy: -38.512
Base-Backbone interact. energy: -1.042
local terms energy: -40.144006
where:
bonds (distance) C4'-P energy: -10.223
bonds (distance) P-C4' energy: -9.245
flat angles C4'-P-C4' energy: -9.048
flat angles P-C4'-P energy: -5.685
tors. eta vs tors. theta energy: -5.943
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: 6, replica: 5
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -129.116421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.116421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.116421 (E_RNA)
where:
Base-Base interactions energy: -88.760
where: short stacking energy: -39.073
Base-Backbone interact. energy: -0.041
local terms energy: -40.314674
where:
bonds (distance) C4'-P energy: -10.864
bonds (distance) P-C4' energy: -9.175
flat angles C4'-P-C4' energy: -8.219
flat angles P-C4'-P energy: -4.673
tors. eta vs tors. theta energy: -7.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -126.575270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.575270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.575270 (E_RNA)
where:
Base-Base interactions energy: -88.073
where: short stacking energy: -40.401
Base-Backbone interact. energy: -0.443
local terms energy: -38.058794
where:
bonds (distance) C4'-P energy: -4.369
bonds (distance) P-C4' energy: -8.868
flat angles C4'-P-C4' energy: -8.639
flat angles P-C4'-P energy: -7.816
tors. eta vs tors. theta energy: -8.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -65.268121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.268121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.268121 (E_RNA)
where:
Base-Base interactions energy: -32.820
where: short stacking energy: -25.681
Base-Backbone interact. energy: -0.121
local terms energy: -32.327802
where:
bonds (distance) C4'-P energy: -5.653
bonds (distance) P-C4' energy: -7.030
flat angles C4'-P-C4' energy: -8.475
flat angles P-C4'-P energy: -7.128
tors. eta vs tors. theta energy: -4.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -128.777577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.777577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.777577 (E_RNA)
where:
Base-Base interactions energy: -87.587
where: short stacking energy: -37.677
Base-Backbone interact. energy: -0.005
local terms energy: -41.186460
where:
bonds (distance) C4'-P energy: -10.268
bonds (distance) P-C4' energy: -10.444
flat angles C4'-P-C4' energy: -7.900
flat angles P-C4'-P energy: -3.793
tors. eta vs tors. theta energy: -8.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -57.634175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.634175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.634175 (E_RNA)
where:
Base-Base interactions energy: -25.812
where: short stacking energy: -25.812
Base-Backbone interact. energy: -0.002
local terms energy: -31.819935
where:
bonds (distance) C4'-P energy: -7.089
bonds (distance) P-C4' energy: -9.539
flat angles C4'-P-C4' energy: -6.485
flat angles P-C4'-P energy: -5.095
tors. eta vs tors. theta energy: -3.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -141.699595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.699595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.699595 (E_RNA)
where:
Base-Base interactions energy: -97.651
where: short stacking energy: -46.037
Base-Backbone interact. energy: 0.151
local terms energy: -44.200084
where:
bonds (distance) C4'-P energy: -9.192
bonds (distance) P-C4' energy: -9.411
flat angles C4'-P-C4' energy: -7.681
flat angles P-C4'-P energy: -8.374
tors. eta vs tors. theta energy: -9.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -138.107112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.107112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.107112 (E_RNA)
where:
Base-Base interactions energy: -95.456
where: short stacking energy: -44.011
Base-Backbone interact. energy: 0.769
local terms energy: -43.419818
where:
bonds (distance) C4'-P energy: -7.921
bonds (distance) P-C4' energy: -9.545
flat angles C4'-P-C4' energy: -10.194
flat angles P-C4'-P energy: -7.079
tors. eta vs tors. theta energy: -8.680
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: 3
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -139.879503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.879503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.879503 (E_RNA)
where:
Base-Base interactions energy: -97.110
where: short stacking energy: -46.757
Base-Backbone interact. energy: -0.002
local terms energy: -42.767617
where:
bonds (distance) C4'-P energy: -6.935
bonds (distance) P-C4' energy: -8.776
flat angles C4'-P-C4' energy: -10.060
flat angles P-C4'-P energy: -7.362
tors. eta vs tors. theta energy: -9.634
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: 6
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -128.003588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.003588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.003588 (E_RNA)
where:
Base-Base interactions energy: -86.720
where: short stacking energy: -37.184
Base-Backbone interact. energy: -2.371
local terms energy: -38.913020
where:
bonds (distance) C4'-P energy: -8.435
bonds (distance) P-C4' energy: -9.408
flat angles C4'-P-C4' energy: -8.190
flat angles P-C4'-P energy: -5.053
tors. eta vs tors. theta energy: -7.827
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: 5, replica: 5
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -137.201385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.201385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.201385 (E_RNA)
where:
Base-Base interactions energy: -104.288
where: short stacking energy: -43.739
Base-Backbone interact. energy: -0.035
local terms energy: -32.877916
where:
bonds (distance) C4'-P energy: -7.142
bonds (distance) P-C4' energy: -10.391
flat angles C4'-P-C4' energy: -7.239
flat angles P-C4'-P energy: 0.561
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: 6, replica: 4
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -136.084467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.084467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.084467 (E_RNA)
where:
Base-Base interactions energy: -91.613
where: short stacking energy: -39.962
Base-Backbone interact. energy: -1.480
local terms energy: -42.991619
where:
bonds (distance) C4'-P energy: -8.438
bonds (distance) P-C4' energy: -8.858
flat angles C4'-P-C4' energy: -8.604
flat angles P-C4'-P energy: -5.557
tors. eta vs tors. theta energy: -11.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -73.665787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.665787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.665787 (E_RNA)
where:
Base-Base interactions energy: -34.259
where: short stacking energy: -34.259
Base-Backbone interact. energy: -0.013
local terms energy: -39.393826
where:
bonds (distance) C4'-P energy: -8.363
bonds (distance) P-C4' energy: -9.954
flat angles C4'-P-C4' energy: -7.026
flat angles P-C4'-P energy: -5.069
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: 8, replica: 1
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -131.534999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.534999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.534999 (E_RNA)
where:
Base-Base interactions energy: -89.018
where: short stacking energy: -40.729
Base-Backbone interact. energy: -0.002
local terms energy: -42.514781
where:
bonds (distance) C4'-P energy: -7.167
bonds (distance) P-C4' energy: -9.200
flat angles C4'-P-C4' energy: -10.246
flat angles P-C4'-P energy: -5.807
tors. eta vs tors. theta energy: -10.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -119.871172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.871172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.871172 (E_RNA)
where:
Base-Base interactions energy: -82.379
where: short stacking energy: -37.777
Base-Backbone interact. energy: -0.543
local terms energy: -36.948826
where:
bonds (distance) C4'-P energy: -6.699
bonds (distance) P-C4' energy: -10.616
flat angles C4'-P-C4' energy: -8.736
flat angles P-C4'-P energy: -4.156
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: 10, replica: 8
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -69.559946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.559946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.559946 (E_RNA)
where:
Base-Base interactions energy: -38.953
where: short stacking energy: -26.910
Base-Backbone interact. energy: -0.062
local terms energy: -30.545081
where:
bonds (distance) C4'-P energy: -3.760
bonds (distance) P-C4' energy: -9.714
flat angles C4'-P-C4' energy: -7.059
flat angles P-C4'-P energy: -5.099
tors. eta vs tors. theta energy: -4.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -142.223754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.223754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.223754 (E_RNA)
where:
Base-Base interactions energy: -95.052
where: short stacking energy: -45.950
Base-Backbone interact. energy: -1.066
local terms energy: -46.105994
where:
bonds (distance) C4'-P energy: -8.480
bonds (distance) P-C4' energy: -11.110
flat angles C4'-P-C4' energy: -9.411
flat angles P-C4'-P energy: -7.255
tors. eta vs tors. theta energy: -9.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -139.864573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.864573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.864573 (E_RNA)
where:
Base-Base interactions energy: -98.098
where: short stacking energy: -46.443
Base-Backbone interact. energy: -0.006
local terms energy: -41.760660
where:
bonds (distance) C4'-P energy: -9.477
bonds (distance) P-C4' energy: -5.909
flat angles C4'-P-C4' energy: -9.902
flat angles P-C4'-P energy: -6.233
tors. eta vs tors. theta energy: -10.239
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: 3
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -138.804590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.804590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.804590 (E_RNA)
where:
Base-Base interactions energy: -93.194
where: short stacking energy: -43.981
Base-Backbone interact. energy: -0.338
local terms energy: -45.272128
where:
bonds (distance) C4'-P energy: -9.423
bonds (distance) P-C4' energy: -9.463
flat angles C4'-P-C4' energy: -10.089
flat angles P-C4'-P energy: -4.831
tors. eta vs tors. theta energy: -11.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -136.148156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.148156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.148156 (E_RNA)
where:
Base-Base interactions energy: -93.461
where: short stacking energy: -43.785
Base-Backbone interact. energy: -1.603
local terms energy: -41.084549
where:
bonds (distance) C4'-P energy: -10.107
bonds (distance) P-C4' energy: -6.209
flat angles C4'-P-C4' energy: -8.394
flat angles P-C4'-P energy: -6.033
tors. eta vs tors. theta energy: -10.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -132.693659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.693659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.693659 (E_RNA)
where:
Base-Base interactions energy: -90.075
where: short stacking energy: -42.601
Base-Backbone interact. energy: -1.873
local terms energy: -40.745147
where:
bonds (distance) C4'-P energy: -8.794
bonds (distance) P-C4' energy: -8.531
flat angles C4'-P-C4' energy: -9.020
flat angles P-C4'-P energy: -5.727
tors. eta vs tors. theta energy: -8.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -126.251547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.251547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.251547 (E_RNA)
where:
Base-Base interactions energy: -85.532
where: short stacking energy: -35.037
Base-Backbone interact. energy: -0.029
local terms energy: -40.690481
where:
bonds (distance) C4'-P energy: -9.035
bonds (distance) P-C4' energy: -9.647
flat angles C4'-P-C4' energy: -9.580
flat angles P-C4'-P energy: -6.154
tors. eta vs tors. theta energy: -6.275
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: 7, replica: 2
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -73.460973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.460973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.460973 (E_RNA)
where:
Base-Base interactions energy: -38.697
where: short stacking energy: -33.865
Base-Backbone interact. energy: -0.002
local terms energy: -34.761777
where:
bonds (distance) C4'-P energy: -5.586
bonds (distance) P-C4' energy: -8.627
flat angles C4'-P-C4' energy: -9.807
flat angles P-C4'-P energy: -4.485
tors. eta vs tors. theta energy: -6.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -129.237554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.237554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.237554 (E_RNA)
where:
Base-Base interactions energy: -93.727
where: short stacking energy: -35.791
Base-Backbone interact. energy: -0.089
local terms energy: -35.421696
where:
bonds (distance) C4'-P energy: -8.678
bonds (distance) P-C4' energy: -5.679
flat angles C4'-P-C4' energy: -7.916
flat angles P-C4'-P energy: -6.086
tors. eta vs tors. theta energy: -7.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -124.355990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.355990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.355990 (E_RNA)
where:
Base-Base interactions energy: -89.256
where: short stacking energy: -41.585
Base-Backbone interact. energy: -0.007
local terms energy: -35.093000
where:
bonds (distance) C4'-P energy: -6.452
bonds (distance) P-C4' energy: -8.364
flat angles C4'-P-C4' energy: -9.604
flat angles P-C4'-P energy: 1.498
tors. eta vs tors. theta energy: -12.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -50.732089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.732089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.732089 (E_RNA)
where:
Base-Base interactions energy: -23.740
where: short stacking energy: -11.888
Base-Backbone interact. energy: 0.769
local terms energy: -27.760846
where:
bonds (distance) C4'-P energy: -5.976
bonds (distance) P-C4' energy: -7.447
flat angles C4'-P-C4' energy: -8.297
flat angles P-C4'-P energy: -7.017
tors. eta vs tors. theta energy: 0.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -142.691563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.691563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.691563 (E_RNA)
where:
Base-Base interactions energy: -95.549
where: short stacking energy: -43.798
Base-Backbone interact. energy: -0.004
local terms energy: -47.139152
where:
bonds (distance) C4'-P energy: -10.090
bonds (distance) P-C4' energy: -10.426
flat angles C4'-P-C4' energy: -10.210
flat angles P-C4'-P energy: -7.031
tors. eta vs tors. theta energy: -9.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -144.911467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.911467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.911467 (E_RNA)
where:
Base-Base interactions energy: -106.509
where: short stacking energy: -45.258
Base-Backbone interact. energy: -0.038
local terms energy: -38.364155
where:
bonds (distance) C4'-P energy: -9.593
bonds (distance) P-C4' energy: -7.777
flat angles C4'-P-C4' energy: -7.127
flat angles P-C4'-P energy: -1.631
tors. eta vs tors. theta energy: -12.236
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: 5
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -136.151592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.151592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.151592 (E_RNA)
where:
Base-Base interactions energy: -92.324
where: short stacking energy: -43.166
Base-Backbone interact. energy: -1.370
local terms energy: -42.457615
where:
bonds (distance) C4'-P energy: -5.985
bonds (distance) P-C4' energy: -10.426
flat angles C4'-P-C4' energy: -7.648
flat angles P-C4'-P energy: -7.892
tors. eta vs tors. theta energy: -10.507
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: 3
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -140.027368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.027368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.027368 (E_RNA)
where:
Base-Base interactions energy: -94.145
where: short stacking energy: -43.809
Base-Backbone interact. energy: -0.001
local terms energy: -45.881578
where:
bonds (distance) C4'-P energy: -8.516
bonds (distance) P-C4' energy: -10.917
flat angles C4'-P-C4' energy: -10.231
flat angles P-C4'-P energy: -5.262
tors. eta vs tors. theta energy: -10.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -135.536795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.536795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.536795 (E_RNA)
where:
Base-Base interactions energy: -92.804
where: short stacking energy: -42.788
Base-Backbone interact. energy: -0.239
local terms energy: -42.493867
where:
bonds (distance) C4'-P energy: -9.138
bonds (distance) P-C4' energy: -8.690
flat angles C4'-P-C4' energy: -7.667
flat angles P-C4'-P energy: -5.635
tors. eta vs tors. theta energy: -11.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -131.395586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.395586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.395586 (E_RNA)
where:
Base-Base interactions energy: -85.909
where: short stacking energy: -36.976
Base-Backbone interact. energy: -0.206
local terms energy: -45.280506
where:
bonds (distance) C4'-P energy: -10.115
bonds (distance) P-C4' energy: -10.677
flat angles C4'-P-C4' energy: -8.165
flat angles P-C4'-P energy: -8.391
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: 7, replica: 9
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -126.739254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.739254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.739254 (E_RNA)
where:
Base-Base interactions energy: -82.561
where: short stacking energy: -36.453
Base-Backbone interact. energy: -0.530
local terms energy: -43.648484
where:
bonds (distance) C4'-P energy: -8.099
bonds (distance) P-C4' energy: -10.408
flat angles C4'-P-C4' energy: -8.543
flat angles P-C4'-P energy: -6.085
tors. eta vs tors. theta energy: -10.513
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: 2
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -65.615579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.615579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.615579 (E_RNA)
where:
Base-Base interactions energy: -29.943
where: short stacking energy: -27.981
Base-Backbone interact. energy: -0.001
local terms energy: -35.670903
where:
bonds (distance) C4'-P energy: -9.084
bonds (distance) P-C4' energy: -4.766
flat angles C4'-P-C4' energy: -10.009
flat angles P-C4'-P energy: -4.627
tors. eta vs tors. theta energy: -7.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -120.839539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.839539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.839539 (E_RNA)
where:
Base-Base interactions energy: -86.262
where: short stacking energy: -40.984
Base-Backbone interact. energy: -0.090
local terms energy: -34.487233
where:
bonds (distance) C4'-P energy: -9.088
bonds (distance) P-C4' energy: -3.670
flat angles C4'-P-C4' energy: -9.967
flat angles P-C4'-P energy: -4.493
tors. eta vs tors. theta energy: -7.268
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: 8
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -69.960475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.960475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.960475 (E_RNA)
where:
Base-Base interactions energy: -36.801
where: short stacking energy: -33.214
Base-Backbone interact. energy: 0.908
local terms energy: -34.067796
where:
bonds (distance) C4'-P energy: -9.743
bonds (distance) P-C4' energy: -8.935
flat angles C4'-P-C4' energy: -8.627
flat angles P-C4'-P energy: -1.555
tors. eta vs tors. theta energy: -5.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -145.402319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.402319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.402319 (E_RNA)
where:
Base-Base interactions energy: -108.160
where: short stacking energy: -45.025
Base-Backbone interact. energy: -0.217
local terms energy: -37.025661
where:
bonds (distance) C4'-P energy: -9.142
bonds (distance) P-C4' energy: -8.026
flat angles C4'-P-C4' energy: -7.752
flat angles P-C4'-P energy: -3.617
tors. eta vs tors. theta energy: -8.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -141.604182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.604182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.604182 (E_RNA)
where:
Base-Base interactions energy: -96.392
where: short stacking energy: -44.831
Base-Backbone interact. energy: -1.759
local terms energy: -43.453255
where:
bonds (distance) C4'-P energy: -9.466
bonds (distance) P-C4' energy: -7.996
flat angles C4'-P-C4' energy: -9.653
flat angles P-C4'-P energy: -7.952
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: 3, replica: 10
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -137.099947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.099947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.099947 (E_RNA)
where:
Base-Base interactions energy: -89.611
where: short stacking energy: -41.044
Base-Backbone interact. energy: -2.147
local terms energy: -45.341550
where:
bonds (distance) C4'-P energy: -10.756
bonds (distance) P-C4' energy: -10.669
flat angles C4'-P-C4' energy: -7.576
flat angles P-C4'-P energy: -8.202
tors. eta vs tors. theta energy: -8.138
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: 4
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -142.065277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.065277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.065277 (E_RNA)
where:
Base-Base interactions energy: -96.762
where: short stacking energy: -45.325
Base-Backbone interact. energy: -0.795
local terms energy: -44.508088
where:
bonds (distance) C4'-P energy: -8.799
bonds (distance) P-C4' energy: -9.147
flat angles C4'-P-C4' energy: -10.329
flat angles P-C4'-P energy: -6.138
tors. eta vs tors. theta energy: -10.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -140.011653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.011653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.011653 (E_RNA)
where:
Base-Base interactions energy: -93.666
where: short stacking energy: -44.122
Base-Backbone interact. energy: -0.397
local terms energy: -45.948690
where:
bonds (distance) C4'-P energy: -8.178
bonds (distance) P-C4' energy: -11.110
flat angles C4'-P-C4' energy: -7.740
flat angles P-C4'-P energy: -6.987
tors. eta vs tors. theta energy: -11.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -131.794517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.794517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.794517 (E_RNA)
where:
Base-Base interactions energy: -89.247
where: short stacking energy: -43.080
Base-Backbone interact. energy: -1.301
local terms energy: -41.246059
where:
bonds (distance) C4'-P energy: -5.918
bonds (distance) P-C4' energy: -9.708
flat angles C4'-P-C4' energy: -8.482
flat angles P-C4'-P energy: -7.717
tors. eta vs tors. theta energy: -9.422
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: 7, replica: 6
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -127.058428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.058428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.058428 (E_RNA)
where:
Base-Base interactions energy: -93.401
where: short stacking energy: -39.625
Base-Backbone interact. energy: -0.049
local terms energy: -33.608303
where:
bonds (distance) C4'-P energy: -8.632
bonds (distance) P-C4' energy: -6.014
flat angles C4'-P-C4' energy: -6.671
flat angles P-C4'-P energy: -3.279
tors. eta vs tors. theta energy: -9.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -132.803467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.803467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.803467 (E_RNA)
where:
Base-Base interactions energy: -98.065
where: short stacking energy: -41.094
Base-Backbone interact. energy: -0.734
local terms energy: -34.004018
where:
bonds (distance) C4'-P energy: -8.559
bonds (distance) P-C4' energy: -6.069
flat angles C4'-P-C4' energy: -4.952
flat angles P-C4'-P energy: -5.835
tors. eta vs tors. theta energy: -8.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -58.080527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.080527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.080527 (E_RNA)
where:
Base-Base interactions energy: -23.665
where: short stacking energy: -23.665
Base-Backbone interact. energy: -0.063
local terms energy: -34.351611
where:
bonds (distance) C4'-P energy: -6.522
bonds (distance) P-C4' energy: -8.776
flat angles C4'-P-C4' energy: -5.991
flat angles P-C4'-P energy: -8.728
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: 10, replica: 8
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -58.549592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.549592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.549592 (E_RNA)
where:
Base-Base interactions energy: -30.931
where: short stacking energy: -30.931
Base-Backbone interact. energy: -0.001
local terms energy: -27.618446
where:
bonds (distance) C4'-P energy: 0.470
bonds (distance) P-C4' energy: -9.901
flat angles C4'-P-C4' energy: -8.446
flat angles P-C4'-P energy: -2.536
tors. eta vs tors. theta energy: -7.205
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: 44
Temperature: 0.900000
Total energy: -143.707678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.707678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.707678 (E_RNA)
where:
Base-Base interactions energy: -98.994
where: short stacking energy: -43.737
Base-Backbone interact. energy: -0.155
local terms energy: -44.558838
where:
bonds (distance) C4'-P energy: -8.728
bonds (distance) P-C4' energy: -10.680
flat angles C4'-P-C4' energy: -9.504
flat angles P-C4'-P energy: -6.004
tors. eta vs tors. theta energy: -9.643
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: 7
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -140.953368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.953368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.953368 (E_RNA)
where:
Base-Base interactions energy: -97.999
where: short stacking energy: -43.763
Base-Backbone interact. energy: -1.709
local terms energy: -41.245480
where:
bonds (distance) C4'-P energy: -9.088
bonds (distance) P-C4' energy: -7.221
flat angles C4'-P-C4' energy: -10.553
flat angles P-C4'-P energy: -4.462
tors. eta vs tors. theta energy: -9.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -138.811779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.811779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.811779 (E_RNA)
where:
Base-Base interactions energy: -91.587
where: short stacking energy: -40.000
Base-Backbone interact. energy: -0.028
local terms energy: -47.197153
where:
bonds (distance) C4'-P energy: -9.705
bonds (distance) P-C4' energy: -11.113
flat angles C4'-P-C4' energy: -10.045
flat angles P-C4'-P energy: -6.540
tors. eta vs tors. theta energy: -9.794
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: 4, replica: 4
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -138.372715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.372715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.372715 (E_RNA)
where:
Base-Base interactions energy: -96.154
where: short stacking energy: -45.128
Base-Backbone interact. energy: -0.522
local terms energy: -41.696397
where:
bonds (distance) C4'-P energy: -7.213
bonds (distance) P-C4' energy: -9.595
flat angles C4'-P-C4' energy: -8.307
flat angles P-C4'-P energy: -9.557
tors. eta vs tors. theta energy: -7.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -134.921575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.921575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.921575 (E_RNA)
where:
Base-Base interactions energy: -92.368
where: short stacking energy: -42.704
Base-Backbone interact. energy: -1.670
local terms energy: -40.883593
where:
bonds (distance) C4'-P energy: -9.308
bonds (distance) P-C4' energy: -8.855
flat angles C4'-P-C4' energy: -6.975
flat angles P-C4'-P energy: -5.721
tors. eta vs tors. theta energy: -10.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -131.997326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.997326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.997326 (E_RNA)
where:
Base-Base interactions energy: -90.118
where: short stacking energy: -42.726
Base-Backbone interact. energy: -0.293
local terms energy: -41.586661
where:
bonds (distance) C4'-P energy: -6.948
bonds (distance) P-C4' energy: -9.187
flat angles C4'-P-C4' energy: -10.685
flat angles P-C4'-P energy: -7.080
tors. eta vs tors. theta energy: -7.687
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: 1
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -125.943549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.943549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.943549 (E_RNA)
where:
Base-Base interactions energy: -88.551
where: short stacking energy: -42.634
Base-Backbone interact. energy: 1.958
local terms energy: -39.350157
where:
bonds (distance) C4'-P energy: -7.113
bonds (distance) P-C4' energy: -9.532
flat angles C4'-P-C4' energy: -8.105
flat angles P-C4'-P energy: -4.647
tors. eta vs tors. theta energy: -9.952
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: 8, replica: 6
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -127.506591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.506591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.506591 (E_RNA)
where:
Base-Base interactions energy: -84.275
where: short stacking energy: -34.953
Base-Backbone interact. energy: -1.193
local terms energy: -42.038341
where:
bonds (distance) C4'-P energy: -7.908
bonds (distance) P-C4' energy: -9.432
flat angles C4'-P-C4' energy: -8.698
flat angles P-C4'-P energy: -5.178
tors. eta vs tors. theta energy: -10.822
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: 9, replica: 8
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -59.613049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.613049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.613049 (E_RNA)
where:
Base-Base interactions energy: -27.710
where: short stacking energy: -24.774
Base-Backbone interact. energy: 0.162
local terms energy: -32.064293
where:
bonds (distance) C4'-P energy: -8.418
bonds (distance) P-C4' energy: -6.784
flat angles C4'-P-C4' energy: -7.596
flat angles P-C4'-P energy: -4.980
tors. eta vs tors. theta energy: -4.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -64.666955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.666955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.666955 (E_RNA)
where:
Base-Base interactions energy: -30.276
where: short stacking energy: -30.276
Base-Backbone interact. energy: -0.046
local terms energy: -34.344905
where:
bonds (distance) C4'-P energy: -9.043
bonds (distance) P-C4' energy: -9.082
flat angles C4'-P-C4' energy: -7.006
flat angles P-C4'-P energy: -4.552
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: 5
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -145.011418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.011418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.011418 (E_RNA)
where:
Base-Base interactions energy: -98.550
where: short stacking energy: -46.706
Base-Backbone interact. energy: -0.920
local terms energy: -45.540671
where:
bonds (distance) C4'-P energy: -10.309
bonds (distance) P-C4' energy: -10.867
flat angles C4'-P-C4' energy: -9.241
flat angles P-C4'-P energy: -6.457
tors. eta vs tors. theta energy: -8.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -140.340038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.340038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.340038 (E_RNA)
where:
Base-Base interactions energy: -93.642
where: short stacking energy: -44.066
Base-Backbone interact. energy: 0.510
local terms energy: -47.208543
where:
bonds (distance) C4'-P energy: -9.485
bonds (distance) P-C4' energy: -9.081
flat angles C4'-P-C4' energy: -10.127
flat angles P-C4'-P energy: -8.304
tors. eta vs tors. theta energy: -10.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -139.590179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.590179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.590179 (E_RNA)
where:
Base-Base interactions energy: -94.582
where: short stacking energy: -44.888
Base-Backbone interact. energy: -0.023
local terms energy: -44.985500
where:
bonds (distance) C4'-P energy: -9.717
bonds (distance) P-C4' energy: -8.861
flat angles C4'-P-C4' energy: -10.437
flat angles P-C4'-P energy: -7.033
tors. eta vs tors. theta energy: -8.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -129.608707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.608707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.608707 (E_RNA)
where:
Base-Base interactions energy: -89.060
where: short stacking energy: -42.323
Base-Backbone interact. energy: -0.002
local terms energy: -40.547135
where:
bonds (distance) C4'-P energy: -8.162
bonds (distance) P-C4' energy: -5.931
flat angles C4'-P-C4' energy: -8.636
flat angles P-C4'-P energy: -7.288
tors. eta vs tors. theta energy: -10.530
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: 4
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -134.391428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.391428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.391428 (E_RNA)
where:
Base-Base interactions energy: -94.042
where: short stacking energy: -40.517
Base-Backbone interact. energy: 0.193
local terms energy: -40.542770
where:
bonds (distance) C4'-P energy: -8.413
bonds (distance) P-C4' energy: -8.454
flat angles C4'-P-C4' energy: -9.386
flat angles P-C4'-P energy: -7.637
tors. eta vs tors. theta energy: -6.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -133.958385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.958385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.958385 (E_RNA)
where:
Base-Base interactions energy: -90.170
where: short stacking energy: -41.036
Base-Backbone interact. energy: -0.346
local terms energy: -43.443181
where:
bonds (distance) C4'-P energy: -8.108
bonds (distance) P-C4' energy: -9.625
flat angles C4'-P-C4' energy: -9.140
flat angles P-C4'-P energy: -6.900
tors. eta vs tors. theta energy: -9.670
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: 3
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -130.711594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.711594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.711594 (E_RNA)
where:
Base-Base interactions energy: -91.817
where: short stacking energy: -42.096
Base-Backbone interact. energy: 1.055
local terms energy: -39.949403
where:
bonds (distance) C4'-P energy: -8.128
bonds (distance) P-C4' energy: -9.274
flat angles C4'-P-C4' energy: -7.732
flat angles P-C4'-P energy: -6.793
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: 8, replica: 6
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -121.919804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.919804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.919804 (E_RNA)
where:
Base-Base interactions energy: -82.258
where: short stacking energy: -30.437
Base-Backbone interact. energy: -0.877
local terms energy: -38.784425
where:
bonds (distance) C4'-P energy: -7.639
bonds (distance) P-C4' energy: -7.696
flat angles C4'-P-C4' energy: -8.215
flat angles P-C4'-P energy: -7.872
tors. eta vs tors. theta energy: -7.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -73.436725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.436725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.436725 (E_RNA)
where:
Base-Base interactions energy: -37.738
where: short stacking energy: -37.738
Base-Backbone interact. energy: -0.002
local terms energy: -35.696398
where:
bonds (distance) C4'-P energy: -8.272
bonds (distance) P-C4' energy: -8.336
flat angles C4'-P-C4' energy: -6.156
flat angles P-C4'-P energy: -5.680
tors. eta vs tors. theta energy: -7.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -66.433585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.433585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.433585 (E_RNA)
where:
Base-Base interactions energy: -30.737
where: short stacking energy: -18.891
Base-Backbone interact. energy: -0.010
local terms energy: -35.686419
where:
bonds (distance) C4'-P energy: -7.647
bonds (distance) P-C4' energy: -8.985
flat angles C4'-P-C4' energy: -8.599
flat angles P-C4'-P energy: -4.603
tors. eta vs tors. theta energy: -5.852
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: 1, replica: 10
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -140.600139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.600139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.600139 (E_RNA)
where:
Base-Base interactions energy: -98.355
where: short stacking energy: -45.428
Base-Backbone interact. energy: -0.500
local terms energy: -41.744814
where:
bonds (distance) C4'-P energy: -8.152
bonds (distance) P-C4' energy: -8.113
flat angles C4'-P-C4' energy: -8.150
flat angles P-C4'-P energy: -7.370
tors. eta vs tors. theta energy: -9.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -141.765781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.765781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.765781 (E_RNA)
where:
Base-Base interactions energy: -99.580
where: short stacking energy: -47.334
Base-Backbone interact. energy: -1.327
local terms energy: -40.858929
where:
bonds (distance) C4'-P energy: -9.689
bonds (distance) P-C4' energy: -9.112
flat angles C4'-P-C4' energy: -8.358
flat angles P-C4'-P energy: -3.610
tors. eta vs tors. theta energy: -10.089
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: 9
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -135.380578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.380578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.380578 (E_RNA)
where:
Base-Base interactions energy: -90.506
where: short stacking energy: -41.008
Base-Backbone interact. energy: 0.530
local terms energy: -45.404335
where:
bonds (distance) C4'-P energy: -10.665
bonds (distance) P-C4' energy: -8.591
flat angles C4'-P-C4' energy: -9.084
flat angles P-C4'-P energy: -5.882
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: 4, replica: 7
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -134.150255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.150255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.150255 (E_RNA)
where:
Base-Base interactions energy: -90.436
where: short stacking energy: -38.640
Base-Backbone interact. energy: -0.302
local terms energy: -43.412075
where:
bonds (distance) C4'-P energy: -8.828
bonds (distance) P-C4' energy: -9.253
flat angles C4'-P-C4' energy: -9.597
flat angles P-C4'-P energy: -7.330
tors. eta vs tors. theta energy: -8.405
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: 1
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -137.434337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.434337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.434337 (E_RNA)
where:
Base-Base interactions energy: -94.374
where: short stacking energy: -44.265
Base-Backbone interact. energy: -0.003
local terms energy: -43.057401
where:
bonds (distance) C4'-P energy: -7.444
bonds (distance) P-C4' energy: -9.081
flat angles C4'-P-C4' energy: -7.589
flat angles P-C4'-P energy: -6.444
tors. eta vs tors. theta energy: -12.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -130.037784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.037784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.037784 (E_RNA)
where:
Base-Base interactions energy: -83.593
where: short stacking energy: -34.721
Base-Backbone interact. energy: -1.154
local terms energy: -45.290658
where:
bonds (distance) C4'-P energy: -7.577
bonds (distance) P-C4' energy: -11.367
flat angles C4'-P-C4' energy: -8.952
flat angles P-C4'-P energy: -7.768
tors. eta vs tors. theta energy: -9.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -132.265303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.265303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.265303 (E_RNA)
where:
Base-Base interactions energy: -91.706
where: short stacking energy: -41.384
Base-Backbone interact. energy: -0.221
local terms energy: -40.338027
where:
bonds (distance) C4'-P energy: -6.571
bonds (distance) P-C4' energy: -9.993
flat angles C4'-P-C4' energy: -8.805
flat angles P-C4'-P energy: -5.369
tors. eta vs tors. theta energy: -9.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -120.878597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.878597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.878597 (E_RNA)
where:
Base-Base interactions energy: -82.960
where: short stacking energy: -33.099
Base-Backbone interact. energy: -0.441
local terms energy: -37.476895
where:
bonds (distance) C4'-P energy: -6.351
bonds (distance) P-C4' energy: -5.980
flat angles C4'-P-C4' energy: -8.799
flat angles P-C4'-P energy: -6.536
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: 9, replica: 2
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -60.356441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.356441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.356441 (E_RNA)
where:
Base-Base interactions energy: -31.453
where: short stacking energy: -31.453
Base-Backbone interact. energy: -0.119
local terms energy: -28.784179
where:
bonds (distance) C4'-P energy: -4.762
bonds (distance) P-C4' energy: -5.199
flat angles C4'-P-C4' energy: -6.045
flat angles P-C4'-P energy: -6.051
tors. eta vs tors. theta energy: -6.727
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: 8
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -66.363391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.363391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.363391 (E_RNA)
where:
Base-Base interactions energy: -33.854
where: short stacking energy: -21.719
Base-Backbone interact. energy: -0.051
local terms energy: -32.458465
where:
bonds (distance) C4'-P energy: -4.597
bonds (distance) P-C4' energy: -9.116
flat angles C4'-P-C4' energy: -5.816
flat angles P-C4'-P energy: -8.325
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: 1, replica: 10
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -142.683935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.683935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.683935 (E_RNA)
where:
Base-Base interactions energy: -96.805
where: short stacking energy: -44.688
Base-Backbone interact. energy: -1.056
local terms energy: -44.822565
where:
bonds (distance) C4'-P energy: -10.247
bonds (distance) P-C4' energy: -10.208
flat angles C4'-P-C4' energy: -8.861
flat angles P-C4'-P energy: -5.942
tors. eta vs tors. theta energy: -9.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -141.030736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.030736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.030736 (E_RNA)
where:
Base-Base interactions energy: -93.360
where: short stacking energy: -42.009
Base-Backbone interact. energy: -0.752
local terms energy: -46.918048
where:
bonds (distance) C4'-P energy: -7.127
bonds (distance) P-C4' energy: -10.116
flat angles C4'-P-C4' energy: -11.704
flat angles P-C4'-P energy: -8.227
tors. eta vs tors. theta energy: -9.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -137.408260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.408260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.408260 (E_RNA)
where:
Base-Base interactions energy: -90.905
where: short stacking energy: -40.048
Base-Backbone interact. energy: -0.675
local terms energy: -45.828287
where:
bonds (distance) C4'-P energy: -7.880
bonds (distance) P-C4' energy: -9.383
flat angles C4'-P-C4' energy: -9.092
flat angles P-C4'-P energy: -8.789
tors. eta vs tors. theta energy: -10.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -132.635324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.635324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.635324 (E_RNA)
where:
Base-Base interactions energy: -89.790
where: short stacking energy: -41.827
Base-Backbone interact. energy: -0.004
local terms energy: -42.841040
where:
bonds (distance) C4'-P energy: -8.191
bonds (distance) P-C4' energy: -9.591
flat angles C4'-P-C4' energy: -9.177
flat angles P-C4'-P energy: -5.410
tors. eta vs tors. theta energy: -10.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -125.647063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.647063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.647063 (E_RNA)
where:
Base-Base interactions energy: -87.069
where: short stacking energy: -38.534
Base-Backbone interact. energy: -1.221
local terms energy: -37.357583
where:
bonds (distance) C4'-P energy: -8.144
bonds (distance) P-C4' energy: -7.770
flat angles C4'-P-C4' energy: -6.946
flat angles P-C4'-P energy: -6.608
tors. eta vs tors. theta energy: -7.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -131.414425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.414425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.414425 (E_RNA)
where:
Base-Base interactions energy: -89.716
where: short stacking energy: -41.645
Base-Backbone interact. energy: -1.133
local terms energy: -40.565610
where:
bonds (distance) C4'-P energy: -6.028
bonds (distance) P-C4' energy: -7.218
flat angles C4'-P-C4' energy: -10.119
flat angles P-C4'-P energy: -7.015
tors. eta vs tors. theta energy: -10.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -121.434879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.434879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.434879 (E_RNA)
where:
Base-Base interactions energy: -80.192
where: short stacking energy: -29.893
Base-Backbone interact. energy: -0.096
local terms energy: -41.147406
where:
bonds (distance) C4'-P energy: -9.779
bonds (distance) P-C4' energy: -9.503
flat angles C4'-P-C4' energy: -9.557
flat angles P-C4'-P energy: -6.714
tors. eta vs tors. theta energy: -5.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -123.747532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.747532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.747532 (E_RNA)
where:
Base-Base interactions energy: -85.871
where: short stacking energy: -31.757
Base-Backbone interact. energy: -0.310
local terms energy: -37.566054
where:
bonds (distance) C4'-P energy: -9.432
bonds (distance) P-C4' energy: -9.092
flat angles C4'-P-C4' energy: -6.825
flat angles P-C4'-P energy: -2.953
tors. eta vs tors. theta energy: -9.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -61.180539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.180539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.180539 (E_RNA)
where:
Base-Base interactions energy: -34.092
where: short stacking energy: -28.585
Base-Backbone interact. energy: -0.071
local terms energy: -27.017792
where:
bonds (distance) C4'-P energy: -6.485
bonds (distance) P-C4' energy: -10.211
flat angles C4'-P-C4' energy: -8.317
flat angles P-C4'-P energy: 1.730
tors. eta vs tors. theta energy: -3.735
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: 8
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -71.594487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.594487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.594487 (E_RNA)
where:
Base-Base interactions energy: -37.970
where: short stacking energy: -18.970
Base-Backbone interact. energy: -0.392
local terms energy: -33.232687
where:
bonds (distance) C4'-P energy: -9.813
bonds (distance) P-C4' energy: -8.625
flat angles C4'-P-C4' energy: -6.155
flat angles P-C4'-P energy: -4.358
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: 9
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -141.904354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.904354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.904354 (E_RNA)
where:
Base-Base interactions energy: -95.706
where: short stacking energy: -45.172
Base-Backbone interact. energy: -1.797
local terms energy: -44.401120
where:
bonds (distance) C4'-P energy: -9.146
bonds (distance) P-C4' energy: -7.737
flat angles C4'-P-C4' energy: -10.764
flat angles P-C4'-P energy: -6.754
tors. eta vs tors. theta energy: -10.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -141.332399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.332399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.332399 (E_RNA)
where:
Base-Base interactions energy: -94.481
where: short stacking energy: -44.161
Base-Backbone interact. energy: -0.899
local terms energy: -45.952445
where:
bonds (distance) C4'-P energy: -8.472
bonds (distance) P-C4' energy: -10.917
flat angles C4'-P-C4' energy: -8.817
flat angles P-C4'-P energy: -8.848
tors. eta vs tors. theta energy: -8.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -134.028711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.028711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.028711 (E_RNA)
where:
Base-Base interactions energy: -92.226
where: short stacking energy: -42.521
Base-Backbone interact. energy: -1.828
local terms energy: -39.974767
where:
bonds (distance) C4'-P energy: -7.536
bonds (distance) P-C4' energy: -8.745
flat angles C4'-P-C4' energy: -9.937
flat angles P-C4'-P energy: -5.511
tors. eta vs tors. theta energy: -8.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -141.141855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.141855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.141855 (E_RNA)
where:
Base-Base interactions energy: -95.235
where: short stacking energy: -46.537
Base-Backbone interact. energy: -0.008
local terms energy: -45.899366
where:
bonds (distance) C4'-P energy: -8.708
bonds (distance) P-C4' energy: -10.873
flat angles C4'-P-C4' energy: -11.073
flat angles P-C4'-P energy: -5.329
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: 5, replica: 4
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -128.623764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.623764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.623764 (E_RNA)
where:
Base-Base interactions energy: -89.557
where: short stacking energy: -38.633
Base-Backbone interact. energy: -1.163
local terms energy: -37.903137
where:
bonds (distance) C4'-P energy: -8.268
bonds (distance) P-C4' energy: -8.132
flat angles C4'-P-C4' energy: -8.051
flat angles P-C4'-P energy: -6.762
tors. eta vs tors. theta energy: -6.689
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: 48
Temperature: 1.150000
Total energy: -136.411999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.411999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.411999 (E_RNA)
where:
Base-Base interactions energy: -95.805
where: short stacking energy: -44.198
Base-Backbone interact. energy: -2.038
local terms energy: -38.568914
where:
bonds (distance) C4'-P energy: -5.562
bonds (distance) P-C4' energy: -9.119
flat angles C4'-P-C4' energy: -9.142
flat angles P-C4'-P energy: -5.660
tors. eta vs tors. theta energy: -9.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -132.144497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.144497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.144497 (E_RNA)
where:
Base-Base interactions energy: -94.929
where: short stacking energy: -44.795
Base-Backbone interact. energy: -0.290
local terms energy: -36.925251
where:
bonds (distance) C4'-P energy: -5.142
bonds (distance) P-C4' energy: -7.350
flat angles C4'-P-C4' energy: -7.736
flat angles P-C4'-P energy: -5.601
tors. eta vs tors. theta energy: -11.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -125.735286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.735286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.735286 (E_RNA)
where:
Base-Base interactions energy: -89.508
where: short stacking energy: -31.544
Base-Backbone interact. energy: 0.268
local terms energy: -36.495339
where:
bonds (distance) C4'-P energy: -6.902
bonds (distance) P-C4' energy: -8.417
flat angles C4'-P-C4' energy: -8.804
flat angles P-C4'-P energy: -4.703
tors. eta vs tors. theta energy: -7.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -63.475419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.475419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.475419 (E_RNA)
where:
Base-Base interactions energy: -34.334
where: short stacking energy: -34.334
Base-Backbone interact. energy: -0.100
local terms energy: -29.042076
where:
bonds (distance) C4'-P energy: -1.227
bonds (distance) P-C4' energy: -10.413
flat angles C4'-P-C4' energy: -6.103
flat angles P-C4'-P energy: -5.569
tors. eta vs tors. theta energy: -5.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -61.016198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.016198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.016198 (E_RNA)
where:
Base-Base interactions energy: -30.678
where: short stacking energy: -12.864
Base-Backbone interact. energy: 0.159
local terms energy: -30.497811
where:
bonds (distance) C4'-P energy: -8.738
bonds (distance) P-C4' energy: -6.417
flat angles C4'-P-C4' energy: -7.989
flat angles P-C4'-P energy: -5.655
tors. eta vs tors. theta energy: -1.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -142.952937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.952937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.952937 (E_RNA)
where:
Base-Base interactions energy: -97.477
where: short stacking energy: -45.765
Base-Backbone interact. energy: -0.200
local terms energy: -45.276767
where:
bonds (distance) C4'-P energy: -8.144
bonds (distance) P-C4' energy: -9.724
flat angles C4'-P-C4' energy: -9.860
flat angles P-C4'-P energy: -6.803
tors. eta vs tors. theta energy: -10.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -140.268099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.268099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.268099 (E_RNA)
where:
Base-Base interactions energy: -93.255
where: short stacking energy: -43.413
Base-Backbone interact. energy: -1.545
local terms energy: -45.468715
where:
bonds (distance) C4'-P energy: -9.361
bonds (distance) P-C4' energy: -9.628
flat angles C4'-P-C4' energy: -8.360
flat angles P-C4'-P energy: -7.678
tors. eta vs tors. theta energy: -10.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -138.292893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.292893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.292893 (E_RNA)
where:
Base-Base interactions energy: -98.199
where: short stacking energy: -44.723
Base-Backbone interact. energy: -0.045
local terms energy: -40.048297
where:
bonds (distance) C4'-P energy: -8.145
bonds (distance) P-C4' energy: -8.527
flat angles C4'-P-C4' energy: -10.298
flat angles P-C4'-P energy: -4.949
tors. eta vs tors. theta energy: -8.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -135.584716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.584716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.584716 (E_RNA)
where:
Base-Base interactions energy: -97.229
where: short stacking energy: -45.752
Base-Backbone interact. energy: 0.444
local terms energy: -38.799930
where:
bonds (distance) C4'-P energy: -5.934
bonds (distance) P-C4' energy: -8.252
flat angles C4'-P-C4' energy: -9.102
flat angles P-C4'-P energy: -4.671
tors. eta vs tors. theta energy: -10.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -138.448342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.448342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.448342 (E_RNA)
where:
Base-Base interactions energy: -96.345
where: short stacking energy: -43.983
Base-Backbone interact. energy: -0.030
local terms energy: -42.073353
where:
bonds (distance) C4'-P energy: -8.431
bonds (distance) P-C4' energy: -10.186
flat angles C4'-P-C4' energy: -9.299
flat angles P-C4'-P energy: -5.590
tors. eta vs tors. theta energy: -8.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -127.999674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.999674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.999674 (E_RNA)
where:
Base-Base interactions energy: -92.541
where: short stacking energy: -43.359
Base-Backbone interact. energy: -1.334
local terms energy: -34.124345
where:
bonds (distance) C4'-P energy: -3.954
bonds (distance) P-C4' energy: -7.206
flat angles C4'-P-C4' energy: -9.818
flat angles P-C4'-P energy: -3.070
tors. eta vs tors. theta energy: -10.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -134.318179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.318179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.318179 (E_RNA)
where:
Base-Base interactions energy: -94.685
where: short stacking energy: -42.706
Base-Backbone interact. energy: -1.303
local terms energy: -38.329708
where:
bonds (distance) C4'-P energy: -8.128
bonds (distance) P-C4' energy: -10.091
flat angles C4'-P-C4' energy: -7.982
flat angles P-C4'-P energy: -4.027
tors. eta vs tors. theta energy: -8.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -113.396606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.396606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.396606 (E_RNA)
where:
Base-Base interactions energy: -81.594
where: short stacking energy: -32.003
Base-Backbone interact. energy: -0.105
local terms energy: -31.697513
where:
bonds (distance) C4'-P energy: -6.298
bonds (distance) P-C4' energy: -7.799
flat angles C4'-P-C4' energy: -8.224
flat angles P-C4'-P energy: -2.923
tors. eta vs tors. theta energy: -6.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -59.852552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.852552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.852552 (E_RNA)
where:
Base-Base interactions energy: -25.099
where: short stacking energy: -22.601
Base-Backbone interact. energy: -0.394
local terms energy: -34.359452
where:
bonds (distance) C4'-P energy: -9.415
bonds (distance) P-C4' energy: -10.895
flat angles C4'-P-C4' energy: -8.948
flat angles P-C4'-P energy: -4.080
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: 10, replica: 2
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -58.521769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.521769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.521769 (E_RNA)
where:
Base-Base interactions energy: -25.860
where: short stacking energy: -25.860
Base-Backbone interact. energy: -0.001
local terms energy: -32.660878
where:
bonds (distance) C4'-P energy: -7.247
bonds (distance) P-C4' energy: -10.920
flat angles C4'-P-C4' energy: -5.415
flat angles P-C4'-P energy: -6.221
tors. eta vs tors. theta energy: -2.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -149.194981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.194981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.194981 (E_RNA)
where:
Base-Base interactions energy: -98.657
where: short stacking energy: -47.728
Base-Backbone interact. energy: -1.148
local terms energy: -49.390581
where:
bonds (distance) C4'-P energy: -9.332
bonds (distance) P-C4' energy: -10.416
flat angles C4'-P-C4' energy: -10.202
flat angles P-C4'-P energy: -9.175
tors. eta vs tors. theta energy: -10.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -144.413837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.413837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.413837 (E_RNA)
where:
Base-Base interactions energy: -95.008
where: short stacking energy: -42.684
Base-Backbone interact. energy: -1.310
local terms energy: -48.095025
where:
bonds (distance) C4'-P energy: -9.557
bonds (distance) P-C4' energy: -11.110
flat angles C4'-P-C4' energy: -10.603
flat angles P-C4'-P energy: -7.882
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: 3, replica: 4
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -137.232945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.232945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.232945 (E_RNA)
where:
Base-Base interactions energy: -91.026
where: short stacking energy: -43.491
Base-Backbone interact. energy: -0.192
local terms energy: -46.015549
where:
bonds (distance) C4'-P energy: -9.795
bonds (distance) P-C4' energy: -9.284
flat angles C4'-P-C4' energy: -9.504
flat angles P-C4'-P energy: -7.524
tors. eta vs tors. theta energy: -9.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -133.168894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.168894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.168894 (E_RNA)
where:
Base-Base interactions energy: -99.887
where: short stacking energy: -40.649
Base-Backbone interact. energy: -0.007
local terms energy: -33.275016
where:
bonds (distance) C4'-P energy: -6.088
bonds (distance) P-C4' energy: -10.563
flat angles C4'-P-C4' energy: -8.499
flat angles P-C4'-P energy: -1.662
tors. eta vs tors. theta energy: -6.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -133.975733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.975733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.975733 (E_RNA)
where:
Base-Base interactions energy: -90.816
where: short stacking energy: -42.798
Base-Backbone interact. energy: -0.908
local terms energy: -42.252360
where:
bonds (distance) C4'-P energy: -7.204
bonds (distance) P-C4' energy: -9.528
flat angles C4'-P-C4' energy: -7.698
flat angles P-C4'-P energy: -6.468
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: 5
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -132.835593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.835593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.835593 (E_RNA)
where:
Base-Base interactions energy: -94.564
where: short stacking energy: -43.673
Base-Backbone interact. energy: -0.367
local terms energy: -37.904097
where:
bonds (distance) C4'-P energy: -5.570
bonds (distance) P-C4' energy: -9.389
flat angles C4'-P-C4' energy: -10.126
flat angles P-C4'-P energy: -5.204
tors. eta vs tors. theta energy: -7.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -128.584550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.584550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.584550 (E_RNA)
where:
Base-Base interactions energy: -94.276
where: short stacking energy: -44.778
Base-Backbone interact. energy: -0.031
local terms energy: -34.276957
where:
bonds (distance) C4'-P energy: -5.284
bonds (distance) P-C4' energy: -9.500
flat angles C4'-P-C4' energy: -3.666
flat angles P-C4'-P energy: -6.576
tors. eta vs tors. theta energy: -9.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -106.073160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.073160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.073160 (E_RNA)
where:
Base-Base interactions energy: -76.361
where: short stacking energy: -30.976
Base-Backbone interact. energy: -0.449
local terms energy: -29.263718
where:
bonds (distance) C4'-P energy: -5.251
bonds (distance) P-C4' energy: -8.193
flat angles C4'-P-C4' energy: -5.502
flat angles P-C4'-P energy: -4.155
tors. eta vs tors. theta energy: -6.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -67.552087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.552087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.552087 (E_RNA)
where:
Base-Base interactions energy: -34.475
where: short stacking energy: -34.475
Base-Backbone interact. energy: -0.005
local terms energy: -33.071863
where:
bonds (distance) C4'-P energy: -6.369
bonds (distance) P-C4' energy: -11.134
flat angles C4'-P-C4' energy: -5.543
flat angles P-C4'-P energy: -4.454
tors. eta vs tors. theta energy: -5.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -64.839035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.839035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.839035 (E_RNA)
where:
Base-Base interactions energy: -30.992
where: short stacking energy: -30.992
Base-Backbone interact. energy: -0.101
local terms energy: -33.746476
where:
bonds (distance) C4'-P energy: -8.244
bonds (distance) P-C4' energy: -10.230
flat angles C4'-P-C4' energy: -8.225
flat angles P-C4'-P energy: -2.011
tors. eta vs tors. theta energy: -5.037
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: 9
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -145.608392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.608392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.608392 (E_RNA)
where:
Base-Base interactions energy: -98.417
where: short stacking energy: -46.870
Base-Backbone interact. energy: -2.102
local terms energy: -45.089604
where:
bonds (distance) C4'-P energy: -8.195
bonds (distance) P-C4' energy: -10.230
flat angles C4'-P-C4' energy: -9.274
flat angles P-C4'-P energy: -7.143
tors. eta vs tors. theta energy: -10.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -143.923741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.923741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.923741 (E_RNA)
where:
Base-Base interactions energy: -102.301
where: short stacking energy: -40.665
Base-Backbone interact. energy: -0.332
local terms energy: -41.291213
where:
bonds (distance) C4'-P energy: -8.800
bonds (distance) P-C4' energy: -11.092
flat angles C4'-P-C4' energy: -9.852
flat angles P-C4'-P energy: -2.118
tors. eta vs tors. theta energy: -9.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -130.982741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.982741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.982741 (E_RNA)
where:
Base-Base interactions energy: -87.781
where: short stacking energy: -38.041
Base-Backbone interact. energy: -0.037
local terms energy: -43.164867
where:
bonds (distance) C4'-P energy: -8.393
bonds (distance) P-C4' energy: -10.383
flat angles C4'-P-C4' energy: -9.573
flat angles P-C4'-P energy: -7.512
tors. eta vs tors. theta energy: -7.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -140.694357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.694357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.694357 (E_RNA)
where:
Base-Base interactions energy: -97.423
where: short stacking energy: -46.400
Base-Backbone interact. energy: -1.599
local terms energy: -41.671781
where:
bonds (distance) C4'-P energy: -10.008
bonds (distance) P-C4' energy: -8.538
flat angles C4'-P-C4' energy: -7.393
flat angles P-C4'-P energy: -5.663
tors. eta vs tors. theta energy: -10.071
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: 7
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -133.451519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.451519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.451519 (E_RNA)
where:
Base-Base interactions energy: -89.263
where: short stacking energy: -40.073
Base-Backbone interact. energy: -0.863
local terms energy: -43.324610
where:
bonds (distance) C4'-P energy: -6.610
bonds (distance) P-C4' energy: -10.070
flat angles C4'-P-C4' energy: -8.359
flat angles P-C4'-P energy: -6.980
tors. eta vs tors. theta energy: -11.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -125.484832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.484832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.484832 (E_RNA)
where:
Base-Base interactions energy: -88.983
where: short stacking energy: -42.373
Base-Backbone interact. energy: 0.413
local terms energy: -36.915094
where:
bonds (distance) C4'-P energy: -6.008
bonds (distance) P-C4' energy: -10.902
flat angles C4'-P-C4' energy: -7.826
flat angles P-C4'-P energy: -6.102
tors. eta vs tors. theta energy: -6.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -121.757732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.757732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.757732 (E_RNA)
where:
Base-Base interactions energy: -87.110
where: short stacking energy: -39.182
Base-Backbone interact. energy: -0.005
local terms energy: -34.642947
where:
bonds (distance) C4'-P energy: -7.072
bonds (distance) P-C4' energy: -10.226
flat angles C4'-P-C4' energy: -7.988
flat angles P-C4'-P energy: -0.887
tors. eta vs tors. theta energy: -8.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -60.989367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.989367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.989367 (E_RNA)
where:
Base-Base interactions energy: -31.859
where: short stacking energy: -22.020
Base-Backbone interact. energy: -0.000
local terms energy: -29.129669
where:
bonds (distance) C4'-P energy: -6.058
bonds (distance) P-C4' energy: -7.318
flat angles C4'-P-C4' energy: -8.560
flat angles P-C4'-P energy: -5.172
tors. eta vs tors. theta energy: -2.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -60.571571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.571571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.571571 (E_RNA)
where:
Base-Base interactions energy: -29.731
where: short stacking energy: -19.710
Base-Backbone interact. energy: -0.090
local terms energy: -30.749911
where:
bonds (distance) C4'-P energy: -9.014
bonds (distance) P-C4' energy: -10.070
flat angles C4'-P-C4' energy: -6.627
flat angles P-C4'-P energy: -2.987
tors. eta vs tors. theta energy: -2.051
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: 8
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -55.175234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.175234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.175234 (E_RNA)
where:
Base-Base interactions energy: -29.691
where: short stacking energy: -29.691
Base-Backbone interact. energy: 0.297
local terms energy: -25.782069
where:
bonds (distance) C4'-P energy: -1.869
bonds (distance) P-C4' energy: -11.141
flat angles C4'-P-C4' energy: -3.469
flat angles P-C4'-P energy: -2.690
tors. eta vs tors. theta energy: -6.612
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: 4
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -141.188794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.188794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.188794 (E_RNA)
where:
Base-Base interactions energy: -95.026
where: short stacking energy: -43.378
Base-Backbone interact. energy: -0.024
local terms energy: -46.138433
where:
bonds (distance) C4'-P energy: -8.848
bonds (distance) P-C4' energy: -11.346
flat angles C4'-P-C4' energy: -9.019
flat angles P-C4'-P energy: -6.884
tors. eta vs tors. theta energy: -10.041
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: 9
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -143.094261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.094261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.094261 (E_RNA)
where:
Base-Base interactions energy: -98.249
where: short stacking energy: -48.036
Base-Backbone interact. energy: -1.158
local terms energy: -43.686401
where:
bonds (distance) C4'-P energy: -10.384
bonds (distance) P-C4' energy: -8.263
flat angles C4'-P-C4' energy: -6.067
flat angles P-C4'-P energy: -7.375
tors. eta vs tors. theta energy: -11.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -141.730225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.730225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.730225 (E_RNA)
where:
Base-Base interactions energy: -94.291
where: short stacking energy: -44.503
Base-Backbone interact. energy: -1.625
local terms energy: -45.814525
where:
bonds (distance) C4'-P energy: -9.937
bonds (distance) P-C4' energy: -9.500
flat angles C4'-P-C4' energy: -7.237
flat angles P-C4'-P energy: -6.294
tors. eta vs tors. theta energy: -12.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -137.140264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.140264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.140264 (E_RNA)
where:
Base-Base interactions energy: -97.846
where: short stacking energy: -47.439
Base-Backbone interact. energy: -0.006
local terms energy: -39.288008
where:
bonds (distance) C4'-P energy: -5.818
bonds (distance) P-C4' energy: -8.365
flat angles C4'-P-C4' energy: -9.949
flat angles P-C4'-P energy: -5.442
tors. eta vs tors. theta energy: -9.714
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: 1
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -127.077768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.077768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.077768 (E_RNA)
where:
Base-Base interactions energy: -83.427
where: short stacking energy: -33.256
Base-Backbone interact. energy: -1.786
local terms energy: -41.864337
where:
bonds (distance) C4'-P energy: -8.795
bonds (distance) P-C4' energy: -9.270
flat angles C4'-P-C4' energy: -8.886
flat angles P-C4'-P energy: -8.022
tors. eta vs tors. theta energy: -6.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -129.754818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.754818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.754818 (E_RNA)
where:
Base-Base interactions energy: -88.093
where: short stacking energy: -36.970
Base-Backbone interact. energy: -0.721
local terms energy: -40.941322
where:
bonds (distance) C4'-P energy: -9.531
bonds (distance) P-C4' energy: -10.383
flat angles C4'-P-C4' energy: -7.175
flat angles P-C4'-P energy: -6.500
tors. eta vs tors. theta energy: -7.352
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: 5
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -127.221362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.221362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.221362 (E_RNA)
where:
Base-Base interactions energy: -84.352
where: short stacking energy: -43.001
Base-Backbone interact. energy: -0.412
local terms energy: -42.456860
where:
bonds (distance) C4'-P energy: -8.021
bonds (distance) P-C4' energy: -8.343
flat angles C4'-P-C4' energy: -9.020
flat angles P-C4'-P energy: -6.868
tors. eta vs tors. theta energy: -10.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -78.153288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.153288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.153288 (E_RNA)
where:
Base-Base interactions energy: -38.957
where: short stacking energy: -38.957
Base-Backbone interact. energy: -0.001
local terms energy: -39.195612
where:
bonds (distance) C4'-P energy: -8.578
bonds (distance) P-C4' energy: -2.936
flat angles C4'-P-C4' energy: -7.985
flat angles P-C4'-P energy: -7.957
tors. eta vs tors. theta energy: -11.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -61.966742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.966742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.966742 (E_RNA)
where:
Base-Base interactions energy: -26.732
where: short stacking energy: -26.732
Base-Backbone interact. energy: -0.012
local terms energy: -35.222375
where:
bonds (distance) C4'-P energy: -7.615
bonds (distance) P-C4' energy: -10.429
flat angles C4'-P-C4' energy: -5.988
flat angles P-C4'-P energy: -3.230
tors. eta vs tors. theta energy: -7.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -54.884238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.884238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.884238 (E_RNA)
where:
Base-Base interactions energy: -21.631
where: short stacking energy: -21.631
Base-Backbone interact. energy: -0.084
local terms energy: -33.169462
where:
bonds (distance) C4'-P energy: -6.505
bonds (distance) P-C4' energy: -8.474
flat angles C4'-P-C4' energy: -7.453
flat angles P-C4'-P energy: -6.116
tors. eta vs tors. theta energy: -4.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -143.005720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.005720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.005720 (E_RNA)
where:
Base-Base interactions energy: -97.781
where: short stacking energy: -46.001
Base-Backbone interact. energy: -0.541
local terms energy: -44.683423
where:
bonds (distance) C4'-P energy: -7.995
bonds (distance) P-C4' energy: -10.349
flat angles C4'-P-C4' energy: -9.049
flat angles P-C4'-P energy: -7.702
tors. eta vs tors. theta energy: -9.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -133.508008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.508008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.508008 (E_RNA)
where:
Base-Base interactions energy: -90.287
where: short stacking energy: -39.428
Base-Backbone interact. energy: -1.441
local terms energy: -41.780008
where:
bonds (distance) C4'-P energy: -6.145
bonds (distance) P-C4' energy: -10.898
flat angles C4'-P-C4' energy: -9.689
flat angles P-C4'-P energy: -6.894
tors. eta vs tors. theta energy: -8.153
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: 9
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -140.467400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.467400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.467400 (E_RNA)
where:
Base-Base interactions energy: -93.452
where: short stacking energy: -43.536
Base-Backbone interact. energy: -1.512
local terms energy: -45.503190
where:
bonds (distance) C4'-P energy: -10.153
bonds (distance) P-C4' energy: -10.873
flat angles C4'-P-C4' energy: -9.815
flat angles P-C4'-P energy: -6.539
tors. eta vs tors. theta energy: -8.123
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: 1
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -141.410081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.410081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.410081 (E_RNA)
where:
Base-Base interactions energy: -94.910
where: short stacking energy: -40.736
Base-Backbone interact. energy: -0.732
local terms energy: -45.768306
where:
bonds (distance) C4'-P energy: -10.008
bonds (distance) P-C4' energy: -9.824
flat angles C4'-P-C4' energy: -9.105
flat angles P-C4'-P energy: -6.233
tors. eta vs tors. theta energy: -10.599
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: 5, replica: 10
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -134.694976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.694976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.694976 (E_RNA)
where:
Base-Base interactions energy: -98.429
where: short stacking energy: -39.292
Base-Backbone interact. energy: -0.006
local terms energy: -36.259755
where:
bonds (distance) C4'-P energy: -7.991
bonds (distance) P-C4' energy: -8.563
flat angles C4'-P-C4' energy: -7.401
flat angles P-C4'-P energy: -2.494
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: 6, replica: 5
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -129.115729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.115729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.115729 (E_RNA)
where:
Base-Base interactions energy: -86.854
where: short stacking energy: -42.951
Base-Backbone interact. energy: -0.034
local terms energy: -42.227421
where:
bonds (distance) C4'-P energy: -8.980
bonds (distance) P-C4' energy: -7.768
flat angles C4'-P-C4' energy: -9.052
flat angles P-C4'-P energy: -7.392
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: 7, replica: 7
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -132.904529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.904529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.904529 (E_RNA)
where:
Base-Base interactions energy: -93.140
where: short stacking energy: -43.223
Base-Backbone interact. energy: -0.862
local terms energy: -38.902535
where:
bonds (distance) C4'-P energy: -6.683
bonds (distance) P-C4' energy: -8.678
flat angles C4'-P-C4' energy: -7.448
flat angles P-C4'-P energy: -7.144
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: 8, replica: 8
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -70.515868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.515868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.515868 (E_RNA)
where:
Base-Base interactions energy: -38.180
where: short stacking energy: -17.095
Base-Backbone interact. energy: -0.064
local terms energy: -32.272425
where:
bonds (distance) C4'-P energy: -8.392
bonds (distance) P-C4' energy: -9.467
flat angles C4'-P-C4' energy: -7.081
flat angles P-C4'-P energy: -4.924
tors. eta vs tors. theta energy: -2.408
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: 2
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -60.413184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.413184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.413184 (E_RNA)
where:
Base-Base interactions energy: -31.320
where: short stacking energy: -31.320
Base-Backbone interact. energy: -0.099
local terms energy: -28.993681
where:
bonds (distance) C4'-P energy: -4.981
bonds (distance) P-C4' energy: -4.494
flat angles C4'-P-C4' energy: -7.546
flat angles P-C4'-P energy: -5.875
tors. eta vs tors. theta energy: -6.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -56.268700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.268700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.268700 (E_RNA)
where:
Base-Base interactions energy: -31.068
where: short stacking energy: -25.927
Base-Backbone interact. energy: -0.420
local terms energy: -24.780326
where:
bonds (distance) C4'-P energy: -2.834
bonds (distance) P-C4' energy: -9.833
flat angles C4'-P-C4' energy: -5.309
flat angles P-C4'-P energy: -4.681
tors. eta vs tors. theta energy: -2.123
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: 3
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -140.527782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.527782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.527782 (E_RNA)
where:
Base-Base interactions energy: -93.038
where: short stacking energy: -41.189
Base-Backbone interact. energy: -1.026
local terms energy: -46.463451
where:
bonds (distance) C4'-P energy: -8.795
bonds (distance) P-C4' energy: -11.138
flat angles C4'-P-C4' energy: -8.525
flat angles P-C4'-P energy: -8.227
tors. eta vs tors. theta energy: -9.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -140.465298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.465298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.465298 (E_RNA)
where:
Base-Base interactions energy: -101.477
where: short stacking energy: -44.266
Base-Backbone interact. energy: -0.665
local terms energy: -38.323402
where:
bonds (distance) C4'-P energy: -7.959
bonds (distance) P-C4' energy: -7.420
flat angles C4'-P-C4' energy: -8.448
flat angles P-C4'-P energy: -4.450
tors. eta vs tors. theta energy: -10.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -140.072432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.072432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.072432 (E_RNA)
where:
Base-Base interactions energy: -92.731
where: short stacking energy: -41.268
Base-Backbone interact. energy: -0.913
local terms energy: -46.428899
where:
bonds (distance) C4'-P energy: -6.323
bonds (distance) P-C4' energy: -10.147
flat angles C4'-P-C4' energy: -10.337
flat angles P-C4'-P energy: -8.669
tors. eta vs tors. theta energy: -10.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -135.191471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.191471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.191471 (E_RNA)
where:
Base-Base interactions energy: -96.758
where: short stacking energy: -41.634
Base-Backbone interact. energy: 0.319
local terms energy: -38.752053
where:
bonds (distance) C4'-P energy: -6.402
bonds (distance) P-C4' energy: -8.379
flat angles C4'-P-C4' energy: -11.340
flat angles P-C4'-P energy: -1.987
tors. eta vs tors. theta energy: -10.644
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: 5
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -135.286634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.286634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.286634 (E_RNA)
where:
Base-Base interactions energy: -95.321
where: short stacking energy: -40.480
Base-Backbone interact. energy: -0.103
local terms energy: -39.862312
where:
bonds (distance) C4'-P energy: -8.392
bonds (distance) P-C4' energy: -9.637
flat angles C4'-P-C4' energy: -9.244
flat angles P-C4'-P energy: -4.904
tors. eta vs tors. theta energy: -7.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -126.641697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.641697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.641697 (E_RNA)
where:
Base-Base interactions energy: -95.776
where: short stacking energy: -46.929
Base-Backbone interact. energy: -0.333
local terms energy: -30.532767
where:
bonds (distance) C4'-P energy: -6.157
bonds (distance) P-C4' energy: -5.241
flat angles C4'-P-C4' energy: -6.860
flat angles P-C4'-P energy: -3.809
tors. eta vs tors. theta energy: -8.466
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: 7, replica: 7
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -124.535100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.535100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.535100 (E_RNA)
where:
Base-Base interactions energy: -87.289
where: short stacking energy: -38.241
Base-Backbone interact. energy: -1.835
local terms energy: -35.410350
where:
bonds (distance) C4'-P energy: -5.188
bonds (distance) P-C4' energy: -9.172
flat angles C4'-P-C4' energy: -10.265
flat angles P-C4'-P energy: -6.329
tors. eta vs tors. theta energy: -4.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -67.219837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.219837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.219837 (E_RNA)
where:
Base-Base interactions energy: -30.398
where: short stacking energy: -30.398
Base-Backbone interact. energy: -0.012
local terms energy: -36.810213
where:
bonds (distance) C4'-P energy: -4.762
bonds (distance) P-C4' energy: -9.960
flat angles C4'-P-C4' energy: -7.640
flat angles P-C4'-P energy: -6.700
tors. eta vs tors. theta energy: -7.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -63.931387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.931387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.931387 (E_RNA)
where:
Base-Base interactions energy: -36.290
where: short stacking energy: -21.225
Base-Backbone interact. energy: -0.018
local terms energy: -27.623157
where:
bonds (distance) C4'-P energy: -5.409
bonds (distance) P-C4' energy: -9.432
flat angles C4'-P-C4' energy: -5.953
flat angles P-C4'-P energy: -5.578
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: 54
Temperature: 1.350000
Total energy: -57.640857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.640857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.640857 (E_RNA)
where:
Base-Base interactions energy: -27.157
where: short stacking energy: -21.324
Base-Backbone interact. energy: -0.034
local terms energy: -30.449110
where:
bonds (distance) C4'-P energy: -9.192
bonds (distance) P-C4' energy: -9.245
flat angles C4'-P-C4' energy: -3.970
flat angles P-C4'-P energy: -6.555
tors. eta vs tors. theta energy: -1.487
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: 3
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -141.910554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.910554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.910554 (E_RNA)
where:
Base-Base interactions energy: -98.046
where: short stacking energy: -40.885
Base-Backbone interact. energy: -1.377
local terms energy: -42.487238
where:
bonds (distance) C4'-P energy: -9.440
bonds (distance) P-C4' energy: -7.572
flat angles C4'-P-C4' energy: -8.179
flat angles P-C4'-P energy: -8.308
tors. eta vs tors. theta energy: -8.988
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: 2, replica: 4
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -142.804964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.804964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.804964 (E_RNA)
where:
Base-Base interactions energy: -95.565
where: short stacking energy: -46.045
Base-Backbone interact. energy: -0.703
local terms energy: -46.537197
where:
bonds (distance) C4'-P energy: -10.632
bonds (distance) P-C4' energy: -7.942
flat angles C4'-P-C4' energy: -9.510
flat angles P-C4'-P energy: -7.831
tors. eta vs tors. theta energy: -10.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -140.658803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.658803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.658803 (E_RNA)
where:
Base-Base interactions energy: -92.962
where: short stacking energy: -45.700
Base-Backbone interact. energy: -0.874
local terms energy: -46.823249
where:
bonds (distance) C4'-P energy: -10.206
bonds (distance) P-C4' energy: -9.837
flat angles C4'-P-C4' energy: -8.101
flat angles P-C4'-P energy: -6.770
tors. eta vs tors. theta energy: -11.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -133.028498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.028498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.028498 (E_RNA)
where:
Base-Base interactions energy: -87.169
where: short stacking energy: -36.659
Base-Backbone interact. energy: -1.592
local terms energy: -44.266958
where:
bonds (distance) C4'-P energy: -9.903
bonds (distance) P-C4' energy: -10.574
flat angles C4'-P-C4' energy: -8.109
flat angles P-C4'-P energy: -7.744
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: 5, replica: 5
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -128.974719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.974719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.974719 (E_RNA)
where:
Base-Base interactions energy: -90.580
where: short stacking energy: -34.747
Base-Backbone interact. energy: -0.046
local terms energy: -38.348809
where:
bonds (distance) C4'-P energy: -8.137
bonds (distance) P-C4' energy: -11.364
flat angles C4'-P-C4' energy: -7.904
flat angles P-C4'-P energy: -4.847
tors. eta vs tors. theta energy: -6.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -130.918622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.918622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.918622 (E_RNA)
where:
Base-Base interactions energy: -90.372
where: short stacking energy: -43.434
Base-Backbone interact. energy: -0.016
local terms energy: -40.530916
where:
bonds (distance) C4'-P energy: -8.720
bonds (distance) P-C4' energy: -9.545
flat angles C4'-P-C4' energy: -8.839
flat angles P-C4'-P energy: -4.959
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: 10
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -134.338872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.338872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.338872 (E_RNA)
where:
Base-Base interactions energy: -93.491
where: short stacking energy: -45.185
Base-Backbone interact. energy: -0.022
local terms energy: -40.826128
where:
bonds (distance) C4'-P energy: -6.865
bonds (distance) P-C4' energy: -9.408
flat angles C4'-P-C4' energy: -10.796
flat angles P-C4'-P energy: -3.355
tors. eta vs tors. theta energy: -10.402
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: 55
Temperature: 1.250000
Total energy: -69.804426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.804426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.804426 (E_RNA)
where:
Base-Base interactions energy: -29.302
where: short stacking energy: -29.302
Base-Backbone interact. energy: -0.012
local terms energy: -40.489955
where:
bonds (distance) C4'-P energy: -8.136
bonds (distance) P-C4' energy: -9.389
flat angles C4'-P-C4' energy: -9.862
flat angles P-C4'-P energy: -8.130
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: 8
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -62.582181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.582181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.582181 (E_RNA)
where:
Base-Base interactions energy: -30.439
where: short stacking energy: -25.746
Base-Backbone interact. energy: -0.020
local terms energy: -32.122921
where:
bonds (distance) C4'-P energy: -8.472
bonds (distance) P-C4' energy: -8.530
flat angles C4'-P-C4' energy: -8.952
flat angles P-C4'-P energy: -1.800
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: 10, replica: 6
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -61.973971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.973971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.973971 (E_RNA)
where:
Base-Base interactions energy: -25.323
where: short stacking energy: -25.323
Base-Backbone interact. energy: -0.005
local terms energy: -36.646318
where:
bonds (distance) C4'-P energy: -8.489
bonds (distance) P-C4' energy: -8.273
flat angles C4'-P-C4' energy: -8.741
flat angles P-C4'-P energy: -6.951
tors. eta vs tors. theta energy: -4.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -136.409530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.409530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.409530 (E_RNA)
where:
Base-Base interactions energy: -94.170
where: short stacking energy: -35.686
Base-Backbone interact. energy: -1.872
local terms energy: -40.367360
where:
bonds (distance) C4'-P energy: -9.130
bonds (distance) P-C4' energy: -7.191
flat angles C4'-P-C4' energy: -8.377
flat angles P-C4'-P energy: -7.138
tors. eta vs tors. theta energy: -8.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -139.784838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.784838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.784838 (E_RNA)
where:
Base-Base interactions energy: -94.270
where: short stacking energy: -42.500
Base-Backbone interact. energy: -1.932
local terms energy: -43.582006
where:
bonds (distance) C4'-P energy: -7.914
bonds (distance) P-C4' energy: -9.696
flat angles C4'-P-C4' energy: -9.197
flat angles P-C4'-P energy: -6.633
tors. eta vs tors. theta energy: -10.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -132.533984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.533984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.533984 (E_RNA)
where:
Base-Base interactions energy: -90.201
where: short stacking energy: -35.442
Base-Backbone interact. energy: -0.773
local terms energy: -41.560404
where:
bonds (distance) C4'-P energy: -7.672
bonds (distance) P-C4' energy: -9.055
flat angles C4'-P-C4' energy: -7.537
flat angles P-C4'-P energy: -7.758
tors. eta vs tors. theta energy: -9.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -140.066959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.066959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.066959 (E_RNA)
where:
Base-Base interactions energy: -99.284
where: short stacking energy: -45.524
Base-Backbone interact. energy: -0.027
local terms energy: -40.756041
where:
bonds (distance) C4'-P energy: -9.644
bonds (distance) P-C4' energy: -9.147
flat angles C4'-P-C4' energy: -6.193
flat angles P-C4'-P energy: -5.431
tors. eta vs tors. theta energy: -10.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -138.199625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.199625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.199625 (E_RNA)
where:
Base-Base interactions energy: -96.917
where: short stacking energy: -44.689
Base-Backbone interact. energy: -0.013
local terms energy: -41.270202
where:
bonds (distance) C4'-P energy: -7.160
bonds (distance) P-C4' energy: -9.622
flat angles C4'-P-C4' energy: -8.333
flat angles P-C4'-P energy: -6.267
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: 5
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -124.592565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.592565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.592565 (E_RNA)
where:
Base-Base interactions energy: -85.953
where: short stacking energy: -36.432
Base-Backbone interact. energy: -0.102
local terms energy: -38.537518
where:
bonds (distance) C4'-P energy: -6.082
bonds (distance) P-C4' energy: -10.162
flat angles C4'-P-C4' energy: -8.732
flat angles P-C4'-P energy: -6.883
tors. eta vs tors. theta energy: -6.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -126.472824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.472824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.472824 (E_RNA)
where:
Base-Base interactions energy: -86.009
where: short stacking energy: -38.733
Base-Backbone interact. energy: -0.005
local terms energy: -40.458616
where:
bonds (distance) C4'-P energy: -8.485
bonds (distance) P-C4' energy: -8.815
flat angles C4'-P-C4' energy: -9.182
flat angles P-C4'-P energy: -6.322
tors. eta vs tors. theta energy: -7.655
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: 2
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -83.261611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.261611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.261611 (E_RNA)
where:
Base-Base interactions energy: -46.424
where: short stacking energy: -20.861
Base-Backbone interact. energy: -0.062
local terms energy: -36.776161
where:
bonds (distance) C4'-P energy: -9.725
bonds (distance) P-C4' energy: -6.566
flat angles C4'-P-C4' energy: -9.885
flat angles P-C4'-P energy: -7.069
tors. eta vs tors. theta energy: -3.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -66.734768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.734768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.734768 (E_RNA)
where:
Base-Base interactions energy: -37.460
where: short stacking energy: -31.591
Base-Backbone interact. energy: -0.151
local terms energy: -29.123593
where:
bonds (distance) C4'-P energy: -5.508
bonds (distance) P-C4' energy: -7.548
flat angles C4'-P-C4' energy: -9.425
flat angles P-C4'-P energy: -2.186
tors. eta vs tors. theta energy: -4.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -58.999066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.999066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.999066 (E_RNA)
where:
Base-Base interactions energy: -32.860
where: short stacking energy: -29.076
Base-Backbone interact. energy: -0.248
local terms energy: -25.890917
where:
bonds (distance) C4'-P energy: -6.264
bonds (distance) P-C4' energy: -9.997
flat angles C4'-P-C4' energy: -5.075
flat angles P-C4'-P energy: 2.777
tors. eta vs tors. theta energy: -7.332
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: 57
Temperature: 0.900000
Total energy: -141.765370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.765370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.765370 (E_RNA)
where:
Base-Base interactions energy: -98.133
where: short stacking energy: -44.715
Base-Backbone interact. energy: -1.387
local terms energy: -42.244644
where:
bonds (distance) C4'-P energy: -10.003
bonds (distance) P-C4' energy: -8.834
flat angles C4'-P-C4' energy: -9.013
flat angles P-C4'-P energy: -5.611
tors. eta vs tors. theta energy: -8.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -140.351373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.351373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.351373 (E_RNA)
where:
Base-Base interactions energy: -100.570
where: short stacking energy: -46.147
Base-Backbone interact. energy: -0.518
local terms energy: -39.263531
where:
bonds (distance) C4'-P energy: -7.929
bonds (distance) P-C4' energy: -7.471
flat angles C4'-P-C4' energy: -8.586
flat angles P-C4'-P energy: -6.687
tors. eta vs tors. theta energy: -8.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -137.067945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.067945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.067945 (E_RNA)
where:
Base-Base interactions energy: -92.514
where: short stacking energy: -41.688
Base-Backbone interact. energy: -0.839
local terms energy: -43.715670
where:
bonds (distance) C4'-P energy: -7.043
bonds (distance) P-C4' energy: -9.647
flat angles C4'-P-C4' energy: -10.239
flat angles P-C4'-P energy: -7.708
tors. eta vs tors. theta energy: -9.079
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: 4, replica: 7
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -135.489674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.489674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.489674 (E_RNA)
where:
Base-Base interactions energy: -94.813
where: short stacking energy: -43.257
Base-Backbone interact. energy: -0.308
local terms energy: -40.368560
where:
bonds (distance) C4'-P energy: -4.647
bonds (distance) P-C4' energy: -9.732
flat angles C4'-P-C4' energy: -10.148
flat angles P-C4'-P energy: -6.295
tors. eta vs tors. theta energy: -9.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -131.594638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.594638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.594638 (E_RNA)
where:
Base-Base interactions energy: -89.919
where: short stacking energy: -41.372
Base-Backbone interact. energy: -0.500
local terms energy: -41.175257
where:
bonds (distance) C4'-P energy: -7.097
bonds (distance) P-C4' energy: -9.414
flat angles C4'-P-C4' energy: -10.232
flat angles P-C4'-P energy: -5.914
tors. eta vs tors. theta energy: -8.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -133.655944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.655944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.655944 (E_RNA)
where:
Base-Base interactions energy: -88.295
where: short stacking energy: -41.675
Base-Backbone interact. energy: -0.028
local terms energy: -45.333047
where:
bonds (distance) C4'-P energy: -7.789
bonds (distance) P-C4' energy: -10.616
flat angles C4'-P-C4' energy: -10.618
flat angles P-C4'-P energy: -5.492
tors. eta vs tors. theta energy: -10.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -132.237254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.237254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.237254 (E_RNA)
where:
Base-Base interactions energy: -92.694
where: short stacking energy: -44.343
Base-Backbone interact. energy: -0.002
local terms energy: -39.541499
where:
bonds (distance) C4'-P energy: -5.933
bonds (distance) P-C4' energy: -5.923
flat angles C4'-P-C4' energy: -8.843
flat angles P-C4'-P energy: -7.649
tors. eta vs tors. theta energy: -11.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -62.641732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.641732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.641732 (E_RNA)
where:
Base-Base interactions energy: -30.743
where: short stacking energy: -26.816
Base-Backbone interact. energy: 1.509
local terms energy: -33.406871
where:
bonds (distance) C4'-P energy: -7.808
bonds (distance) P-C4' energy: -6.171
flat angles C4'-P-C4' energy: -8.600
flat angles P-C4'-P energy: -4.697
tors. eta vs tors. theta energy: -6.132
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: 57
Temperature: 1.300000
Total energy: -61.303888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.303888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.303888 (E_RNA)
where:
Base-Base interactions energy: -30.843
where: short stacking energy: -30.843
Base-Backbone interact. energy: -0.000
local terms energy: -30.460744
where:
bonds (distance) C4'-P energy: -7.888
bonds (distance) P-C4' energy: -9.348
flat angles C4'-P-C4' energy: -3.126
flat angles P-C4'-P energy: -5.780
tors. eta vs tors. theta energy: -4.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -81.871844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.871844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.871844 (E_RNA)
where:
Base-Base interactions energy: -58.650
where: short stacking energy: -27.524
Base-Backbone interact. energy: -0.060
local terms energy: -23.161178
where:
bonds (distance) C4'-P energy: -6.605
bonds (distance) P-C4' energy: -6.784
flat angles C4'-P-C4' energy: -7.263
flat angles P-C4'-P energy: -1.185
tors. eta vs tors. theta energy: -1.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -139.486758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.486758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.486758 (E_RNA)
where:
Base-Base interactions energy: -91.883
where: short stacking energy: -41.894
Base-Backbone interact. energy: -0.066
local terms energy: -47.537520
where:
bonds (distance) C4'-P energy: -10.284
bonds (distance) P-C4' energy: -10.190
flat angles C4'-P-C4' energy: -9.969
flat angles P-C4'-P energy: -7.653
tors. eta vs tors. theta energy: -9.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -142.160732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.160732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.160732 (E_RNA)
where:
Base-Base interactions energy: -95.017
where: short stacking energy: -44.526
Base-Backbone interact. energy: -1.121
local terms energy: -46.023326
where:
bonds (distance) C4'-P energy: -9.779
bonds (distance) P-C4' energy: -9.598
flat angles C4'-P-C4' energy: -9.017
flat angles P-C4'-P energy: -7.870
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: 3, replica: 1
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -138.013412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.013412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.013412 (E_RNA)
where:
Base-Base interactions energy: -95.179
where: short stacking energy: -44.369
Base-Backbone interact. energy: -0.076
local terms energy: -42.758060
where:
bonds (distance) C4'-P energy: -9.547
bonds (distance) P-C4' energy: -9.348
flat angles C4'-P-C4' energy: -9.830
flat angles P-C4'-P energy: -4.690
tors. eta vs tors. theta energy: -9.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -138.884592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.884592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.884592 (E_RNA)
where:
Base-Base interactions energy: -94.917
where: short stacking energy: -46.007
Base-Backbone interact. energy: -0.026
local terms energy: -43.941076
where:
bonds (distance) C4'-P energy: -9.005
bonds (distance) P-C4' energy: -8.844
flat angles C4'-P-C4' energy: -10.686
flat angles P-C4'-P energy: -5.709
tors. eta vs tors. theta energy: -9.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -133.986941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.986941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.986941 (E_RNA)
where:
Base-Base interactions energy: -93.353
where: short stacking energy: -41.778
Base-Backbone interact. energy: 1.268
local terms energy: -41.901236
where:
bonds (distance) C4'-P energy: -6.465
bonds (distance) P-C4' energy: -11.336
flat angles C4'-P-C4' energy: -9.795
flat angles P-C4'-P energy: -5.360
tors. eta vs tors. theta energy: -8.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -131.645432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.645432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.645432 (E_RNA)
where:
Base-Base interactions energy: -94.020
where: short stacking energy: -38.783
Base-Backbone interact. energy: -0.013
local terms energy: -37.612541
where:
bonds (distance) C4'-P energy: -9.903
bonds (distance) P-C4' energy: -6.026
flat angles C4'-P-C4' energy: -9.111
flat angles P-C4'-P energy: -3.213
tors. eta vs tors. theta energy: -9.359
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: 5
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -126.926992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.926992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.926992 (E_RNA)
where:
Base-Base interactions energy: -86.011
where: short stacking energy: -35.880
Base-Backbone interact. energy: -1.010
local terms energy: -39.905969
where:
bonds (distance) C4'-P energy: -7.329
bonds (distance) P-C4' energy: -6.893
flat angles C4'-P-C4' energy: -10.341
flat angles P-C4'-P energy: -7.819
tors. eta vs tors. theta energy: -7.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -64.370758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.370758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.370758 (E_RNA)
where:
Base-Base interactions energy: -31.015
where: short stacking energy: -31.015
Base-Backbone interact. energy: -0.008
local terms energy: -33.348048
where:
bonds (distance) C4'-P energy: -7.598
bonds (distance) P-C4' energy: -10.186
flat angles C4'-P-C4' energy: -8.362
flat angles P-C4'-P energy: -2.879
tors. eta vs tors. theta energy: -4.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -72.485146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.485146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.485146 (E_RNA)
where:
Base-Base interactions energy: -44.911
where: short stacking energy: -16.074
Base-Backbone interact. energy: -0.053
local terms energy: -27.520932
where:
bonds (distance) C4'-P energy: -7.950
bonds (distance) P-C4' energy: -8.439
flat angles C4'-P-C4' energy: -4.523
flat angles P-C4'-P energy: -7.605
tors. eta vs tors. theta energy: 0.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -70.046852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.046852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.046852 (E_RNA)
where:
Base-Base interactions energy: -32.971
where: short stacking energy: -32.971
Base-Backbone interact. energy: -0.047
local terms energy: -37.028177
where:
bonds (distance) C4'-P energy: -6.866
bonds (distance) P-C4' energy: -9.140
flat angles C4'-P-C4' energy: -9.452
flat angles P-C4'-P energy: -3.570
tors. eta vs tors. theta energy: -7.999
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: 4
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -136.359691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.359691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.359691 (E_RNA)
where:
Base-Base interactions energy: -92.076
where: short stacking energy: -40.120
Base-Backbone interact. energy: -0.632
local terms energy: -43.651454
where:
bonds (distance) C4'-P energy: -9.424
bonds (distance) P-C4' energy: -10.448
flat angles C4'-P-C4' energy: -8.608
flat angles P-C4'-P energy: -6.510
tors. eta vs tors. theta energy: -8.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -139.945409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.945409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.945409 (E_RNA)
where:
Base-Base interactions energy: -98.009
where: short stacking energy: -40.399
Base-Backbone interact. energy: -0.000
local terms energy: -41.936081
where:
bonds (distance) C4'-P energy: -9.361
bonds (distance) P-C4' energy: -7.870
flat angles C4'-P-C4' energy: -9.385
flat angles P-C4'-P energy: -3.790
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: 3, replica: 1
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -135.917954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.917954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.917954 (E_RNA)
where:
Base-Base interactions energy: -90.003
where: short stacking energy: -43.431
Base-Backbone interact. energy: -0.963
local terms energy: -44.952050
where:
bonds (distance) C4'-P energy: -8.567
bonds (distance) P-C4' energy: -8.650
flat angles C4'-P-C4' energy: -9.407
flat angles P-C4'-P energy: -8.417
tors. eta vs tors. theta energy: -9.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -135.525265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.525265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.525265 (E_RNA)
where:
Base-Base interactions energy: -92.768
where: short stacking energy: -44.943
Base-Backbone interact. energy: 0.239
local terms energy: -42.996187
where:
bonds (distance) C4'-P energy: -7.822
bonds (distance) P-C4' energy: -8.530
flat angles C4'-P-C4' energy: -9.518
flat angles P-C4'-P energy: -6.520
tors. eta vs tors. theta energy: -10.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -137.141804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.141804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.141804 (E_RNA)
where:
Base-Base interactions energy: -91.674
where: short stacking energy: -37.329
Base-Backbone interact. energy: -2.032
local terms energy: -43.435922
where:
bonds (distance) C4'-P energy: -9.255
bonds (distance) P-C4' energy: -10.376
flat angles C4'-P-C4' energy: -8.240
flat angles P-C4'-P energy: -5.878
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: 6, replica: 9
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -134.275610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.275610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.275610 (E_RNA)
where:
Base-Base interactions energy: -96.603
where: short stacking energy: -37.790
Base-Backbone interact. energy: -0.099
local terms energy: -37.574014
where:
bonds (distance) C4'-P energy: -6.493
bonds (distance) P-C4' energy: -10.594
flat angles C4'-P-C4' energy: -7.517
flat angles P-C4'-P energy: -6.951
tors. eta vs tors. theta energy: -6.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -127.414073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.414073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.414073 (E_RNA)
where:
Base-Base interactions energy: -91.761
where: short stacking energy: -35.149
Base-Backbone interact. energy: -0.159
local terms energy: -35.494884
where:
bonds (distance) C4'-P energy: -8.968
bonds (distance) P-C4' energy: -9.383
flat angles C4'-P-C4' energy: -7.110
flat angles P-C4'-P energy: -1.526
tors. eta vs tors. theta energy: -8.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -67.299420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.299420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.299420 (E_RNA)
where:
Base-Base interactions energy: -36.191
where: short stacking energy: -36.191
Base-Backbone interact. energy: -0.013
local terms energy: -31.095120
where:
bonds (distance) C4'-P energy: -6.810
bonds (distance) P-C4' energy: -6.156
flat angles C4'-P-C4' energy: -6.473
flat angles P-C4'-P energy: -3.078
tors. eta vs tors. theta energy: -8.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -57.914642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.914642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.914642 (E_RNA)
where:
Base-Base interactions energy: -27.296
where: short stacking energy: -11.723
Base-Backbone interact. energy: -0.273
local terms energy: -30.346004
where:
bonds (distance) C4'-P energy: -8.580
bonds (distance) P-C4' energy: -10.419
flat angles C4'-P-C4' energy: -6.831
flat angles P-C4'-P energy: -5.526
tors. eta vs tors. theta energy: 1.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -57.701481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.701481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.701481 (E_RNA)
where:
Base-Base interactions energy: -30.686
where: short stacking energy: -10.839
Base-Backbone interact. energy: -0.017
local terms energy: -26.998466
where:
bonds (distance) C4'-P energy: -8.501
bonds (distance) P-C4' energy: -7.458
flat angles C4'-P-C4' energy: -9.953
flat angles P-C4'-P energy: -2.382
tors. eta vs tors. theta energy: 1.295
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: 1, replica: 4
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -143.369026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.369026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.369026 (E_RNA)
where:
Base-Base interactions energy: -95.470
where: short stacking energy: -45.871
Base-Backbone interact. energy: -1.337
local terms energy: -46.562083
where:
bonds (distance) C4'-P energy: -9.449
bonds (distance) P-C4' energy: -9.721
flat angles C4'-P-C4' energy: -9.077
flat angles P-C4'-P energy: -7.587
tors. eta vs tors. theta energy: -10.728
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: 3
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -140.202766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.202766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.202766 (E_RNA)
where:
Base-Base interactions energy: -101.337
where: short stacking energy: -43.646
Base-Backbone interact. energy: -0.372
local terms energy: -38.493926
where:
bonds (distance) C4'-P energy: -8.674
bonds (distance) P-C4' energy: -10.208
flat angles C4'-P-C4' energy: -7.691
flat angles P-C4'-P energy: -2.293
tors. eta vs tors. theta energy: -9.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -137.814944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.814944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.814944 (E_RNA)
where:
Base-Base interactions energy: -96.107
where: short stacking energy: -44.897
Base-Backbone interact. energy: -0.780
local terms energy: -40.928244
where:
bonds (distance) C4'-P energy: -8.625
bonds (distance) P-C4' energy: -7.889
flat angles C4'-P-C4' energy: -8.430
flat angles P-C4'-P energy: -7.413
tors. eta vs tors. theta energy: -8.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -139.533262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.533262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.533262 (E_RNA)
where:
Base-Base interactions energy: -92.370
where: short stacking energy: -40.338
Base-Backbone interact. energy: -1.029
local terms energy: -46.134288
where:
bonds (distance) C4'-P energy: -9.709
bonds (distance) P-C4' energy: -10.870
flat angles C4'-P-C4' energy: -9.657
flat angles P-C4'-P energy: -6.676
tors. eta vs tors. theta energy: -9.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -125.259125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.259125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.259125 (E_RNA)
where:
Base-Base interactions energy: -89.055
where: short stacking energy: -38.078
Base-Backbone interact. energy: -0.014
local terms energy: -36.190724
where:
bonds (distance) C4'-P energy: -7.084
bonds (distance) P-C4' energy: -6.666
flat angles C4'-P-C4' energy: -9.142
flat angles P-C4'-P energy: -4.881
tors. eta vs tors. theta energy: -8.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -134.139728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.139728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.139728 (E_RNA)
where:
Base-Base interactions energy: -91.278
where: short stacking energy: -43.442
Base-Backbone interact. energy: -0.034
local terms energy: -42.827484
where:
bonds (distance) C4'-P energy: -8.439
bonds (distance) P-C4' energy: -9.990
flat angles C4'-P-C4' energy: -9.273
flat angles P-C4'-P energy: -6.284
tors. eta vs tors. theta energy: -8.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -70.103227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.103227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.103227 (E_RNA)
where:
Base-Base interactions energy: -38.416
where: short stacking energy: -19.277
Base-Backbone interact. energy: -1.054
local terms energy: -30.632716
where:
bonds (distance) C4'-P energy: -8.161
bonds (distance) P-C4' energy: -8.259
flat angles C4'-P-C4' energy: -3.921
flat angles P-C4'-P energy: -8.216
tors. eta vs tors. theta energy: -2.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -124.891968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.891968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.891968 (E_RNA)
where:
Base-Base interactions energy: -85.354
where: short stacking energy: -39.468
Base-Backbone interact. energy: -1.861
local terms energy: -37.676843
where:
bonds (distance) C4'-P energy: -7.806
bonds (distance) P-C4' energy: -7.196
flat angles C4'-P-C4' energy: -8.928
flat angles P-C4'-P energy: -5.116
tors. eta vs tors. theta energy: -8.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -63.733809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.733809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.733809 (E_RNA)
where:
Base-Base interactions energy: -36.572
where: short stacking energy: -27.412
Base-Backbone interact. energy: -0.113
local terms energy: -27.049035
where:
bonds (distance) C4'-P energy: -2.241
bonds (distance) P-C4' energy: -10.626
flat angles C4'-P-C4' energy: -8.621
flat angles P-C4'-P energy: -2.910
tors. eta vs tors. theta energy: -2.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -67.746847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.746847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.746847 (E_RNA)
where:
Base-Base interactions energy: -31.070
where: short stacking energy: -23.691
Base-Backbone interact. energy: -0.000
local terms energy: -36.676381
where:
bonds (distance) C4'-P energy: -6.675
bonds (distance) P-C4' energy: -9.864
flat angles C4'-P-C4' energy: -7.630
flat angles P-C4'-P energy: -6.017
tors. eta vs tors. theta energy: -6.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -142.666635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.666635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.666635 (E_RNA)
where:
Base-Base interactions energy: -98.345
where: short stacking energy: -46.125
Base-Backbone interact. energy: -0.124
local terms energy: -44.197873
where:
bonds (distance) C4'-P energy: -8.968
bonds (distance) P-C4' energy: -8.823
flat angles C4'-P-C4' energy: -9.607
flat angles P-C4'-P energy: -6.820
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: 2, replica: 1
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -139.391734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.391734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.391734 (E_RNA)
where:
Base-Base interactions energy: -94.460
where: short stacking energy: -43.319
Base-Backbone interact. energy: -1.440
local terms energy: -43.491843
where:
bonds (distance) C4'-P energy: -8.003
bonds (distance) P-C4' energy: -10.416
flat angles C4'-P-C4' energy: -9.372
flat angles P-C4'-P energy: -5.490
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: 3, replica: 3
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -130.486035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.486035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.486035 (E_RNA)
where:
Base-Base interactions energy: -91.417
where: short stacking energy: -38.987
Base-Backbone interact. energy: 0.106
local terms energy: -39.174710
where:
bonds (distance) C4'-P energy: -8.430
bonds (distance) P-C4' energy: -9.109
flat angles C4'-P-C4' energy: -9.340
flat angles P-C4'-P energy: -7.094
tors. eta vs tors. theta energy: -5.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -136.647999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.647999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.647999 (E_RNA)
where:
Base-Base interactions energy: -93.396
where: short stacking energy: -44.204
Base-Backbone interact. energy: 0.436
local terms energy: -43.687571
where:
bonds (distance) C4'-P energy: -6.546
bonds (distance) P-C4' energy: -9.598
flat angles C4'-P-C4' energy: -9.007
flat angles P-C4'-P energy: -8.196
tors. eta vs tors. theta energy: -10.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -131.598005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.598005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.598005 (E_RNA)
where:
Base-Base interactions energy: -89.649
where: short stacking energy: -39.955
Base-Backbone interact. energy: -0.092
local terms energy: -41.857039
where:
bonds (distance) C4'-P energy: -8.773
bonds (distance) P-C4' energy: -9.651
flat angles C4'-P-C4' energy: -9.093
flat angles P-C4'-P energy: -6.273
tors. eta vs tors. theta energy: -8.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -130.602422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.602422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.602422 (E_RNA)
where:
Base-Base interactions energy: -92.989
where: short stacking energy: -43.368
Base-Backbone interact. energy: -0.121
local terms energy: -37.492133
where:
bonds (distance) C4'-P energy: -6.777
bonds (distance) P-C4' energy: -10.004
flat angles C4'-P-C4' energy: -7.796
flat angles P-C4'-P energy: -5.849
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: 7, replica: 8
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -64.319631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.319631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.319631 (E_RNA)
where:
Base-Base interactions energy: -25.263
where: short stacking energy: -25.263
Base-Backbone interact. energy: -0.129
local terms energy: -38.928044
where:
bonds (distance) C4'-P energy: -9.283
bonds (distance) P-C4' energy: -10.845
flat angles C4'-P-C4' energy: -5.757
flat angles P-C4'-P energy: -5.525
tors. eta vs tors. theta energy: -7.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -121.466841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.466841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.466841 (E_RNA)
where:
Base-Base interactions energy: -84.387
where: short stacking energy: -39.263
Base-Backbone interact. energy: -0.737
local terms energy: -36.343323
where:
bonds (distance) C4'-P energy: -7.682
bonds (distance) P-C4' energy: -5.608
flat angles C4'-P-C4' energy: -8.884
flat angles P-C4'-P energy: -6.961
tors. eta vs tors. theta energy: -7.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -61.696757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.696757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.696757 (E_RNA)
where:
Base-Base interactions energy: -30.595
where: short stacking energy: -24.713
Base-Backbone interact. energy: -0.085
local terms energy: -31.016177
where:
bonds (distance) C4'-P energy: -7.672
bonds (distance) P-C4' energy: -10.677
flat angles C4'-P-C4' energy: -8.559
flat angles P-C4'-P energy: -3.955
tors. eta vs tors. theta energy: -0.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -57.365020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.365020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.365020 (E_RNA)
where:
Base-Base interactions energy: -28.920
where: short stacking energy: -28.920
Base-Backbone interact. energy: -0.049
local terms energy: -28.396712
where:
bonds (distance) C4'-P energy: -6.974
bonds (distance) P-C4' energy: -6.445
flat angles C4'-P-C4' energy: -7.506
flat angles P-C4'-P energy: 0.383
tors. eta vs tors. theta energy: -7.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -139.713652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.713652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.713652 (E_RNA)
where:
Base-Base interactions energy: -94.174
where: short stacking energy: -43.988
Base-Backbone interact. energy: -0.734
local terms energy: -44.805595
where:
bonds (distance) C4'-P energy: -9.192
bonds (distance) P-C4' energy: -8.939
flat angles C4'-P-C4' energy: -9.844
flat angles P-C4'-P energy: -6.907
tors. eta vs tors. theta energy: -9.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -143.599412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.599412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.599412 (E_RNA)
where:
Base-Base interactions energy: -95.709
where: short stacking energy: -43.527
Base-Backbone interact. energy: 0.274
local terms energy: -48.164485
where:
bonds (distance) C4'-P energy: -9.759
bonds (distance) P-C4' energy: -8.823
flat angles C4'-P-C4' energy: -10.391
flat angles P-C4'-P energy: -7.882
tors. eta vs tors. theta energy: -11.310
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: 9
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -136.546438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.546438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.546438 (E_RNA)
where:
Base-Base interactions energy: -94.074
where: short stacking energy: -43.207
Base-Backbone interact. energy: -0.862
local terms energy: -41.611279
where:
bonds (distance) C4'-P energy: -9.158
bonds (distance) P-C4' energy: -10.211
flat angles C4'-P-C4' energy: -8.899
flat angles P-C4'-P energy: -7.134
tors. eta vs tors. theta energy: -6.208
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: 62
Temperature: 1.050000
Total energy: -132.381602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.381602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.381602 (E_RNA)
where:
Base-Base interactions energy: -85.907
where: short stacking energy: -38.077
Base-Backbone interact. energy: -0.416
local terms energy: -46.058978
where:
bonds (distance) C4'-P energy: -10.632
bonds (distance) P-C4' energy: -10.659
flat angles C4'-P-C4' energy: -9.100
flat angles P-C4'-P energy: -6.735
tors. eta vs tors. theta energy: -8.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -135.861122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.861122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.861122 (E_RNA)
where:
Base-Base interactions energy: -93.713
where: short stacking energy: -45.616
Base-Backbone interact. energy: -2.279
local terms energy: -39.869033
where:
bonds (distance) C4'-P energy: -6.179
bonds (distance) P-C4' energy: -9.162
flat angles C4'-P-C4' energy: -9.662
flat angles P-C4'-P energy: -6.630
tors. eta vs tors. theta energy: -8.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -132.249947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.249947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.249947 (E_RNA)
where:
Base-Base interactions energy: -98.512
where: short stacking energy: -44.608
Base-Backbone interact. energy: -0.821
local terms energy: -32.917338
where:
bonds (distance) C4'-P energy: -6.448
bonds (distance) P-C4' energy: -7.519
flat angles C4'-P-C4' energy: -10.015
flat angles P-C4'-P energy: -2.672
tors. eta vs tors. theta energy: -6.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -122.993696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.993696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.993696 (E_RNA)
where:
Base-Base interactions energy: -83.230
where: short stacking energy: -30.852
Base-Backbone interact. energy: -0.521
local terms energy: -39.243188
where:
bonds (distance) C4'-P energy: -9.593
bonds (distance) P-C4' energy: -8.036
flat angles C4'-P-C4' energy: -10.565
flat angles P-C4'-P energy: -6.237
tors. eta vs tors. theta energy: -4.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -69.858704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.858704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.858704 (E_RNA)
where:
Base-Base interactions energy: -33.725
where: short stacking energy: -33.725
Base-Backbone interact. energy: -0.004
local terms energy: -36.130201
where:
bonds (distance) C4'-P energy: -5.469
bonds (distance) P-C4' energy: -10.437
flat angles C4'-P-C4' energy: -8.241
flat angles P-C4'-P energy: -4.091
tors. eta vs tors. theta energy: -7.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -57.052168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.052168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.052168 (E_RNA)
where:
Base-Base interactions energy: -22.110
where: short stacking energy: -22.110
Base-Backbone interact. energy: -0.001
local terms energy: -34.940906
where:
bonds (distance) C4'-P energy: -10.053
bonds (distance) P-C4' energy: -9.116
flat angles C4'-P-C4' energy: -9.279
flat angles P-C4'-P energy: -6.249
tors. eta vs tors. theta energy: -0.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -53.832790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.832790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.832790 (E_RNA)
where:
Base-Base interactions energy: -24.447
where: short stacking energy: -23.737
Base-Backbone interact. energy: -0.293
local terms energy: -29.092557
where:
bonds (distance) C4'-P energy: -4.282
bonds (distance) P-C4' energy: -10.147
flat angles C4'-P-C4' energy: -4.497
flat angles P-C4'-P energy: -7.766
tors. eta vs tors. theta energy: -2.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -143.003981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.003981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.003981 (E_RNA)
where:
Base-Base interactions energy: -95.426
where: short stacking energy: -43.435
Base-Backbone interact. energy: -1.264
local terms energy: -46.313706
where:
bonds (distance) C4'-P energy: -9.147
bonds (distance) P-C4' energy: -8.429
flat angles C4'-P-C4' energy: -8.902
flat angles P-C4'-P energy: -8.013
tors. eta vs tors. theta energy: -11.823
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: 9
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -142.630292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.630292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.630292 (E_RNA)
where:
Base-Base interactions energy: -93.535
where: short stacking energy: -44.993
Base-Backbone interact. energy: -1.111
local terms energy: -47.984433
where:
bonds (distance) C4'-P energy: -9.167
bonds (distance) P-C4' energy: -9.312
flat angles C4'-P-C4' energy: -10.495
flat angles P-C4'-P energy: -8.905
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: 3, replica: 4
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -129.667378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.667378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.667378 (E_RNA)
where:
Base-Base interactions energy: -88.279
where: short stacking energy: -38.157
Base-Backbone interact. energy: -0.008
local terms energy: -41.380268
where:
bonds (distance) C4'-P energy: -9.929
bonds (distance) P-C4' energy: -9.696
flat angles C4'-P-C4' energy: -5.785
flat angles P-C4'-P energy: -8.217
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: 4, replica: 3
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -134.639993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.639993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.639993 (E_RNA)
where:
Base-Base interactions energy: -92.182
where: short stacking energy: -43.801
Base-Backbone interact. energy: -0.529
local terms energy: -41.929047
where:
bonds (distance) C4'-P energy: -8.454
bonds (distance) P-C4' energy: -9.438
flat angles C4'-P-C4' energy: -8.867
flat angles P-C4'-P energy: -7.172
tors. eta vs tors. theta energy: -7.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -119.579654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.579654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.579654 (E_RNA)
where:
Base-Base interactions energy: -84.292
where: short stacking energy: -33.130
Base-Backbone interact. energy: 0.078
local terms energy: -35.365613
where:
bonds (distance) C4'-P energy: -6.166
bonds (distance) P-C4' energy: -8.818
flat angles C4'-P-C4' energy: -9.143
flat angles P-C4'-P energy: -5.243
tors. eta vs tors. theta energy: -5.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -132.782482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.782482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.782482 (E_RNA)
where:
Base-Base interactions energy: -87.659
where: short stacking energy: -41.833
Base-Backbone interact. energy: -0.028
local terms energy: -45.094829
where:
bonds (distance) C4'-P energy: -8.447
bonds (distance) P-C4' energy: -10.116
flat angles C4'-P-C4' energy: -9.375
flat angles P-C4'-P energy: -7.873
tors. eta vs tors. theta energy: -9.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -126.003425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.003425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.003425 (E_RNA)
where:
Base-Base interactions energy: -92.142
where: short stacking energy: -34.441
Base-Backbone interact. energy: -0.352
local terms energy: -33.509284
where:
bonds (distance) C4'-P energy: -7.834
bonds (distance) P-C4' energy: -9.757
flat angles C4'-P-C4' energy: -4.585
flat angles P-C4'-P energy: -1.024
tors. eta vs tors. theta energy: -10.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -68.179755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.179755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.179755 (E_RNA)
where:
Base-Base interactions energy: -33.815
where: short stacking energy: -29.354
Base-Backbone interact. energy: -0.003
local terms energy: -34.361335
where:
bonds (distance) C4'-P energy: -8.501
bonds (distance) P-C4' energy: -7.319
flat angles C4'-P-C4' energy: -7.500
flat angles P-C4'-P energy: -7.074
tors. eta vs tors. theta energy: -3.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -59.426082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.426082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.426082 (E_RNA)
where:
Base-Base interactions energy: -22.687
where: short stacking energy: -22.687
Base-Backbone interact. energy: -0.002
local terms energy: -36.737427
where:
bonds (distance) C4'-P energy: -7.424
bonds (distance) P-C4' energy: -9.729
flat angles C4'-P-C4' energy: -7.816
flat angles P-C4'-P energy: -7.402
tors. eta vs tors. theta energy: -4.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -67.373865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.373865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.373865 (E_RNA)
where:
Base-Base interactions energy: -36.543
where: short stacking energy: -24.902
Base-Backbone interact. energy: -0.000
local terms energy: -30.830646
where:
bonds (distance) C4'-P energy: -6.472
bonds (distance) P-C4' energy: -7.420
flat angles C4'-P-C4' energy: -8.631
flat angles P-C4'-P energy: -4.903
tors. eta vs tors. theta energy: -3.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -140.389310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.389310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.389310 (E_RNA)
where:
Base-Base interactions energy: -94.413
where: short stacking energy: -45.647
Base-Backbone interact. energy: -0.116
local terms energy: -45.859611
where:
bonds (distance) C4'-P energy: -10.268
bonds (distance) P-C4' energy: -10.404
flat angles C4'-P-C4' energy: -9.791
flat angles P-C4'-P energy: -6.777
tors. eta vs tors. theta energy: -8.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -138.934594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.934594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.934594 (E_RNA)
where:
Base-Base interactions energy: -98.699
where: short stacking energy: -46.142
Base-Backbone interact. energy: -1.237
local terms energy: -38.998735
where:
bonds (distance) C4'-P energy: -6.923
bonds (distance) P-C4' energy: -5.720
flat angles C4'-P-C4' energy: -7.852
flat angles P-C4'-P energy: -8.033
tors. eta vs tors. theta energy: -10.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -132.865922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.865922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.865922 (E_RNA)
where:
Base-Base interactions energy: -89.402
where: short stacking energy: -44.168
Base-Backbone interact. energy: 0.945
local terms energy: -44.408527
where:
bonds (distance) C4'-P energy: -8.704
bonds (distance) P-C4' energy: -11.131
flat angles C4'-P-C4' energy: -9.465
flat angles P-C4'-P energy: -7.009
tors. eta vs tors. theta energy: -8.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -138.551685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.551685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.551685 (E_RNA)
where:
Base-Base interactions energy: -93.046
where: short stacking energy: -43.752
Base-Backbone interact. energy: -0.734
local terms energy: -44.771591
where:
bonds (distance) C4'-P energy: -8.968
bonds (distance) P-C4' energy: -10.441
flat angles C4'-P-C4' energy: -6.639
flat angles P-C4'-P energy: -7.287
tors. eta vs tors. theta energy: -11.437
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: 5
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -139.368022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.368022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.368022 (E_RNA)
where:
Base-Base interactions energy: -100.362
where: short stacking energy: -43.709
Base-Backbone interact. energy: -0.029
local terms energy: -38.977288
where:
bonds (distance) C4'-P energy: -5.806
bonds (distance) P-C4' energy: -8.221
flat angles C4'-P-C4' energy: -9.913
flat angles P-C4'-P energy: -6.689
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: 6, replica: 7
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -125.414025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.414025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.414025 (E_RNA)
where:
Base-Base interactions energy: -87.317
where: short stacking energy: -39.095
Base-Backbone interact. energy: -1.016
local terms energy: -37.081461
where:
bonds (distance) C4'-P energy: -8.223
bonds (distance) P-C4' energy: -8.241
flat angles C4'-P-C4' energy: -8.365
flat angles P-C4'-P energy: -6.453
tors. eta vs tors. theta energy: -5.799
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: 10
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -133.746422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.746422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.746422 (E_RNA)
where:
Base-Base interactions energy: -90.223
where: short stacking energy: -40.128
Base-Backbone interact. energy: -1.171
local terms energy: -42.351988
where:
bonds (distance) C4'-P energy: -9.088
bonds (distance) P-C4' energy: -9.414
flat angles C4'-P-C4' energy: -7.235
flat angles P-C4'-P energy: -6.909
tors. eta vs tors. theta energy: -9.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -62.088178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.088178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.088178 (E_RNA)
where:
Base-Base interactions energy: -26.749
where: short stacking energy: -26.749
Base-Backbone interact. energy: -0.006
local terms energy: -35.332975
where:
bonds (distance) C4'-P energy: -6.981
bonds (distance) P-C4' energy: -8.784
flat angles C4'-P-C4' energy: -8.563
flat angles P-C4'-P energy: -7.366
tors. eta vs tors. theta energy: -3.640
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: 2
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -61.534486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.534486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.534486 (E_RNA)
where:
Base-Base interactions energy: -37.059
where: short stacking energy: -20.131
Base-Backbone interact. energy: 0.702
local terms energy: -25.176967
where:
bonds (distance) C4'-P energy: -7.878
bonds (distance) P-C4' energy: -9.972
flat angles C4'-P-C4' energy: -3.348
flat angles P-C4'-P energy: -3.172
tors. eta vs tors. theta energy: -0.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -71.290059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.290059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.290059 (E_RNA)
where:
Base-Base interactions energy: -37.345
where: short stacking energy: -26.165
Base-Backbone interact. energy: -0.093
local terms energy: -33.851367
where:
bonds (distance) C4'-P energy: -7.060
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -7.838
flat angles P-C4'-P energy: -5.463
tors. eta vs tors. theta energy: -8.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -140.771198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.771198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.771198 (E_RNA)
where:
Base-Base interactions energy: -96.873
where: short stacking energy: -46.744
Base-Backbone interact. energy: -0.395
local terms energy: -43.503860
where:
bonds (distance) C4'-P energy: -8.456
bonds (distance) P-C4' energy: -10.190
flat angles C4'-P-C4' energy: -8.881
flat angles P-C4'-P energy: -8.582
tors. eta vs tors. theta energy: -7.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -139.083383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.083383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.083383 (E_RNA)
where:
Base-Base interactions energy: -98.078
where: short stacking energy: -41.521
Base-Backbone interact. energy: -0.000
local terms energy: -41.005549
where:
bonds (distance) C4'-P energy: -7.905
bonds (distance) P-C4' energy: -9.978
flat angles C4'-P-C4' energy: -8.763
flat angles P-C4'-P energy: -6.916
tors. eta vs tors. theta energy: -7.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -131.192510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.192510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.192510 (E_RNA)
where:
Base-Base interactions energy: -91.364
where: short stacking energy: -39.564
Base-Backbone interact. energy: -0.043
local terms energy: -39.784958
where:
bonds (distance) C4'-P energy: -5.843
bonds (distance) P-C4' energy: -9.500
flat angles C4'-P-C4' energy: -9.040
flat angles P-C4'-P energy: -7.103
tors. eta vs tors. theta energy: -8.299
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: 65
Temperature: 1.050000
Total energy: -136.718811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.718811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.718811 (E_RNA)
where:
Base-Base interactions energy: -94.150
where: short stacking energy: -43.224
Base-Backbone interact. energy: -1.428
local terms energy: -41.141417
where:
bonds (distance) C4'-P energy: -8.811
bonds (distance) P-C4' energy: -10.215
flat angles C4'-P-C4' energy: -8.071
flat angles P-C4'-P energy: -7.429
tors. eta vs tors. theta energy: -6.615
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: 5
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -133.736027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.736027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.736027 (E_RNA)
where:
Base-Base interactions energy: -96.662
where: short stacking energy: -45.644
Base-Backbone interact. energy: -0.518
local terms energy: -36.556384
where:
bonds (distance) C4'-P energy: 0.798
bonds (distance) P-C4' energy: -10.208
flat angles C4'-P-C4' energy: -10.884
flat angles P-C4'-P energy: -7.946
tors. eta vs tors. theta energy: -8.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -128.183966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.183966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.183966 (E_RNA)
where:
Base-Base interactions energy: -87.413
where: short stacking energy: -38.479
Base-Backbone interact. energy: -0.114
local terms energy: -40.656117
where:
bonds (distance) C4'-P energy: -10.231
bonds (distance) P-C4' energy: -9.895
flat angles C4'-P-C4' energy: -7.506
flat angles P-C4'-P energy: -5.156
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: 7, replica: 7
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -130.864482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.864482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.864482 (E_RNA)
where:
Base-Base interactions energy: -91.223
where: short stacking energy: -39.652
Base-Backbone interact. energy: -1.419
local terms energy: -38.222875
where:
bonds (distance) C4'-P energy: -4.156
bonds (distance) P-C4' energy: -6.100
flat angles C4'-P-C4' energy: -9.937
flat angles P-C4'-P energy: -7.762
tors. eta vs tors. theta energy: -10.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -67.374284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.374284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.374284 (E_RNA)
where:
Base-Base interactions energy: -33.299
where: short stacking energy: -33.299
Base-Backbone interact. energy: -0.003
local terms energy: -34.072522
where:
bonds (distance) C4'-P energy: -8.500
bonds (distance) P-C4' energy: -7.611
flat angles C4'-P-C4' energy: -7.067
flat angles P-C4'-P energy: -4.783
tors. eta vs tors. theta energy: -6.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -53.523522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.523522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.523522 (E_RNA)
where:
Base-Base interactions energy: -26.193
where: short stacking energy: -13.865
Base-Backbone interact. energy: -0.051
local terms energy: -27.279308
where:
bonds (distance) C4'-P energy: -8.214
bonds (distance) P-C4' energy: -9.969
flat angles C4'-P-C4' energy: -6.586
flat angles P-C4'-P energy: -3.480
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: 10, replica: 6
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -60.625799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.625799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.625799 (E_RNA)
where:
Base-Base interactions energy: -28.011
where: short stacking energy: -18.807
Base-Backbone interact. energy: 1.173
local terms energy: -33.788178
where:
bonds (distance) C4'-P energy: -8.446
bonds (distance) P-C4' energy: -7.573
flat angles C4'-P-C4' energy: -8.715
flat angles P-C4'-P energy: -6.864
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: 1, replica: 1
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -143.482563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.482563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.482563 (E_RNA)
where:
Base-Base interactions energy: -95.914
where: short stacking energy: -45.395
Base-Backbone interact. energy: -1.903
local terms energy: -45.665777
where:
bonds (distance) C4'-P energy: -10.640
bonds (distance) P-C4' energy: -7.265
flat angles C4'-P-C4' energy: -10.593
flat angles P-C4'-P energy: -7.471
tors. eta vs tors. theta energy: -9.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -134.176728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.176728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.176728 (E_RNA)
where:
Base-Base interactions energy: -89.476
where: short stacking energy: -40.531
Base-Backbone interact. energy: -1.862
local terms energy: -42.838282
where:
bonds (distance) C4'-P energy: -9.156
bonds (distance) P-C4' energy: -10.870
flat angles C4'-P-C4' energy: -8.476
flat angles P-C4'-P energy: -7.451
tors. eta vs tors. theta energy: -6.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -136.008412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.008412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.008412 (E_RNA)
where:
Base-Base interactions energy: -97.954
where: short stacking energy: -41.654
Base-Backbone interact. energy: -0.004
local terms energy: -38.050595
where:
bonds (distance) C4'-P energy: -7.159
bonds (distance) P-C4' energy: -9.739
flat angles C4'-P-C4' energy: -8.355
flat angles P-C4'-P energy: -2.139
tors. eta vs tors. theta energy: -10.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -135.570602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.570602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.570602 (E_RNA)
where:
Base-Base interactions energy: -91.613
where: short stacking energy: -43.274
Base-Backbone interact. energy: -1.454
local terms energy: -42.503931
where:
bonds (distance) C4'-P energy: -8.860
bonds (distance) P-C4' energy: -8.361
flat angles C4'-P-C4' energy: -9.306
flat angles P-C4'-P energy: -6.167
tors. eta vs tors. theta energy: -9.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -134.162045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.162045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.162045 (E_RNA)
where:
Base-Base interactions energy: -90.206
where: short stacking energy: -41.855
Base-Backbone interact. energy: -0.000
local terms energy: -43.955906
where:
bonds (distance) C4'-P energy: -8.377
bonds (distance) P-C4' energy: -10.677
flat angles C4'-P-C4' energy: -8.227
flat angles P-C4'-P energy: -5.768
tors. eta vs tors. theta energy: -10.907
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: 10
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -136.844726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.844726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.844726 (E_RNA)
where:
Base-Base interactions energy: -98.460
where: short stacking energy: -40.406
Base-Backbone interact. energy: -0.004
local terms energy: -38.381019
where:
bonds (distance) C4'-P energy: -6.253
bonds (distance) P-C4' energy: -9.059
flat angles C4'-P-C4' energy: -10.377
flat angles P-C4'-P energy: -3.987
tors. eta vs tors. theta energy: -8.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -122.868181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.868181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.868181 (E_RNA)
where:
Base-Base interactions energy: -84.522
where: short stacking energy: -28.861
Base-Backbone interact. energy: -0.146
local terms energy: -38.200186
where:
bonds (distance) C4'-P energy: -9.229
bonds (distance) P-C4' energy: -7.913
flat angles C4'-P-C4' energy: -9.549
flat angles P-C4'-P energy: -4.768
tors. eta vs tors. theta energy: -6.740
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: 8
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -71.288695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.288695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.288695 (E_RNA)
where:
Base-Base interactions energy: -43.547
where: short stacking energy: -25.497
Base-Backbone interact. energy: -0.070
local terms energy: -27.672430
where:
bonds (distance) C4'-P energy: -7.142
bonds (distance) P-C4' energy: -7.502
flat angles C4'-P-C4' energy: -9.124
flat angles P-C4'-P energy: -1.724
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: 9, replica: 6
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -56.208998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.208998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.208998 (E_RNA)
where:
Base-Base interactions energy: -27.745
where: short stacking energy: -27.745
Base-Backbone interact. energy: -0.002
local terms energy: -28.461807
where:
bonds (distance) C4'-P energy: -8.136
bonds (distance) P-C4' energy: -4.406
flat angles C4'-P-C4' energy: -6.054
flat angles P-C4'-P energy: -4.817
tors. eta vs tors. theta energy: -5.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -58.014443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.014443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.014443 (E_RNA)
where:
Base-Base interactions energy: -29.223
where: short stacking energy: -19.792
Base-Backbone interact. energy: -0.093
local terms energy: -28.698443
where:
bonds (distance) C4'-P energy: -6.173
bonds (distance) P-C4' energy: -9.377
flat angles C4'-P-C4' energy: -7.166
flat angles P-C4'-P energy: -4.621
tors. eta vs tors. theta energy: -1.363
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: 1
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -143.129846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.129846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.129846 (E_RNA)
where:
Base-Base interactions energy: -97.553
where: short stacking energy: -43.508
Base-Backbone interact. energy: -0.591
local terms energy: -44.986348
where:
bonds (distance) C4'-P energy: -7.830
bonds (distance) P-C4' energy: -9.769
flat angles C4'-P-C4' energy: -10.938
flat angles P-C4'-P energy: -5.989
tors. eta vs tors. theta energy: -10.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -138.418824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.418824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.418824 (E_RNA)
where:
Base-Base interactions energy: -93.938
where: short stacking energy: -42.984
Base-Backbone interact. energy: -0.086
local terms energy: -44.395182
where:
bonds (distance) C4'-P energy: -9.068
bonds (distance) P-C4' energy: -10.180
flat angles C4'-P-C4' energy: -9.662
flat angles P-C4'-P energy: -6.827
tors. eta vs tors. theta energy: -8.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -138.961552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.961552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.961552 (E_RNA)
where:
Base-Base interactions energy: -92.572
where: short stacking energy: -43.249
Base-Backbone interact. energy: -1.922
local terms energy: -44.468233
where:
bonds (distance) C4'-P energy: -5.561
bonds (distance) P-C4' energy: -9.009
flat angles C4'-P-C4' energy: -9.609
flat angles P-C4'-P energy: -8.743
tors. eta vs tors. theta energy: -11.546
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: 4, replica: 5
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -138.641521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.641521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.641521 (E_RNA)
where:
Base-Base interactions energy: -94.209
where: short stacking energy: -44.057
Base-Backbone interact. energy: -0.819
local terms energy: -43.613421
where:
bonds (distance) C4'-P energy: -6.873
bonds (distance) P-C4' energy: -8.724
flat angles C4'-P-C4' energy: -9.948
flat angles P-C4'-P energy: -8.049
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: 5, replica: 4
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -125.540511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.540511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.540511 (E_RNA)
where:
Base-Base interactions energy: -87.665
where: short stacking energy: -34.886
Base-Backbone interact. energy: -0.278
local terms energy: -37.597764
where:
bonds (distance) C4'-P energy: -9.643
bonds (distance) P-C4' energy: -8.855
flat angles C4'-P-C4' energy: -9.487
flat angles P-C4'-P energy: -4.915
tors. eta vs tors. theta energy: -4.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -132.914618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.914618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.914618 (E_RNA)
where:
Base-Base interactions energy: -93.159
where: short stacking energy: -45.176
Base-Backbone interact. energy: -0.001
local terms energy: -39.754953
where:
bonds (distance) C4'-P energy: -8.180
bonds (distance) P-C4' energy: -8.920
flat angles C4'-P-C4' energy: -7.974
flat angles P-C4'-P energy: -3.781
tors. eta vs tors. theta energy: -10.901
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: 7, replica: 10
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -124.816780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.816780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.816780 (E_RNA)
where:
Base-Base interactions energy: -84.166
where: short stacking energy: -39.378
Base-Backbone interact. energy: -0.320
local terms energy: -40.330659
where:
bonds (distance) C4'-P energy: -8.095
bonds (distance) P-C4' energy: -10.293
flat angles C4'-P-C4' energy: -10.663
flat angles P-C4'-P energy: -2.607
tors. eta vs tors. theta energy: -8.672
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: 67
Temperature: 1.250000
Total energy: -62.464648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.464648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.464648 (E_RNA)
where:
Base-Base interactions energy: -29.313
where: short stacking energy: -29.313
Base-Backbone interact. energy: -0.019
local terms energy: -33.132623
where:
bonds (distance) C4'-P energy: -5.032
bonds (distance) P-C4' energy: -8.365
flat angles C4'-P-C4' energy: -10.133
flat angles P-C4'-P energy: -5.173
tors. eta vs tors. theta energy: -4.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -67.428781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.428781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.428781 (E_RNA)
where:
Base-Base interactions energy: -32.035
where: short stacking energy: -20.556
Base-Backbone interact. energy: -0.001
local terms energy: -35.393369
where:
bonds (distance) C4'-P energy: -5.524
bonds (distance) P-C4' energy: -9.052
flat angles C4'-P-C4' energy: -9.060
flat angles P-C4'-P energy: -5.724
tors. eta vs tors. theta energy: -6.033
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: 2
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -53.169184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.169184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.169184 (E_RNA)
where:
Base-Base interactions energy: -26.542
where: short stacking energy: -26.542
Base-Backbone interact. energy: -0.001
local terms energy: -26.626174
where:
bonds (distance) C4'-P energy: -7.033
bonds (distance) P-C4' energy: -6.403
flat angles C4'-P-C4' energy: -5.835
flat angles P-C4'-P energy: -8.298
tors. eta vs tors. theta energy: 0.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -140.444884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.444884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.444884 (E_RNA)
where:
Base-Base interactions energy: -90.915
where: short stacking energy: -44.101
Base-Backbone interact. energy: -0.001
local terms energy: -49.528521
where:
bonds (distance) C4'-P energy: -9.779
bonds (distance) P-C4' energy: -10.873
flat angles C4'-P-C4' energy: -9.852
flat angles P-C4'-P energy: -8.294
tors. eta vs tors. theta energy: -10.729
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: 1
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -144.330011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.330011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.330011 (E_RNA)
where:
Base-Base interactions energy: -99.432
where: short stacking energy: -47.326
Base-Backbone interact. energy: -0.142
local terms energy: -44.756065
where:
bonds (distance) C4'-P energy: -9.601
bonds (distance) P-C4' energy: -10.168
flat angles C4'-P-C4' energy: -7.161
flat angles P-C4'-P energy: -7.146
tors. eta vs tors. theta energy: -10.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -130.453654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.453654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.453654 (E_RNA)
where:
Base-Base interactions energy: -86.814
where: short stacking energy: -37.953
Base-Backbone interact. energy: -0.773
local terms energy: -42.866620
where:
bonds (distance) C4'-P energy: -9.813
bonds (distance) P-C4' energy: -9.855
flat angles C4'-P-C4' energy: -10.251
flat angles P-C4'-P energy: -5.459
tors. eta vs tors. theta energy: -7.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -133.770021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.770021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.770021 (E_RNA)
where:
Base-Base interactions energy: -98.327
where: short stacking energy: -42.085
Base-Backbone interact. energy: 0.213
local terms energy: -35.656386
where:
bonds (distance) C4'-P energy: -8.493
bonds (distance) P-C4' energy: -7.150
flat angles C4'-P-C4' energy: -7.363
flat angles P-C4'-P energy: -2.608
tors. eta vs tors. theta energy: -10.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -132.358731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.358731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.358731 (E_RNA)
where:
Base-Base interactions energy: -88.509
where: short stacking energy: -39.720
Base-Backbone interact. energy: -0.982
local terms energy: -42.868005
where:
bonds (distance) C4'-P energy: -8.405
bonds (distance) P-C4' energy: -10.039
flat angles C4'-P-C4' energy: -9.770
flat angles P-C4'-P energy: -8.295
tors. eta vs tors. theta energy: -6.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -126.027987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.027987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.027987 (E_RNA)
where:
Base-Base interactions energy: -92.997
where: short stacking energy: -41.749
Base-Backbone interact. energy: -0.001
local terms energy: -33.030144
where:
bonds (distance) C4'-P energy: -6.555
bonds (distance) P-C4' energy: -9.595
flat angles C4'-P-C4' energy: -3.882
flat angles P-C4'-P energy: -5.708
tors. eta vs tors. theta energy: -7.291
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: 10
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -126.633380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.633380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.633380 (E_RNA)
where:
Base-Base interactions energy: -85.404
where: short stacking energy: -33.559
Base-Backbone interact. energy: -1.752
local terms energy: -39.477252
where:
bonds (distance) C4'-P energy: -9.432
bonds (distance) P-C4' energy: -8.196
flat angles C4'-P-C4' energy: -8.310
flat angles P-C4'-P energy: -8.428
tors. eta vs tors. theta energy: -5.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -65.427315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.427315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.427315 (E_RNA)
where:
Base-Base interactions energy: -32.199
where: short stacking energy: -23.032
Base-Backbone interact. energy: -0.055
local terms energy: -33.172975
where:
bonds (distance) C4'-P energy: -9.039
bonds (distance) P-C4' energy: -10.416
flat angles C4'-P-C4' energy: -9.371
flat angles P-C4'-P energy: 0.438
tors. eta vs tors. theta energy: -4.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -71.265840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.265840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.265840 (E_RNA)
where:
Base-Base interactions energy: -37.607
where: short stacking energy: -27.494
Base-Backbone interact. energy: -0.008
local terms energy: -33.651350
where:
bonds (distance) C4'-P energy: -7.558
bonds (distance) P-C4' energy: -8.112
flat angles C4'-P-C4' energy: -6.379
flat angles P-C4'-P energy: -6.618
tors. eta vs tors. theta energy: -4.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -60.237708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.237708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.237708 (E_RNA)
where:
Base-Base interactions energy: -26.803
where: short stacking energy: -21.440
Base-Backbone interact. energy: -0.130
local terms energy: -33.305089
where:
bonds (distance) C4'-P energy: -7.237
bonds (distance) P-C4' energy: -9.295
flat angles C4'-P-C4' energy: -9.385
flat angles P-C4'-P energy: -5.619
tors. eta vs tors. theta energy: -1.768
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: 3
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -138.449263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.449263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.449263 (E_RNA)
where:
Base-Base interactions energy: -94.033
where: short stacking energy: -43.791
Base-Backbone interact. energy: -0.020
local terms energy: -44.396098
where:
bonds (distance) C4'-P energy: -9.403
bonds (distance) P-C4' energy: -11.357
flat angles C4'-P-C4' energy: -9.772
flat angles P-C4'-P energy: -5.672
tors. eta vs tors. theta energy: -8.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -140.998493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.998493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.998493 (E_RNA)
where:
Base-Base interactions energy: -98.135
where: short stacking energy: -45.704
Base-Backbone interact. energy: -0.966
local terms energy: -41.897243
where:
bonds (distance) C4'-P energy: -6.753
bonds (distance) P-C4' energy: -9.911
flat angles C4'-P-C4' energy: -9.355
flat angles P-C4'-P energy: -7.221
tors. eta vs tors. theta energy: -8.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -137.566022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.566022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.566022 (E_RNA)
where:
Base-Base interactions energy: -92.358
where: short stacking energy: -42.607
Base-Backbone interact. energy: -1.999
local terms energy: -43.209002
where:
bonds (distance) C4'-P energy: -8.728
bonds (distance) P-C4' energy: -10.849
flat angles C4'-P-C4' energy: -8.741
flat angles P-C4'-P energy: -6.191
tors. eta vs tors. theta energy: -8.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -138.279629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.279629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.279629 (E_RNA)
where:
Base-Base interactions energy: -103.695
where: short stacking energy: -37.668
Base-Backbone interact. energy: -0.007
local terms energy: -34.577587
where:
bonds (distance) C4'-P energy: -6.431
bonds (distance) P-C4' energy: -10.877
flat angles C4'-P-C4' energy: -7.464
flat angles P-C4'-P energy: -3.500
tors. eta vs tors. theta energy: -6.306
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: 9
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -125.985388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.985388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.985388 (E_RNA)
where:
Base-Base interactions energy: -97.777
where: short stacking energy: -31.807
Base-Backbone interact. energy: -0.086
local terms energy: -28.122894
where:
bonds (distance) C4'-P energy: -8.704
bonds (distance) P-C4' energy: -5.208
flat angles C4'-P-C4' energy: -6.782
flat angles P-C4'-P energy: 1.223
tors. eta vs tors. theta energy: -8.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -129.142487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.142487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.142487 (E_RNA)
where:
Base-Base interactions energy: -87.701
where: short stacking energy: -35.105
Base-Backbone interact. energy: -0.489
local terms energy: -40.952608
where:
bonds (distance) C4'-P energy: -7.987
bonds (distance) P-C4' energy: -9.699
flat angles C4'-P-C4' energy: -9.758
flat angles P-C4'-P energy: -5.159
tors. eta vs tors. theta energy: -8.349
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: 4
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -126.741831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.741831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.741831 (E_RNA)
where:
Base-Base interactions energy: -89.421
where: short stacking energy: -39.461
Base-Backbone interact. energy: -0.126
local terms energy: -37.194969
where:
bonds (distance) C4'-P energy: -8.616
bonds (distance) P-C4' energy: -6.432
flat angles C4'-P-C4' energy: -7.427
flat angles P-C4'-P energy: -5.575
tors. eta vs tors. theta energy: -9.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -70.037689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.037689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.037689 (E_RNA)
where:
Base-Base interactions energy: -38.665
where: short stacking energy: -25.024
Base-Backbone interact. energy: -0.043
local terms energy: -31.330408
where:
bonds (distance) C4'-P energy: -8.037
bonds (distance) P-C4' energy: -9.787
flat angles C4'-P-C4' energy: -8.504
flat angles P-C4'-P energy: -5.056
tors. eta vs tors. theta energy: 0.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -54.494121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.494121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.494121 (E_RNA)
where:
Base-Base interactions energy: -23.062
where: short stacking energy: -17.504
Base-Backbone interact. energy: -0.574
local terms energy: -30.858722
where:
bonds (distance) C4'-P energy: -5.834
bonds (distance) P-C4' energy: -10.880
flat angles C4'-P-C4' energy: -7.187
flat angles P-C4'-P energy: -7.553
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: 69
Temperature: 1.350000
Total energy: -89.088421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.088421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.088421 (E_RNA)
where:
Base-Base interactions energy: -60.650
where: short stacking energy: -23.987
Base-Backbone interact. energy: -0.003
local terms energy: -28.435326
where:
bonds (distance) C4'-P energy: -6.691
bonds (distance) P-C4' energy: -8.134
flat angles C4'-P-C4' energy: -4.749
flat angles P-C4'-P energy: -6.050
tors. eta vs tors. theta energy: -2.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -139.014682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.014682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.014682 (E_RNA)
where:
Base-Base interactions energy: -91.675
where: short stacking energy: -42.006
Base-Backbone interact. energy: -0.107
local terms energy: -47.233113
where:
bonds (distance) C4'-P energy: -9.921
bonds (distance) P-C4' energy: -11.593
flat angles C4'-P-C4' energy: -10.837
flat angles P-C4'-P energy: -4.973
tors. eta vs tors. theta energy: -9.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -137.837943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.837943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.837943 (E_RNA)
where:
Base-Base interactions energy: -92.816
where: short stacking energy: -41.963
Base-Backbone interact. energy: -1.048
local terms energy: -43.973902
where:
bonds (distance) C4'-P energy: -9.403
bonds (distance) P-C4' energy: -8.113
flat angles C4'-P-C4' energy: -9.741
flat angles P-C4'-P energy: -7.070
tors. eta vs tors. theta energy: -9.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -133.754845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.754845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.754845 (E_RNA)
where:
Base-Base interactions energy: -89.958
where: short stacking energy: -42.160
Base-Backbone interact. energy: 0.308
local terms energy: -44.105560
where:
bonds (distance) C4'-P energy: -9.705
bonds (distance) P-C4' energy: -8.070
flat angles C4'-P-C4' energy: -9.078
flat angles P-C4'-P energy: -8.178
tors. eta vs tors. theta energy: -9.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -137.910265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.910265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.910265 (E_RNA)
where:
Base-Base interactions energy: -96.515
where: short stacking energy: -44.272
Base-Backbone interact. energy: -0.007
local terms energy: -41.387652
where:
bonds (distance) C4'-P energy: -8.285
bonds (distance) P-C4' energy: -8.683
flat angles C4'-P-C4' energy: -9.643
flat angles P-C4'-P energy: -3.598
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: 5, replica: 9
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -132.727705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.727705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.727705 (E_RNA)
where:
Base-Base interactions energy: -97.030
where: short stacking energy: -34.449
Base-Backbone interact. energy: -0.207
local terms energy: -35.491141
where:
bonds (distance) C4'-P energy: -6.733
bonds (distance) P-C4' energy: -7.846
flat angles C4'-P-C4' energy: -8.700
flat angles P-C4'-P energy: -5.002
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: 6, replica: 10
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -123.500778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.500778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.500778 (E_RNA)
where:
Base-Base interactions energy: -81.832
where: short stacking energy: -35.319
Base-Backbone interact. energy: -0.167
local terms energy: -41.501573
where:
bonds (distance) C4'-P energy: -10.161
bonds (distance) P-C4' energy: -8.619
flat angles C4'-P-C4' energy: -8.350
flat angles P-C4'-P energy: -6.006
tors. eta vs tors. theta energy: -8.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -123.108422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.108422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.108422 (E_RNA)
where:
Base-Base interactions energy: -88.966
where: short stacking energy: -39.029
Base-Backbone interact. energy: 0.135
local terms energy: -34.277284
where:
bonds (distance) C4'-P energy: -3.682
bonds (distance) P-C4' energy: -9.538
flat angles C4'-P-C4' energy: -9.633
flat angles P-C4'-P energy: -3.080
tors. eta vs tors. theta energy: -8.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -68.449562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.449562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.449562 (E_RNA)
where:
Base-Base interactions energy: -35.293
where: short stacking energy: -26.122
Base-Backbone interact. energy: 2.624
local terms energy: -35.780648
where:
bonds (distance) C4'-P energy: -9.353
bonds (distance) P-C4' energy: -9.117
flat angles C4'-P-C4' energy: -8.674
flat angles P-C4'-P energy: -5.244
tors. eta vs tors. theta energy: -3.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -130.356398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.356398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.356398 (E_RNA)
where:
Base-Base interactions energy: -95.032
where: short stacking energy: -43.317
Base-Backbone interact. energy: -0.026
local terms energy: -35.298303
where:
bonds (distance) C4'-P energy: -9.121
bonds (distance) P-C4' energy: -8.851
flat angles C4'-P-C4' energy: -3.920
flat angles P-C4'-P energy: -4.597
tors. eta vs tors. theta energy: -8.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -53.883485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.883485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.883485 (E_RNA)
where:
Base-Base interactions energy: -24.587
where: short stacking energy: -16.791
Base-Backbone interact. energy: -0.130
local terms energy: -29.166441
where:
bonds (distance) C4'-P energy: -9.937
bonds (distance) P-C4' energy: -4.297
flat angles C4'-P-C4' energy: -9.233
flat angles P-C4'-P energy: -6.248
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: 1, replica: 5
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -137.358640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.358640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.358640 (E_RNA)
where:
Base-Base interactions energy: -93.662
where: short stacking energy: -46.086
Base-Backbone interact. energy: -0.056
local terms energy: -43.640740
where:
bonds (distance) C4'-P energy: -8.472
bonds (distance) P-C4' energy: -10.190
flat angles C4'-P-C4' energy: -8.172
flat angles P-C4'-P energy: -6.917
tors. eta vs tors. theta energy: -9.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -133.920476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.920476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.920476 (E_RNA)
where:
Base-Base interactions energy: -93.000
where: short stacking energy: -46.115
Base-Backbone interact. energy: -0.000
local terms energy: -40.920273
where:
bonds (distance) C4'-P energy: -6.965
bonds (distance) P-C4' energy: -7.864
flat angles C4'-P-C4' energy: -9.561
flat angles P-C4'-P energy: -6.972
tors. eta vs tors. theta energy: -9.557
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: 3
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -140.853894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.853894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.853894 (E_RNA)
where:
Base-Base interactions energy: -97.054
where: short stacking energy: -44.746
Base-Backbone interact. energy: -0.926
local terms energy: -42.873425
where:
bonds (distance) C4'-P energy: -9.113
bonds (distance) P-C4' energy: -10.870
flat angles C4'-P-C4' energy: -9.050
flat angles P-C4'-P energy: -4.560
tors. eta vs tors. theta energy: -9.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -134.433690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.433690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.433690 (E_RNA)
where:
Base-Base interactions energy: -88.749
where: short stacking energy: -41.049
Base-Backbone interact. energy: -0.644
local terms energy: -45.041047
where:
bonds (distance) C4'-P energy: -9.581
bonds (distance) P-C4' energy: -8.454
flat angles C4'-P-C4' energy: -9.408
flat angles P-C4'-P energy: -7.902
tors. eta vs tors. theta energy: -9.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -132.161977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.161977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.161977 (E_RNA)
where:
Base-Base interactions energy: -94.932
where: short stacking energy: -40.286
Base-Backbone interact. energy: -0.650
local terms energy: -36.580723
where:
bonds (distance) C4'-P energy: -8.049
bonds (distance) P-C4' energy: -6.921
flat angles C4'-P-C4' energy: -9.969
flat angles P-C4'-P energy: -2.030
tors. eta vs tors. theta energy: -9.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -135.500328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.500328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.500328 (E_RNA)
where:
Base-Base interactions energy: -93.770
where: short stacking energy: -43.409
Base-Backbone interact. energy: -1.255
local terms energy: -40.474726
where:
bonds (distance) C4'-P energy: -8.214
bonds (distance) P-C4' energy: -10.183
flat angles C4'-P-C4' energy: -8.869
flat angles P-C4'-P energy: -4.906
tors. eta vs tors. theta energy: -8.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -125.914749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.914749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.914749 (E_RNA)
where:
Base-Base interactions energy: -91.783
where: short stacking energy: -32.196
Base-Backbone interact. energy: 1.002
local terms energy: -35.134103
where:
bonds (distance) C4'-P energy: -8.972
bonds (distance) P-C4' energy: -10.609
flat angles C4'-P-C4' energy: -5.664
flat angles P-C4'-P energy: -2.325
tors. eta vs tors. theta energy: -7.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -65.296913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.296913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.296913 (E_RNA)
where:
Base-Base interactions energy: -27.367
where: short stacking energy: -23.244
Base-Backbone interact. energy: -0.107
local terms energy: -37.822757
where:
bonds (distance) C4'-P energy: -10.169
bonds (distance) P-C4' energy: -7.361
flat angles C4'-P-C4' energy: -9.082
flat angles P-C4'-P energy: -6.952
tors. eta vs tors. theta energy: -4.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -60.605453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.605453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.605453 (E_RNA)
where:
Base-Base interactions energy: -25.797
where: short stacking energy: -25.797
Base-Backbone interact. energy: -0.034
local terms energy: -34.773769
where:
bonds (distance) C4'-P energy: -5.229
bonds (distance) P-C4' energy: -10.143
flat angles C4'-P-C4' energy: -7.212
flat angles P-C4'-P energy: -7.783
tors. eta vs tors. theta energy: -4.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -113.521656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.521656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.521656 (E_RNA)
where:
Base-Base interactions energy: -84.090
where: short stacking energy: -39.317
Base-Backbone interact. energy: -0.187
local terms energy: -29.244446
where:
bonds (distance) C4'-P energy: -5.151
bonds (distance) P-C4' energy: -2.835
flat angles C4'-P-C4' energy: -7.133
flat angles P-C4'-P energy: -6.546
tors. eta vs tors. theta energy: -7.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -139.991877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.991877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.991877 (E_RNA)
where:
Base-Base interactions energy: -91.618
where: short stacking energy: -44.536
Base-Backbone interact. energy: -0.575
local terms energy: -47.799372
where:
bonds (distance) C4'-P energy: -10.524
bonds (distance) P-C4' energy: -9.270
flat angles C4'-P-C4' energy: -9.694
flat angles P-C4'-P energy: -7.692
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: 2, replica: 5
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -139.239723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.239723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.239723 (E_RNA)
where:
Base-Base interactions energy: -96.206
where: short stacking energy: -44.274
Base-Backbone interact. energy: -0.021
local terms energy: -43.012509
where:
bonds (distance) C4'-P energy: -7.345
bonds (distance) P-C4' energy: -10.612
flat angles C4'-P-C4' energy: -9.305
flat angles P-C4'-P energy: -5.148
tors. eta vs tors. theta energy: -10.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -140.653580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.653580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.653580 (E_RNA)
where:
Base-Base interactions energy: -95.967
where: short stacking energy: -43.322
Base-Backbone interact. energy: -0.712
local terms energy: -43.974477
where:
bonds (distance) C4'-P energy: -10.215
bonds (distance) P-C4' energy: -9.654
flat angles C4'-P-C4' energy: -5.559
flat angles P-C4'-P energy: -8.363
tors. eta vs tors. theta energy: -10.185
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: 3
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -132.079581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.079581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.079581 (E_RNA)
where:
Base-Base interactions energy: -89.161
where: short stacking energy: -40.241
Base-Backbone interact. energy: -0.274
local terms energy: -42.644044
where:
bonds (distance) C4'-P energy: -7.221
bonds (distance) P-C4' energy: -10.221
flat angles C4'-P-C4' energy: -9.864
flat angles P-C4'-P energy: -7.851
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: 5, replica: 4
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -131.072423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.072423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.072423 (E_RNA)
where:
Base-Base interactions energy: -87.783
where: short stacking energy: -37.878
Base-Backbone interact. energy: -0.110
local terms energy: -43.180002
where:
bonds (distance) C4'-P energy: -8.640
bonds (distance) P-C4' energy: -8.435
flat angles C4'-P-C4' energy: -10.267
flat angles P-C4'-P energy: -5.764
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: 6, replica: 9
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -132.811407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.811407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.811407 (E_RNA)
where:
Base-Base interactions energy: -92.731
where: short stacking energy: -40.912
Base-Backbone interact. energy: -1.609
local terms energy: -38.471367
where:
bonds (distance) C4'-P energy: -7.771
bonds (distance) P-C4' energy: -8.757
flat angles C4'-P-C4' energy: -8.104
flat angles P-C4'-P energy: -4.832
tors. eta vs tors. theta energy: -9.008
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: 8
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -80.593957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.593957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.593957 (E_RNA)
where:
Base-Base interactions energy: -42.716
where: short stacking energy: -30.100
Base-Backbone interact. energy: -0.012
local terms energy: -37.866030
where:
bonds (distance) C4'-P energy: -9.797
bonds (distance) P-C4' energy: -9.411
flat angles C4'-P-C4' energy: -8.470
flat angles P-C4'-P energy: -6.306
tors. eta vs tors. theta energy: -3.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -128.109098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.109098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.109098 (E_RNA)
where:
Base-Base interactions energy: -88.841
where: short stacking energy: -43.399
Base-Backbone interact. energy: -0.241
local terms energy: -39.026990
where:
bonds (distance) C4'-P energy: -4.622
bonds (distance) P-C4' energy: -9.925
flat angles C4'-P-C4' energy: -9.308
flat angles P-C4'-P energy: -4.794
tors. eta vs tors. theta energy: -10.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -122.470035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.470035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.470035 (E_RNA)
where:
Base-Base interactions energy: -86.566
where: short stacking energy: -38.780
Base-Backbone interact. energy: -0.151
local terms energy: -35.753791
where:
bonds (distance) C4'-P energy: -9.797
bonds (distance) P-C4' energy: -9.307
flat angles C4'-P-C4' energy: -4.533
flat angles P-C4'-P energy: -8.134
tors. eta vs tors. theta energy: -3.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -56.153442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.153442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.153442 (E_RNA)
where:
Base-Base interactions energy: -24.402
where: short stacking energy: -19.454
Base-Backbone interact. energy: -0.091
local terms energy: -31.660061
where:
bonds (distance) C4'-P energy: -8.835
bonds (distance) P-C4' energy: -8.392
flat angles C4'-P-C4' energy: -9.291
flat angles P-C4'-P energy: -5.221
tors. eta vs tors. theta energy: 0.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -137.370860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.370860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.370860 (E_RNA)
where:
Base-Base interactions energy: -93.647
where: short stacking energy: -46.535
Base-Backbone interact. energy: -0.001
local terms energy: -43.723021
where:
bonds (distance) C4'-P energy: -8.678
bonds (distance) P-C4' energy: -10.429
flat angles C4'-P-C4' energy: -10.969
flat angles P-C4'-P energy: -7.199
tors. eta vs tors. theta energy: -6.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -140.109288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.109288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.109288 (E_RNA)
where:
Base-Base interactions energy: -96.676
where: short stacking energy: -46.948
Base-Backbone interact. energy: -0.794
local terms energy: -42.638497
where:
bonds (distance) C4'-P energy: -8.625
bonds (distance) P-C4' energy: -7.721
flat angles C4'-P-C4' energy: -9.133
flat angles P-C4'-P energy: -6.279
tors. eta vs tors. theta energy: -10.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -137.357885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.357885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.357885 (E_RNA)
where:
Base-Base interactions energy: -95.506
where: short stacking energy: -44.591
Base-Backbone interact. energy: -0.545
local terms energy: -41.306860
where:
bonds (distance) C4'-P energy: -8.828
bonds (distance) P-C4' energy: -9.074
flat angles C4'-P-C4' energy: -8.075
flat angles P-C4'-P energy: -5.147
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: 4, replica: 4
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -133.084233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.084233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.084233 (E_RNA)
where:
Base-Base interactions energy: -90.759
where: short stacking energy: -44.420
Base-Backbone interact. energy: -0.004
local terms energy: -42.320840
where:
bonds (distance) C4'-P energy: -10.231
bonds (distance) P-C4' energy: -8.780
flat angles C4'-P-C4' energy: -8.632
flat angles P-C4'-P energy: -6.571
tors. eta vs tors. theta energy: -8.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -136.619470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.619470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.619470 (E_RNA)
where:
Base-Base interactions energy: -89.886
where: short stacking energy: -41.288
Base-Backbone interact. energy: -1.271
local terms energy: -45.463109
where:
bonds (distance) C4'-P energy: -9.601
bonds (distance) P-C4' energy: -7.579
flat angles C4'-P-C4' energy: -10.312
flat angles P-C4'-P energy: -7.610
tors. eta vs tors. theta energy: -10.361
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: 9
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -132.867212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.867212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.867212 (E_RNA)
where:
Base-Base interactions energy: -89.278
where: short stacking energy: -40.536
Base-Backbone interact. energy: -0.830
local terms energy: -42.758762
where:
bonds (distance) C4'-P energy: -9.424
bonds (distance) P-C4' energy: -10.616
flat angles C4'-P-C4' energy: -7.472
flat angles P-C4'-P energy: -4.281
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: 7, replica: 8
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -80.352264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.352264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.352264 (E_RNA)
where:
Base-Base interactions energy: -52.212
where: short stacking energy: -26.366
Base-Backbone interact. energy: -0.375
local terms energy: -27.765332
where:
bonds (distance) C4'-P energy: -5.260
bonds (distance) P-C4' energy: -8.241
flat angles C4'-P-C4' energy: -5.580
flat angles P-C4'-P energy: -5.734
tors. eta vs tors. theta energy: -2.950
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: 6
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -121.947978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.947978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.947978 (E_RNA)
where:
Base-Base interactions energy: -88.873
where: short stacking energy: -39.119
Base-Backbone interact. energy: -0.042
local terms energy: -33.032498
where:
bonds (distance) C4'-P energy: -9.076
bonds (distance) P-C4' energy: -6.565
flat angles C4'-P-C4' energy: -7.038
flat angles P-C4'-P energy: -3.911
tors. eta vs tors. theta energy: -6.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -123.515251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.515251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.515251 (E_RNA)
where:
Base-Base interactions energy: -87.792
where: short stacking energy: -39.389
Base-Backbone interact. energy: -0.003
local terms energy: -35.719987
where:
bonds (distance) C4'-P energy: -8.836
bonds (distance) P-C4' energy: -6.804
flat angles C4'-P-C4' energy: -7.397
flat angles P-C4'-P energy: -5.535
tors. eta vs tors. theta energy: -7.149
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: 2
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -65.006446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.006446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.006446 (E_RNA)
where:
Base-Base interactions energy: -32.504
where: short stacking energy: -32.504
Base-Backbone interact. energy: -0.000
local terms energy: -32.502082
where:
bonds (distance) C4'-P energy: -5.863
bonds (distance) P-C4' energy: -10.221
flat angles C4'-P-C4' energy: -8.076
flat angles P-C4'-P energy: -3.839
tors. eta vs tors. theta energy: -4.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -142.917779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.917779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.917779 (E_RNA)
where:
Base-Base interactions energy: -98.862
where: short stacking energy: -47.458
Base-Backbone interact. energy: -0.584
local terms energy: -43.472476
where:
bonds (distance) C4'-P energy: -9.151
bonds (distance) P-C4' energy: -9.027
flat angles C4'-P-C4' energy: -6.694
flat angles P-C4'-P energy: -7.655
tors. eta vs tors. theta energy: -10.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -138.998225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.998225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.998225 (E_RNA)
where:
Base-Base interactions energy: -97.295
where: short stacking energy: -48.899
Base-Backbone interact. energy: -0.025
local terms energy: -41.678422
where:
bonds (distance) C4'-P energy: -9.787
bonds (distance) P-C4' energy: -8.675
flat angles C4'-P-C4' energy: -9.439
flat angles P-C4'-P energy: -5.597
tors. eta vs tors. theta energy: -8.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -135.970228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.970228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.970228 (E_RNA)
where:
Base-Base interactions energy: -91.427
where: short stacking energy: -43.607
Base-Backbone interact. energy: -0.003
local terms energy: -44.540138
where:
bonds (distance) C4'-P energy: -7.991
bonds (distance) P-C4' energy: -10.849
flat angles C4'-P-C4' energy: -9.913
flat angles P-C4'-P energy: -6.994
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: 4, replica: 1
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -135.979438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.979438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.979438 (E_RNA)
where:
Base-Base interactions energy: -88.747
where: short stacking energy: -41.819
Base-Backbone interact. energy: -1.379
local terms energy: -45.852985
where:
bonds (distance) C4'-P energy: -9.051
bonds (distance) P-C4' energy: -10.383
flat angles C4'-P-C4' energy: -9.597
flat angles P-C4'-P energy: -7.489
tors. eta vs tors. theta energy: -9.334
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: 9
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -131.427688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.427688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.427688 (E_RNA)
where:
Base-Base interactions energy: -92.289
where: short stacking energy: -41.409
Base-Backbone interact. energy: -0.897
local terms energy: -38.241054
where:
bonds (distance) C4'-P energy: -6.083
bonds (distance) P-C4' energy: -10.895
flat angles C4'-P-C4' energy: -4.179
flat angles P-C4'-P energy: -7.750
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: 6, replica: 3
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -129.515193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.515193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.515193 (E_RNA)
where:
Base-Base interactions energy: -90.642
where: short stacking energy: -39.231
Base-Backbone interact. energy: -0.214
local terms energy: -38.658361
where:
bonds (distance) C4'-P energy: -7.081
bonds (distance) P-C4' energy: -8.728
flat angles C4'-P-C4' energy: -10.128
flat angles P-C4'-P energy: -5.674
tors. eta vs tors. theta energy: -7.047
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: 74
Temperature: 1.200000
Total energy: -123.849826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.849826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.849826 (E_RNA)
where:
Base-Base interactions energy: -83.441
where: short stacking energy: -37.984
Base-Backbone interact. energy: -1.544
local terms energy: -38.863850
where:
bonds (distance) C4'-P energy: -6.356
bonds (distance) P-C4' energy: -7.570
flat angles C4'-P-C4' energy: -9.041
flat angles P-C4'-P energy: -6.254
tors. eta vs tors. theta energy: -9.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -78.188501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.188501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.188501 (E_RNA)
where:
Base-Base interactions energy: -42.776
where: short stacking energy: -24.424
Base-Backbone interact. energy: -0.060
local terms energy: -35.352523
where:
bonds (distance) C4'-P energy: -10.293
bonds (distance) P-C4' energy: -9.147
flat angles C4'-P-C4' energy: -5.290
flat angles P-C4'-P energy: -6.555
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: 9, replica: 10
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -123.106803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.106803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.106803 (E_RNA)
where:
Base-Base interactions energy: -84.573
where: short stacking energy: -41.332
Base-Backbone interact. energy: 0.046
local terms energy: -38.580119
where:
bonds (distance) C4'-P energy: -8.899
bonds (distance) P-C4' energy: -8.238
flat angles C4'-P-C4' energy: -9.911
flat angles P-C4'-P energy: -5.497
tors. eta vs tors. theta energy: -6.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -61.040666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.040666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.040666 (E_RNA)
where:
Base-Base interactions energy: -27.224
where: short stacking energy: -27.224
Base-Backbone interact. energy: -0.045
local terms energy: -33.771859
where:
bonds (distance) C4'-P energy: -7.615
bonds (distance) P-C4' energy: -8.035
flat angles C4'-P-C4' energy: -7.557
flat angles P-C4'-P energy: -5.153
tors. eta vs tors. theta energy: -5.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -140.047068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.047068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.047068 (E_RNA)
where:
Base-Base interactions energy: -94.396
where: short stacking energy: -42.124
Base-Backbone interact. energy: -1.445
local terms energy: -44.205539
where:
bonds (distance) C4'-P energy: -9.929
bonds (distance) P-C4' energy: -7.481
flat angles C4'-P-C4' energy: -10.256
flat angles P-C4'-P energy: -7.358
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: 2, replica: 7
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -138.381863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.381863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.381863 (E_RNA)
where:
Base-Base interactions energy: -97.480
where: short stacking energy: -45.934
Base-Backbone interact. energy: -0.954
local terms energy: -39.947760
where:
bonds (distance) C4'-P energy: -10.231
bonds (distance) P-C4' energy: -6.085
flat angles C4'-P-C4' energy: -9.456
flat angles P-C4'-P energy: -5.398
tors. eta vs tors. theta energy: -8.777
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: 4
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -137.779128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.779128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.779128 (E_RNA)
where:
Base-Base interactions energy: -92.150
where: short stacking energy: -44.727
Base-Backbone interact. energy: -1.149
local terms energy: -44.480982
where:
bonds (distance) C4'-P energy: -7.498
bonds (distance) P-C4' energy: -10.680
flat angles C4'-P-C4' energy: -10.316
flat angles P-C4'-P energy: -7.575
tors. eta vs tors. theta energy: -8.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -136.504135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.504135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.504135 (E_RNA)
where:
Base-Base interactions energy: -91.735
where: short stacking energy: -42.228
Base-Backbone interact. energy: -1.336
local terms energy: -43.433884
where:
bonds (distance) C4'-P energy: -8.030
bonds (distance) P-C4' energy: -10.830
flat angles C4'-P-C4' energy: -9.404
flat angles P-C4'-P energy: -6.347
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: 5, replica: 1
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -136.582126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.582126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.582126 (E_RNA)
where:
Base-Base interactions energy: -94.306
where: short stacking energy: -40.703
Base-Backbone interact. energy: -0.792
local terms energy: -41.483767
where:
bonds (distance) C4'-P energy: -8.795
bonds (distance) P-C4' energy: -10.193
flat angles C4'-P-C4' energy: -8.081
flat angles P-C4'-P energy: -5.673
tors. eta vs tors. theta energy: -8.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -129.793779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.793779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.793779 (E_RNA)
where:
Base-Base interactions energy: -93.929
where: short stacking energy: -34.486
Base-Backbone interact. energy: -0.001
local terms energy: -35.863846
where:
bonds (distance) C4'-P energy: -8.604
bonds (distance) P-C4' energy: -9.327
flat angles C4'-P-C4' energy: -7.113
flat angles P-C4'-P energy: -5.511
tors. eta vs tors. theta energy: -5.308
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: 3
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -122.420687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.420687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.420687 (E_RNA)
where:
Base-Base interactions energy: -80.883
where: short stacking energy: -34.302
Base-Backbone interact. energy: -0.954
local terms energy: -40.583876
where:
bonds (distance) C4'-P energy: -9.544
bonds (distance) P-C4' energy: -9.151
flat angles C4'-P-C4' energy: -10.422
flat angles P-C4'-P energy: -6.603
tors. eta vs tors. theta energy: -4.864
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: 10
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -117.900227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.900227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.900227 (E_RNA)
where:
Base-Base interactions energy: -84.775
where: short stacking energy: -32.992
Base-Backbone interact. energy: -0.015
local terms energy: -33.110352
where:
bonds (distance) C4'-P energy: -6.136
bonds (distance) P-C4' energy: -9.031
flat angles C4'-P-C4' energy: -7.401
flat angles P-C4'-P energy: -3.225
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: 9, replica: 8
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -66.578474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.578474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.578474 (E_RNA)
where:
Base-Base interactions energy: -34.049
where: short stacking energy: -29.601
Base-Backbone interact. energy: -0.996
local terms energy: -31.534032
where:
bonds (distance) C4'-P energy: -6.111
bonds (distance) P-C4' energy: -11.357
flat angles C4'-P-C4' energy: -4.262
flat angles P-C4'-P energy: -3.133
tors. eta vs tors. theta energy: -6.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -76.218210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.218210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.218210 (E_RNA)
where:
Base-Base interactions energy: -47.643
where: short stacking energy: -16.947
Base-Backbone interact. energy: -0.141
local terms energy: -28.434544
where:
bonds (distance) C4'-P energy: -6.741
bonds (distance) P-C4' energy: -10.560
flat angles C4'-P-C4' energy: -7.180
flat angles P-C4'-P energy: -3.801
tors. eta vs tors. theta energy: -0.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -141.244533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.244533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.244533 (E_RNA)
where:
Base-Base interactions energy: -95.366
where: short stacking energy: -42.792
Base-Backbone interact. energy: -1.123
local terms energy: -44.755669
where:
bonds (distance) C4'-P energy: -9.283
bonds (distance) P-C4' energy: -8.414
flat angles C4'-P-C4' energy: -10.070
flat angles P-C4'-P energy: -8.317
tors. eta vs tors. theta energy: -8.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -144.283940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.283940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.283940 (E_RNA)
where:
Base-Base interactions energy: -97.741
where: short stacking energy: -47.219
Base-Backbone interact. energy: -0.985
local terms energy: -45.557893
where:
bonds (distance) C4'-P energy: -6.927
bonds (distance) P-C4' energy: -10.032
flat angles C4'-P-C4' energy: -9.680
flat angles P-C4'-P energy: -8.620
tors. eta vs tors. theta energy: -10.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -136.597474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.597474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.597474 (E_RNA)
where:
Base-Base interactions energy: -95.193
where: short stacking energy: -44.289
Base-Backbone interact. energy: -0.250
local terms energy: -41.154518
where:
bonds (distance) C4'-P energy: -7.444
bonds (distance) P-C4' energy: -11.371
flat angles C4'-P-C4' energy: -6.522
flat angles P-C4'-P energy: -8.147
tors. eta vs tors. theta energy: -7.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -134.576153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.576153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.576153 (E_RNA)
where:
Base-Base interactions energy: -95.661
where: short stacking energy: -46.157
Base-Backbone interact. energy: -0.221
local terms energy: -38.693960
where:
bonds (distance) C4'-P energy: -7.976
bonds (distance) P-C4' energy: -8.006
flat angles C4'-P-C4' energy: -7.118
flat angles P-C4'-P energy: -6.913
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: 5, replica: 6
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -135.427651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.427651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.427651 (E_RNA)
where:
Base-Base interactions energy: -95.114
where: short stacking energy: -43.463
Base-Backbone interact. energy: -1.112
local terms energy: -39.202003
where:
bonds (distance) C4'-P energy: -9.655
bonds (distance) P-C4' energy: -10.190
flat angles C4'-P-C4' energy: -8.452
flat angles P-C4'-P energy: -2.221
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: 6, replica: 1
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -128.648044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.648044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.648044 (E_RNA)
where:
Base-Base interactions energy: -84.261
where: short stacking energy: -35.216
Base-Backbone interact. energy: -0.333
local terms energy: -44.054599
where:
bonds (distance) C4'-P energy: -8.261
bonds (distance) P-C4' energy: -9.147
flat angles C4'-P-C4' energy: -9.809
flat angles P-C4'-P energy: -6.356
tors. eta vs tors. theta energy: -10.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -129.274523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.274523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.274523 (E_RNA)
where:
Base-Base interactions energy: -87.753
where: short stacking energy: -39.750
Base-Backbone interact. energy: -0.722
local terms energy: -40.799265
where:
bonds (distance) C4'-P energy: -6.130
bonds (distance) P-C4' energy: -10.867
flat angles C4'-P-C4' energy: -9.963
flat angles P-C4'-P energy: -4.767
tors. eta vs tors. theta energy: -9.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -122.017658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.017658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.017658 (E_RNA)
where:
Base-Base interactions energy: -85.956
where: short stacking energy: -36.240
Base-Backbone interact. energy: -0.096
local terms energy: -35.965517
where:
bonds (distance) C4'-P energy: -7.540
bonds (distance) P-C4' energy: -9.761
flat angles C4'-P-C4' energy: -7.494
flat angles P-C4'-P energy: -4.901
tors. eta vs tors. theta energy: -6.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -82.184820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.184820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.184820 (E_RNA)
where:
Base-Base interactions energy: -52.891
where: short stacking energy: -20.212
Base-Backbone interact. energy: -0.113
local terms energy: -29.181030
where:
bonds (distance) C4'-P energy: -7.176
bonds (distance) P-C4' energy: -9.072
flat angles C4'-P-C4' energy: -3.863
flat angles P-C4'-P energy: -7.075
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: 8
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -61.936807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.936807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.936807 (E_RNA)
where:
Base-Base interactions energy: -35.052
where: short stacking energy: -28.344
Base-Backbone interact. energy: -0.069
local terms energy: -26.815554
where:
bonds (distance) C4'-P energy: -4.779
bonds (distance) P-C4' energy: -10.451
flat angles C4'-P-C4' energy: -5.273
flat angles P-C4'-P energy: -6.012
tors. eta vs tors. theta energy: -0.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -140.591352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.591352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.591352 (E_RNA)
where:
Base-Base interactions energy: -93.077
where: short stacking energy: -41.679
Base-Backbone interact. energy: -1.831
local terms energy: -45.683474
where:
bonds (distance) C4'-P energy: -9.921
bonds (distance) P-C4' energy: -10.870
flat angles C4'-P-C4' energy: -9.278
flat angles P-C4'-P energy: -6.143
tors. eta vs tors. theta energy: -9.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -143.679690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.679690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.679690 (E_RNA)
where:
Base-Base interactions energy: -96.208
where: short stacking energy: -43.144
Base-Backbone interact. energy: -1.290
local terms energy: -46.181857
where:
bonds (distance) C4'-P energy: -9.821
bonds (distance) P-C4' energy: -10.687
flat angles C4'-P-C4' energy: -9.062
flat angles P-C4'-P energy: -7.113
tors. eta vs tors. theta energy: -9.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -138.036127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.036127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.036127 (E_RNA)
where:
Base-Base interactions energy: -96.790
where: short stacking energy: -39.148
Base-Backbone interact. energy: -0.992
local terms energy: -40.254391
where:
bonds (distance) C4'-P energy: -9.048
bonds (distance) P-C4' energy: -8.543
flat angles C4'-P-C4' energy: -7.118
flat angles P-C4'-P energy: -6.637
tors. eta vs tors. theta energy: -8.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -138.283032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.283032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.283032 (E_RNA)
where:
Base-Base interactions energy: -94.464
where: short stacking energy: -43.124
Base-Backbone interact. energy: -0.531
local terms energy: -43.287745
where:
bonds (distance) C4'-P energy: -10.454
bonds (distance) P-C4' energy: -9.858
flat angles C4'-P-C4' energy: -9.115
flat angles P-C4'-P energy: -3.130
tors. eta vs tors. theta energy: -10.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -136.744365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.744365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.744365 (E_RNA)
where:
Base-Base interactions energy: -98.107
where: short stacking energy: -36.085
Base-Backbone interact. energy: 0.311
local terms energy: -38.948258
where:
bonds (distance) C4'-P energy: -7.042
bonds (distance) P-C4' energy: -10.582
flat angles C4'-P-C4' energy: -7.346
flat angles P-C4'-P energy: -4.530
tors. eta vs tors. theta energy: -9.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -126.374690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.374690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.374690 (E_RNA)
where:
Base-Base interactions energy: -85.996
where: short stacking energy: -38.353
Base-Backbone interact. energy: -0.134
local terms energy: -40.244753
where:
bonds (distance) C4'-P energy: -10.471
bonds (distance) P-C4' energy: -8.039
flat angles C4'-P-C4' energy: -9.606
flat angles P-C4'-P energy: -5.101
tors. eta vs tors. theta energy: -7.028
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: 1
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -129.394899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.394899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.394899 (E_RNA)
where:
Base-Base interactions energy: -89.965
where: short stacking energy: -41.157
Base-Backbone interact. energy: -0.029
local terms energy: -39.400701
where:
bonds (distance) C4'-P energy: -9.833
bonds (distance) P-C4' energy: -5.261
flat angles C4'-P-C4' energy: -9.677
flat angles P-C4'-P energy: -5.687
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: 10
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -121.872464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.872464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.872464 (E_RNA)
where:
Base-Base interactions energy: -84.908
where: short stacking energy: -35.298
Base-Backbone interact. energy: -0.082
local terms energy: -36.881713
where:
bonds (distance) C4'-P energy: -9.378
bonds (distance) P-C4' energy: -9.929
flat angles C4'-P-C4' energy: -6.281
flat angles P-C4'-P energy: -4.476
tors. eta vs tors. theta energy: -6.818
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: 2
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -63.083721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.083721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.083721 (E_RNA)
where:
Base-Base interactions energy: -27.580
where: short stacking energy: -15.266
Base-Backbone interact. energy: 0.543
local terms energy: -36.047244
where:
bonds (distance) C4'-P energy: -8.860
bonds (distance) P-C4' energy: -8.641
flat angles C4'-P-C4' energy: -6.001
flat angles P-C4'-P energy: -5.873
tors. eta vs tors. theta energy: -6.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -63.856404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.856404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.856404 (E_RNA)
where:
Base-Base interactions energy: -35.253
where: short stacking energy: -17.503
Base-Backbone interact. energy: -0.133
local terms energy: -28.470237
where:
bonds (distance) C4'-P energy: -5.685
bonds (distance) P-C4' energy: -8.806
flat angles C4'-P-C4' energy: -7.521
flat angles P-C4'-P energy: -6.377
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: 1, replica: 7
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -142.228928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.228928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.228928 (E_RNA)
where:
Base-Base interactions energy: -94.943
where: short stacking energy: -43.968
Base-Backbone interact. energy: -0.406
local terms energy: -46.879816
where:
bonds (distance) C4'-P energy: -9.042
bonds (distance) P-C4' energy: -9.724
flat angles C4'-P-C4' energy: -9.467
flat angles P-C4'-P energy: -8.678
tors. eta vs tors. theta energy: -9.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -143.351905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.351905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.351905 (E_RNA)
where:
Base-Base interactions energy: -95.227
where: short stacking energy: -43.134
Base-Backbone interact. energy: -1.844
local terms energy: -46.280626
where:
bonds (distance) C4'-P energy: -10.338
bonds (distance) P-C4' energy: -11.085
flat angles C4'-P-C4' energy: -9.461
flat angles P-C4'-P energy: -5.784
tors. eta vs tors. theta energy: -9.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -136.883596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.883596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.883596 (E_RNA)
where:
Base-Base interactions energy: -90.099
where: short stacking energy: -41.747
Base-Backbone interact. energy: -1.404
local terms energy: -45.381445
where:
bonds (distance) C4'-P energy: -8.820
bonds (distance) P-C4' energy: -10.448
flat angles C4'-P-C4' energy: -9.090
flat angles P-C4'-P energy: -7.049
tors. eta vs tors. theta energy: -9.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -129.164982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.164982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.164982 (E_RNA)
where:
Base-Base interactions energy: -90.707
where: short stacking energy: -39.264
Base-Backbone interact. energy: -0.039
local terms energy: -38.418975
where:
bonds (distance) C4'-P energy: -9.805
bonds (distance) P-C4' energy: -9.812
flat angles C4'-P-C4' energy: -4.247
flat angles P-C4'-P energy: -6.835
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: 5, replica: 3
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -133.469442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.469442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.469442 (E_RNA)
where:
Base-Base interactions energy: -93.105
where: short stacking energy: -43.354
Base-Backbone interact. energy: -0.228
local terms energy: -40.135578
where:
bonds (distance) C4'-P energy: -9.221
bonds (distance) P-C4' energy: -8.858
flat angles C4'-P-C4' energy: -7.901
flat angles P-C4'-P energy: -5.921
tors. eta vs tors. theta energy: -8.235
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: 4
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -135.698869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.698869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.698869 (E_RNA)
where:
Base-Base interactions energy: -92.050
where: short stacking energy: -43.935
Base-Backbone interact. energy: -0.072
local terms energy: -43.576779
where:
bonds (distance) C4'-P energy: -7.018
bonds (distance) P-C4' energy: -9.503
flat angles C4'-P-C4' energy: -10.533
flat angles P-C4'-P energy: -6.482
tors. eta vs tors. theta energy: -10.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -133.293924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.293924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.293924 (E_RNA)
where:
Base-Base interactions energy: -92.697
where: short stacking energy: -41.805
Base-Backbone interact. energy: -0.005
local terms energy: -40.591988
where:
bonds (distance) C4'-P energy: -8.964
bonds (distance) P-C4' energy: -8.776
flat angles C4'-P-C4' energy: -7.404
flat angles P-C4'-P energy: -3.892
tors. eta vs tors. theta energy: -11.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -122.816474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.816474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.816474 (E_RNA)
where:
Base-Base interactions energy: -87.147
where: short stacking energy: -41.390
Base-Backbone interact. energy: -0.113
local terms energy: -35.556324
where:
bonds (distance) C4'-P energy: -7.179
bonds (distance) P-C4' energy: -7.472
flat angles C4'-P-C4' energy: -4.420
flat angles P-C4'-P energy: -7.274
tors. eta vs tors. theta energy: -9.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -59.863980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.863980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.863980 (E_RNA)
where:
Base-Base interactions energy: -26.495
where: short stacking energy: -26.495
Base-Backbone interact. energy: -0.077
local terms energy: -33.292217
where:
bonds (distance) C4'-P energy: -9.921
bonds (distance) P-C4' energy: -7.513
flat angles C4'-P-C4' energy: -8.955
flat angles P-C4'-P energy: -2.535
tors. eta vs tors. theta energy: -4.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -63.863435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.863435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.863435 (E_RNA)
where:
Base-Base interactions energy: -32.145
where: short stacking energy: -20.805
Base-Backbone interact. energy: -0.039
local terms energy: -31.679776
where:
bonds (distance) C4'-P energy: -5.374
bonds (distance) P-C4' energy: -9.447
flat angles C4'-P-C4' energy: -9.039
flat angles P-C4'-P energy: -5.300
tors. eta vs tors. theta energy: -2.518
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: 7
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -140.191427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.191427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.191427 (E_RNA)
where:
Base-Base interactions energy: -95.406
where: short stacking energy: -45.417
Base-Backbone interact. energy: -0.759
local terms energy: -44.026161
where:
bonds (distance) C4'-P energy: -9.466
bonds (distance) P-C4' energy: -7.861
flat angles C4'-P-C4' energy: -8.432
flat angles P-C4'-P energy: -8.113
tors. eta vs tors. theta energy: -10.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -140.795974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.795974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.795974 (E_RNA)
where:
Base-Base interactions energy: -96.312
where: short stacking energy: -45.421
Base-Backbone interact. energy: -1.065
local terms energy: -43.418763
where:
bonds (distance) C4'-P energy: -7.798
bonds (distance) P-C4' energy: -10.827
flat angles C4'-P-C4' energy: -7.230
flat angles P-C4'-P energy: -5.934
tors. eta vs tors. theta energy: -11.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -139.367556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.367556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.367556 (E_RNA)
where:
Base-Base interactions energy: -96.767
where: short stacking energy: -46.060
Base-Backbone interact. energy: -1.340
local terms energy: -41.260509
where:
bonds (distance) C4'-P energy: -8.508
bonds (distance) P-C4' energy: -6.442
flat angles C4'-P-C4' energy: -8.560
flat angles P-C4'-P energy: -8.309
tors. eta vs tors. theta energy: -9.441
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: 3
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -137.774357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.774357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.774357 (E_RNA)
where:
Base-Base interactions energy: -99.444
where: short stacking energy: -41.720
Base-Backbone interact. energy: -0.005
local terms energy: -38.325549
where:
bonds (distance) C4'-P energy: -8.439
bonds (distance) P-C4' energy: -10.143
flat angles C4'-P-C4' energy: -8.430
flat angles P-C4'-P energy: -1.223
tors. eta vs tors. theta energy: -10.090
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: 5, replica: 9
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -136.641732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.641732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.641732 (E_RNA)
where:
Base-Base interactions energy: -95.893
where: short stacking energy: -45.966
Base-Backbone interact. energy: -0.321
local terms energy: -40.427312
where:
bonds (distance) C4'-P energy: -8.392
bonds (distance) P-C4' energy: -10.000
flat angles C4'-P-C4' energy: -8.386
flat angles P-C4'-P energy: -6.283
tors. eta vs tors. theta energy: -7.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -131.589878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.589878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.589878 (E_RNA)
where:
Base-Base interactions energy: -92.378
where: short stacking energy: -37.232
Base-Backbone interact. energy: -0.003
local terms energy: -39.208608
where:
bonds (distance) C4'-P energy: -8.898
bonds (distance) P-C4' energy: -9.957
flat angles C4'-P-C4' energy: -9.228
flat angles P-C4'-P energy: -0.894
tors. eta vs tors. theta energy: -10.232
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: 79
Temperature: 1.200000
Total energy: -128.993840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.993840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.993840 (E_RNA)
where:
Base-Base interactions energy: -88.437
where: short stacking energy: -43.045
Base-Backbone interact. energy: -0.793
local terms energy: -39.764578
where:
bonds (distance) C4'-P energy: -8.836
bonds (distance) P-C4' energy: -8.457
flat angles C4'-P-C4' energy: -8.140
flat angles P-C4'-P energy: -4.545
tors. eta vs tors. theta energy: -9.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -123.300984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.300984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.300984 (E_RNA)
where:
Base-Base interactions energy: -91.198
where: short stacking energy: -42.737
Base-Backbone interact. energy: -0.372
local terms energy: -31.731602
where:
bonds (distance) C4'-P energy: -6.493
bonds (distance) P-C4' energy: -4.537
flat angles C4'-P-C4' energy: -8.778
flat angles P-C4'-P energy: -4.021
tors. eta vs tors. theta energy: -7.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -63.837485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.837485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.837485 (E_RNA)
where:
Base-Base interactions energy: -35.775
where: short stacking energy: -28.598
Base-Backbone interact. energy: -0.004
local terms energy: -28.058499
where:
bonds (distance) C4'-P energy: -8.431
bonds (distance) P-C4' energy: -8.211
flat angles C4'-P-C4' energy: -5.158
flat angles P-C4'-P energy: -2.422
tors. eta vs tors. theta energy: -3.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -57.882009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.882009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.882009 (E_RNA)
where:
Base-Base interactions energy: -27.669
where: short stacking energy: -27.669
Base-Backbone interact. energy: -0.058
local terms energy: -30.154547
where:
bonds (distance) C4'-P energy: -9.903
bonds (distance) P-C4' energy: -7.002
flat angles C4'-P-C4' energy: -7.523
flat angles P-C4'-P energy: -5.261
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: 6
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -139.959279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.959279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.959279 (E_RNA)
where:
Base-Base interactions energy: -92.042
where: short stacking energy: -42.655
Base-Backbone interact. energy: -1.559
local terms energy: -46.358099
where:
bonds (distance) C4'-P energy: -8.774
bonds (distance) P-C4' energy: -10.867
flat angles C4'-P-C4' energy: -8.544
flat angles P-C4'-P energy: -7.194
tors. eta vs tors. theta energy: -10.979
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: 7
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -140.035631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.035631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.035631 (E_RNA)
where:
Base-Base interactions energy: -96.971
where: short stacking energy: -44.956
Base-Backbone interact. energy: -1.277
local terms energy: -41.786803
where:
bonds (distance) C4'-P energy: -9.093
bonds (distance) P-C4' energy: -7.604
flat angles C4'-P-C4' energy: -7.569
flat angles P-C4'-P energy: -7.484
tors. eta vs tors. theta energy: -10.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -143.900642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.900642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.900642 (E_RNA)
where:
Base-Base interactions energy: -103.495
where: short stacking energy: -40.206
Base-Backbone interact. energy: -0.320
local terms energy: -40.085542
where:
bonds (distance) C4'-P energy: -7.436
bonds (distance) P-C4' energy: -9.803
flat angles C4'-P-C4' energy: -9.373
flat angles P-C4'-P energy: -4.994
tors. eta vs tors. theta energy: -8.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -138.485027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.485027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.485027 (E_RNA)
where:
Base-Base interactions energy: -91.181
where: short stacking energy: -39.792
Base-Backbone interact. energy: -0.745
local terms energy: -46.558547
where:
bonds (distance) C4'-P energy: -10.053
bonds (distance) P-C4' energy: -9.865
flat angles C4'-P-C4' energy: -10.407
flat angles P-C4'-P energy: -6.801
tors. eta vs tors. theta energy: -9.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -130.668865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.668865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.668865 (E_RNA)
where:
Base-Base interactions energy: -91.714
where: short stacking energy: -35.338
Base-Backbone interact. energy: -0.604
local terms energy: -38.351299
where:
bonds (distance) C4'-P energy: -9.263
bonds (distance) P-C4' energy: -7.512
flat angles C4'-P-C4' energy: -9.630
flat angles P-C4'-P energy: -2.503
tors. eta vs tors. theta energy: -9.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -132.735851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.735851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.735851 (E_RNA)
where:
Base-Base interactions energy: -93.244
where: short stacking energy: -43.317
Base-Backbone interact. energy: -1.751
local terms energy: -37.740568
where:
bonds (distance) C4'-P energy: -8.207
bonds (distance) P-C4' energy: -4.650
flat angles C4'-P-C4' energy: -8.497
flat angles P-C4'-P energy: -7.121
tors. eta vs tors. theta energy: -9.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -132.175703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.175703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.175703 (E_RNA)
where:
Base-Base interactions energy: -94.219
where: short stacking energy: -43.293
Base-Backbone interact. energy: -0.624
local terms energy: -37.333449
where:
bonds (distance) C4'-P energy: -5.825
bonds (distance) P-C4' energy: -9.037
flat angles C4'-P-C4' energy: -8.206
flat angles P-C4'-P energy: -4.120
tors. eta vs tors. theta energy: -10.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -126.152527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.152527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.152527 (E_RNA)
where:
Base-Base interactions energy: -87.886
where: short stacking energy: -37.108
Base-Backbone interact. energy: -0.156
local terms energy: -38.110499
where:
bonds (distance) C4'-P energy: -9.246
bonds (distance) P-C4' energy: -9.245
flat angles C4'-P-C4' energy: -9.545
flat angles P-C4'-P energy: -3.711
tors. eta vs tors. theta energy: -6.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -70.539479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.539479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.539479 (E_RNA)
where:
Base-Base interactions energy: -33.506
where: short stacking energy: -28.833
Base-Backbone interact. energy: -0.062
local terms energy: -36.971532
where:
bonds (distance) C4'-P energy: -9.271
bonds (distance) P-C4' energy: -11.357
flat angles C4'-P-C4' energy: -7.310
flat angles P-C4'-P energy: -5.199
tors. eta vs tors. theta energy: -3.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -54.754640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.754640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.754640 (E_RNA)
where:
Base-Base interactions energy: -22.761
where: short stacking energy: -8.345
Base-Backbone interact. energy: -0.157
local terms energy: -31.836224
where:
bonds (distance) C4'-P energy: -6.956
bonds (distance) P-C4' energy: -7.985
flat angles C4'-P-C4' energy: -9.755
flat angles P-C4'-P energy: -6.105
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: 1, replica: 6
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -143.091731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.091731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.091731 (E_RNA)
where:
Base-Base interactions energy: -97.385
where: short stacking energy: -44.840
Base-Backbone interact. energy: 0.747
local terms energy: -46.453929
where:
bonds (distance) C4'-P energy: -8.910
bonds (distance) P-C4' energy: -10.694
flat angles C4'-P-C4' energy: -9.414
flat angles P-C4'-P energy: -7.810
tors. eta vs tors. theta energy: -9.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -141.898081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.898081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.898081 (E_RNA)
where:
Base-Base interactions energy: -100.357
where: short stacking energy: -43.792
Base-Backbone interact. energy: -0.037
local terms energy: -41.504661
where:
bonds (distance) C4'-P energy: -9.201
bonds (distance) P-C4' energy: -10.423
flat angles C4'-P-C4' energy: -10.606
flat angles P-C4'-P energy: -2.480
tors. eta vs tors. theta energy: -8.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -144.373741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.373741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.373741 (E_RNA)
where:
Base-Base interactions energy: -97.732
where: short stacking energy: -45.145
Base-Backbone interact. energy: -1.308
local terms energy: -45.333586
where:
bonds (distance) C4'-P energy: -9.883
bonds (distance) P-C4' energy: -9.112
flat angles C4'-P-C4' energy: -9.849
flat angles P-C4'-P energy: -7.319
tors. eta vs tors. theta energy: -9.170
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: 4, replica: 5
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -136.717557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.717557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.717557 (E_RNA)
where:
Base-Base interactions energy: -94.957
where: short stacking energy: -44.022
Base-Backbone interact. energy: 1.143
local terms energy: -42.903797
where:
bonds (distance) C4'-P energy: -10.140
bonds (distance) P-C4' energy: -5.977
flat angles C4'-P-C4' energy: -9.751
flat angles P-C4'-P energy: -7.640
tors. eta vs tors. theta energy: -9.396
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: 1
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -130.393467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.393467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.393467 (E_RNA)
where:
Base-Base interactions energy: -90.704
where: short stacking energy: -40.411
Base-Backbone interact. energy: -0.642
local terms energy: -39.047549
where:
bonds (distance) C4'-P energy: -6.191
bonds (distance) P-C4' energy: -9.077
flat angles C4'-P-C4' energy: -9.088
flat angles P-C4'-P energy: -6.526
tors. eta vs tors. theta energy: -8.165
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: 81
Temperature: 1.150000
Total energy: -134.564979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.564979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.564979 (E_RNA)
where:
Base-Base interactions energy: -95.136
where: short stacking energy: -41.883
Base-Backbone interact. energy: -0.005
local terms energy: -39.424225
where:
bonds (distance) C4'-P energy: -9.404
bonds (distance) P-C4' energy: -8.766
flat angles C4'-P-C4' energy: -9.468
flat angles P-C4'-P energy: -3.534
tors. eta vs tors. theta energy: -8.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -130.259993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.259993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.259993 (E_RNA)
where:
Base-Base interactions energy: -92.341
where: short stacking energy: -40.205
Base-Backbone interact. energy: -1.431
local terms energy: -36.488200
where:
bonds (distance) C4'-P energy: -7.676
bonds (distance) P-C4' energy: -6.408
flat angles C4'-P-C4' energy: -7.949
flat angles P-C4'-P energy: -5.289
tors. eta vs tors. theta energy: -9.166
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: 4
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -130.831006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.831006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.831006 (E_RNA)
where:
Base-Base interactions energy: -88.953
where: short stacking energy: -40.239
Base-Backbone interact. energy: -0.969
local terms energy: -40.909103
where:
bonds (distance) C4'-P energy: -7.655
bonds (distance) P-C4' energy: -8.502
flat angles C4'-P-C4' energy: -8.118
flat angles P-C4'-P energy: -8.151
tors. eta vs tors. theta energy: -8.482
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: 81
Temperature: 1.300000
Total energy: -68.435719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.435719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.435719 (E_RNA)
where:
Base-Base interactions energy: -33.439
where: short stacking energy: -26.328
Base-Backbone interact. energy: -0.100
local terms energy: -34.897259
where:
bonds (distance) C4'-P energy: -7.042
bonds (distance) P-C4' energy: -10.585
flat angles C4'-P-C4' energy: -7.540
flat angles P-C4'-P energy: -6.294
tors. eta vs tors. theta energy: -3.437
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: 8
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -65.034218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.034218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.034218 (E_RNA)
where:
Base-Base interactions energy: -32.825
where: short stacking energy: -32.825
Base-Backbone interact. energy: -0.021
local terms energy: -32.188539
where:
bonds (distance) C4'-P energy: -6.918
bonds (distance) P-C4' energy: -5.479
flat angles C4'-P-C4' energy: -8.382
flat angles P-C4'-P energy: -5.345
tors. eta vs tors. theta energy: -6.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -142.799471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.799471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.799471 (E_RNA)
where:
Base-Base interactions energy: -96.629
where: short stacking energy: -45.770
Base-Backbone interact. energy: -1.910
local terms energy: -44.260081
where:
bonds (distance) C4'-P energy: -8.666
bonds (distance) P-C4' energy: -10.398
flat angles C4'-P-C4' energy: -6.504
flat angles P-C4'-P energy: -7.521
tors. eta vs tors. theta energy: -11.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -141.950046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.950046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.950046 (E_RNA)
where:
Base-Base interactions energy: -97.799
where: short stacking energy: -45.455
Base-Backbone interact. energy: -0.664
local terms energy: -43.487484
where:
bonds (distance) C4'-P energy: -8.676
bonds (distance) P-C4' energy: -10.101
flat angles C4'-P-C4' energy: -6.160
flat angles P-C4'-P energy: -7.877
tors. eta vs tors. theta energy: -10.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -135.991882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.991882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.991882 (E_RNA)
where:
Base-Base interactions energy: -93.876
where: short stacking energy: -40.813
Base-Backbone interact. energy: -0.105
local terms energy: -42.010746
where:
bonds (distance) C4'-P energy: -9.838
bonds (distance) P-C4' energy: -9.821
flat angles C4'-P-C4' energy: -8.893
flat angles P-C4'-P energy: -6.498
tors. eta vs tors. theta energy: -6.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -139.429995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.429995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.429995 (E_RNA)
where:
Base-Base interactions energy: -92.779
where: short stacking energy: -41.655
Base-Backbone interact. energy: -1.077
local terms energy: -45.574404
where:
bonds (distance) C4'-P energy: -8.934
bonds (distance) P-C4' energy: -8.982
flat angles C4'-P-C4' energy: -9.555
flat angles P-C4'-P energy: -8.770
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: 1
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -132.813212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.813212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.813212 (E_RNA)
where:
Base-Base interactions energy: -91.482
where: short stacking energy: -41.030
Base-Backbone interact. energy: -0.000
local terms energy: -41.331218
where:
bonds (distance) C4'-P energy: -8.679
bonds (distance) P-C4' energy: -10.677
flat angles C4'-P-C4' energy: -5.762
flat angles P-C4'-P energy: -7.148
tors. eta vs tors. theta energy: -9.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -130.368149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.368149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.368149 (E_RNA)
where:
Base-Base interactions energy: -94.161
where: short stacking energy: -36.562
Base-Backbone interact. energy: -0.048
local terms energy: -36.159445
where:
bonds (distance) C4'-P energy: -8.090
bonds (distance) P-C4' energy: -8.199
flat angles C4'-P-C4' energy: -7.702
flat angles P-C4'-P energy: -3.245
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: 7, replica: 4
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -133.661623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.661623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.661623 (E_RNA)
where:
Base-Base interactions energy: -94.735
where: short stacking energy: -44.505
Base-Backbone interact. energy: -0.176
local terms energy: -38.750426
where:
bonds (distance) C4'-P energy: -8.446
bonds (distance) P-C4' energy: -11.339
flat angles C4'-P-C4' energy: -4.988
flat angles P-C4'-P energy: -4.977
tors. eta vs tors. theta energy: -9.000
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: 82
Temperature: 1.250000
Total energy: -126.770693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.770693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.770693 (E_RNA)
where:
Base-Base interactions energy: -84.894
where: short stacking energy: -39.199
Base-Backbone interact. energy: -1.388
local terms energy: -40.488001
where:
bonds (distance) C4'-P energy: -9.511
bonds (distance) P-C4' energy: -8.843
flat angles C4'-P-C4' energy: -7.679
flat angles P-C4'-P energy: -6.647
tors. eta vs tors. theta energy: -7.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -71.094333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.094333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.094333 (E_RNA)
where:
Base-Base interactions energy: -32.908
where: short stacking energy: -27.239
Base-Backbone interact. energy: -0.020
local terms energy: -38.166556
where:
bonds (distance) C4'-P energy: -9.084
bonds (distance) P-C4' energy: -9.997
flat angles C4'-P-C4' energy: -4.903
flat angles P-C4'-P energy: -6.716
tors. eta vs tors. theta energy: -7.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -52.432311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.432311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.432311 (E_RNA)
where:
Base-Base interactions energy: -28.085
where: short stacking energy: -23.418
Base-Backbone interact. energy: -0.172
local terms energy: -24.175242
where:
bonds (distance) C4'-P energy: -7.536
bonds (distance) P-C4' energy: -8.682
flat angles C4'-P-C4' energy: -6.649
flat angles P-C4'-P energy: -1.350
tors. eta vs tors. theta energy: 0.041
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: 3
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -141.835375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.835375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.835375 (E_RNA)
where:
Base-Base interactions energy: -100.764
where: short stacking energy: -43.433
Base-Backbone interact. energy: -0.010
local terms energy: -41.060983
where:
bonds (distance) C4'-P energy: -8.277
bonds (distance) P-C4' energy: -8.879
flat angles C4'-P-C4' energy: -10.315
flat angles P-C4'-P energy: -7.186
tors. eta vs tors. theta energy: -6.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -138.718891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.718891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.718891 (E_RNA)
where:
Base-Base interactions energy: -91.662
where: short stacking energy: -44.439
Base-Backbone interact. energy: -0.134
local terms energy: -46.922573
where:
bonds (distance) C4'-P energy: -9.547
bonds (distance) P-C4' energy: -9.693
flat angles C4'-P-C4' energy: -10.380
flat angles P-C4'-P energy: -6.827
tors. eta vs tors. theta energy: -10.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -140.268661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.268661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.268661 (E_RNA)
where:
Base-Base interactions energy: -96.848
where: short stacking energy: -45.736
Base-Backbone interact. energy: 0.220
local terms energy: -43.640827
where:
bonds (distance) C4'-P energy: -9.704
bonds (distance) P-C4' energy: -8.131
flat angles C4'-P-C4' energy: -9.001
flat angles P-C4'-P energy: -6.846
tors. eta vs tors. theta energy: -9.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -133.654527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.654527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.654527 (E_RNA)
where:
Base-Base interactions energy: -92.681
where: short stacking energy: -41.285
Base-Backbone interact. energy: -0.001
local terms energy: -40.972549
where:
bonds (distance) C4'-P energy: -9.779
bonds (distance) P-C4' energy: -4.486
flat angles C4'-P-C4' energy: -9.251
flat angles P-C4'-P energy: -7.637
tors. eta vs tors. theta energy: -9.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -130.405526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.405526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.405526 (E_RNA)
where:
Base-Base interactions energy: -90.295
where: short stacking energy: -43.414
Base-Backbone interact. energy: -0.022
local terms energy: -40.088686
where:
bonds (distance) C4'-P energy: -6.856
bonds (distance) P-C4' energy: -6.696
flat angles C4'-P-C4' energy: -9.769
flat angles P-C4'-P energy: -8.398
tors. eta vs tors. theta energy: -8.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -126.884066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.884066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.884066 (E_RNA)
where:
Base-Base interactions energy: -85.018
where: short stacking energy: -38.794
Base-Backbone interact. energy: 0.685
local terms energy: -42.551867
where:
bonds (distance) C4'-P energy: -7.197
bonds (distance) P-C4' energy: -9.646
flat angles C4'-P-C4' energy: -10.406
flat angles P-C4'-P energy: -8.607
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: 10
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -126.058361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.058361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.058361 (E_RNA)
where:
Base-Base interactions energy: -82.208
where: short stacking energy: -32.034
Base-Backbone interact. energy: -1.740
local terms energy: -42.110765
where:
bonds (distance) C4'-P energy: -9.759
bonds (distance) P-C4' energy: -9.411
flat angles C4'-P-C4' energy: -6.786
flat angles P-C4'-P energy: -7.156
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: 9
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -124.525626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.525626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.525626 (E_RNA)
where:
Base-Base interactions energy: -82.667
where: short stacking energy: -35.185
Base-Backbone interact. energy: -1.223
local terms energy: -40.635199
where:
bonds (distance) C4'-P energy: -7.027
bonds (distance) P-C4' energy: -7.714
flat angles C4'-P-C4' energy: -10.801
flat angles P-C4'-P energy: -7.585
tors. eta vs tors. theta energy: -7.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -79.936715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.936715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.936715 (E_RNA)
where:
Base-Base interactions energy: -41.067
where: short stacking energy: -36.893
Base-Backbone interact. energy: -0.002
local terms energy: -38.867309
where:
bonds (distance) C4'-P energy: -7.229
bonds (distance) P-C4' energy: -10.303
flat angles C4'-P-C4' energy: -6.733
flat angles P-C4'-P energy: -5.679
tors. eta vs tors. theta energy: -8.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -63.255032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.255032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.255032 (E_RNA)
where:
Base-Base interactions energy: -30.269
where: short stacking energy: -30.569
Base-Backbone interact. energy: -0.000
local terms energy: -32.985436
where:
bonds (distance) C4'-P energy: -4.907
bonds (distance) P-C4' energy: -9.739
flat angles C4'-P-C4' energy: -5.922
flat angles P-C4'-P energy: -4.859
tors. eta vs tors. theta energy: -7.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -141.847963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.847963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.847963 (E_RNA)
where:
Base-Base interactions energy: -99.515
where: short stacking energy: -37.721
Base-Backbone interact. energy: -0.096
local terms energy: -42.237193
where:
bonds (distance) C4'-P energy: -10.554
bonds (distance) P-C4' energy: -10.226
flat angles C4'-P-C4' energy: -8.492
flat angles P-C4'-P energy: -4.781
tors. eta vs tors. theta energy: -8.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -137.955406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.955406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.955406 (E_RNA)
where:
Base-Base interactions energy: -98.058
where: short stacking energy: -39.893
Base-Backbone interact. energy: -0.011
local terms energy: -39.886371
where:
bonds (distance) C4'-P energy: -8.654
bonds (distance) P-C4' energy: -5.659
flat angles C4'-P-C4' energy: -9.526
flat angles P-C4'-P energy: -6.788
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: 3, replica: 7
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -144.077724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.077724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.077724 (E_RNA)
where:
Base-Base interactions energy: -103.275
where: short stacking energy: -39.551
Base-Backbone interact. energy: -0.008
local terms energy: -40.795243
where:
bonds (distance) C4'-P energy: -9.291
bonds (distance) P-C4' energy: -9.647
flat angles C4'-P-C4' energy: -7.561
flat angles P-C4'-P energy: -4.748
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: 4, replica: 6
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -138.000260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.000260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.000260 (E_RNA)
where:
Base-Base interactions energy: -94.186
where: short stacking energy: -40.568
Base-Backbone interact. energy: -0.533
local terms energy: -43.281498
where:
bonds (distance) C4'-P energy: -9.619
bonds (distance) P-C4' energy: -9.834
flat angles C4'-P-C4' energy: -7.930
flat angles P-C4'-P energy: -4.632
tors. eta vs tors. theta energy: -11.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -135.472080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.472080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.472080 (E_RNA)
where:
Base-Base interactions energy: -92.966
where: short stacking energy: -43.916
Base-Backbone interact. energy: 0.157
local terms energy: -42.663511
where:
bonds (distance) C4'-P energy: -6.102
bonds (distance) P-C4' energy: -10.637
flat angles C4'-P-C4' energy: -7.882
flat angles P-C4'-P energy: -7.505
tors. eta vs tors. theta energy: -10.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -137.733067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.733067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.733067 (E_RNA)
where:
Base-Base interactions energy: -97.182
where: short stacking energy: -40.117
Base-Backbone interact. energy: -0.141
local terms energy: -40.410296
where:
bonds (distance) C4'-P energy: -10.632
bonds (distance) P-C4' energy: -10.233
flat angles C4'-P-C4' energy: -6.225
flat angles P-C4'-P energy: -5.357
tors. eta vs tors. theta energy: -7.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -128.739451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.739451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.739451 (E_RNA)
where:
Base-Base interactions energy: -87.130
where: short stacking energy: -33.516
Base-Backbone interact. energy: -0.255
local terms energy: -41.354521
where:
bonds (distance) C4'-P energy: -7.983
bonds (distance) P-C4' energy: -8.109
flat angles C4'-P-C4' energy: -10.789
flat angles P-C4'-P energy: -6.795
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: 8, replica: 9
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -125.381415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.381415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.381415 (E_RNA)
where:
Base-Base interactions energy: -90.359
where: short stacking energy: -41.693
Base-Backbone interact. energy: -1.544
local terms energy: -33.478585
where:
bonds (distance) C4'-P energy: -3.189
bonds (distance) P-C4' energy: -7.688
flat angles C4'-P-C4' energy: -6.291
flat angles P-C4'-P energy: -6.885
tors. eta vs tors. theta energy: -9.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -63.220163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.220163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.220163 (E_RNA)
where:
Base-Base interactions energy: -36.752
where: short stacking energy: -25.758
Base-Backbone interact. energy: -0.010
local terms energy: -26.458106
where:
bonds (distance) C4'-P energy: -9.291
bonds (distance) P-C4' energy: -3.734
flat angles C4'-P-C4' energy: -3.425
flat angles P-C4'-P energy: -5.759
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: 10, replica: 8
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -57.634802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.634802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.634802 (E_RNA)
where:
Base-Base interactions energy: -28.634
where: short stacking energy: -28.634
Base-Backbone interact. energy: -0.051
local terms energy: -28.948920
where:
bonds (distance) C4'-P energy: -5.748
bonds (distance) P-C4' energy: -9.140
flat angles C4'-P-C4' energy: -10.868
flat angles P-C4'-P energy: 0.738
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: 1, replica: 5
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -142.614784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.614784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.614784 (E_RNA)
where:
Base-Base interactions energy: -98.635
where: short stacking energy: -36.866
Base-Backbone interact. energy: -0.026
local terms energy: -43.954154
where:
bonds (distance) C4'-P energy: -9.382
bonds (distance) P-C4' energy: -10.902
flat angles C4'-P-C4' energy: -9.686
flat angles P-C4'-P energy: -4.561
tors. eta vs tors. theta energy: -9.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -140.239059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.239059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.239059 (E_RNA)
where:
Base-Base interactions energy: -98.197
where: short stacking energy: -45.582
Base-Backbone interact. energy: -0.020
local terms energy: -42.021517
where:
bonds (distance) C4'-P energy: -8.439
bonds (distance) P-C4' energy: -8.240
flat angles C4'-P-C4' energy: -9.509
flat angles P-C4'-P energy: -6.905
tors. eta vs tors. theta energy: -8.929
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: 3, replica: 3
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -143.409700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.409700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.409700 (E_RNA)
where:
Base-Base interactions energy: -100.020
where: short stacking energy: -48.032
Base-Backbone interact. energy: -0.396
local terms energy: -42.994025
where:
bonds (distance) C4'-P energy: -8.609
bonds (distance) P-C4' energy: -11.377
flat angles C4'-P-C4' energy: -9.603
flat angles P-C4'-P energy: -4.704
tors. eta vs tors. theta energy: -8.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -138.901340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.901340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.901340 (E_RNA)
where:
Base-Base interactions energy: -103.825
where: short stacking energy: -41.597
Base-Backbone interact. energy: -0.040
local terms energy: -35.035428
where:
bonds (distance) C4'-P energy: -6.232
bonds (distance) P-C4' energy: -9.345
flat angles C4'-P-C4' energy: -8.991
flat angles P-C4'-P energy: -3.589
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: 5, replica: 6
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -132.549677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.549677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.549677 (E_RNA)
where:
Base-Base interactions energy: -94.666
where: short stacking energy: -42.646
Base-Backbone interact. energy: -1.061
local terms energy: -36.823504
where:
bonds (distance) C4'-P energy: -7.640
bonds (distance) P-C4' energy: -6.125
flat angles C4'-P-C4' energy: -9.743
flat angles P-C4'-P energy: -4.113
tors. eta vs tors. theta energy: -9.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -133.865288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.865288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.865288 (E_RNA)
where:
Base-Base interactions energy: -96.729
where: short stacking energy: -34.118
Base-Backbone interact. energy: -0.257
local terms energy: -36.879957
where:
bonds (distance) C4'-P energy: -7.548
bonds (distance) P-C4' energy: -8.886
flat angles C4'-P-C4' energy: -8.025
flat angles P-C4'-P energy: -4.349
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: 7, replica: 4
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -132.348514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.348514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.348514 (E_RNA)
where:
Base-Base interactions energy: -89.300
where: short stacking energy: -42.258
Base-Backbone interact. energy: -1.589
local terms energy: -41.459840
where:
bonds (distance) C4'-P energy: -7.065
bonds (distance) P-C4' energy: -11.085
flat angles C4'-P-C4' energy: -7.499
flat angles P-C4'-P energy: -5.680
tors. eta vs tors. theta energy: -10.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -78.382456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.382456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.382456 (E_RNA)
where:
Base-Base interactions energy: -37.039
where: short stacking energy: -25.936
Base-Backbone interact. energy: -0.008
local terms energy: -41.334928
where:
bonds (distance) C4'-P energy: -9.415
bonds (distance) P-C4' energy: -10.426
flat angles C4'-P-C4' energy: -8.513
flat angles P-C4'-P energy: -5.665
tors. eta vs tors. theta energy: -7.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -124.370419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.370419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.370419 (E_RNA)
where:
Base-Base interactions energy: -85.436
where: short stacking energy: -34.048
Base-Backbone interact. energy: -0.222
local terms energy: -38.712567
where:
bonds (distance) C4'-P energy: -6.582
bonds (distance) P-C4' energy: -10.205
flat angles C4'-P-C4' energy: -8.516
flat angles P-C4'-P energy: -5.474
tors. eta vs tors. theta energy: -7.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -59.732111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.732111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.732111 (E_RNA)
where:
Base-Base interactions energy: -22.969
where: short stacking energy: -22.969
Base-Backbone interact. energy: -0.002
local terms energy: -36.760888
where:
bonds (distance) C4'-P energy: -8.206
bonds (distance) P-C4' energy: -10.211
flat angles C4'-P-C4' energy: -9.713
flat angles P-C4'-P energy: -4.856
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: 1, replica: 7
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -146.201139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.201139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.201139 (E_RNA)
where:
Base-Base interactions energy: -98.453
where: short stacking energy: -46.923
Base-Backbone interact. energy: -0.190
local terms energy: -47.557610
where:
bonds (distance) C4'-P energy: -9.813
bonds (distance) P-C4' energy: -9.045
flat angles C4'-P-C4' energy: -10.499
flat angles P-C4'-P energy: -7.058
tors. eta vs tors. theta energy: -11.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -138.376077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.376077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.376077 (E_RNA)
where:
Base-Base interactions energy: -97.593
where: short stacking energy: -41.218
Base-Backbone interact. energy: 0.733
local terms energy: -41.516271
where:
bonds (distance) C4'-P energy: -9.787
bonds (distance) P-C4' energy: -10.165
flat angles C4'-P-C4' energy: -8.506
flat angles P-C4'-P energy: -3.203
tors. eta vs tors. theta energy: -9.855
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: 1
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -138.246745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.246745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.246745 (E_RNA)
where:
Base-Base interactions energy: -96.056
where: short stacking energy: -45.197
Base-Backbone interact. energy: -1.149
local terms energy: -41.041341
where:
bonds (distance) C4'-P energy: -8.836
bonds (distance) P-C4' energy: -6.533
flat angles C4'-P-C4' energy: -11.023
flat angles P-C4'-P energy: -4.485
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: 4, replica: 3
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -137.676431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.676431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.676431 (E_RNA)
where:
Base-Base interactions energy: -92.930
where: short stacking energy: -42.518
Base-Backbone interact. energy: -1.164
local terms energy: -43.582427
where:
bonds (distance) C4'-P energy: -8.782
bonds (distance) P-C4' energy: -7.668
flat angles C4'-P-C4' energy: -8.286
flat angles P-C4'-P energy: -8.207
tors. eta vs tors. theta energy: -10.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -134.078472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.078472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.078472 (E_RNA)
where:
Base-Base interactions energy: -93.970
where: short stacking energy: -43.417
Base-Backbone interact. energy: -0.995
local terms energy: -39.112832
where:
bonds (distance) C4'-P energy: -9.158
bonds (distance) P-C4' energy: -8.662
flat angles C4'-P-C4' energy: -6.601
flat angles P-C4'-P energy: -6.534
tors. eta vs tors. theta energy: -8.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -132.697327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.697327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.697327 (E_RNA)
where:
Base-Base interactions energy: -91.326
where: short stacking energy: -42.138
Base-Backbone interact. energy: -1.475
local terms energy: -39.896618
where:
bonds (distance) C4'-P energy: -7.412
bonds (distance) P-C4' energy: -10.441
flat angles C4'-P-C4' energy: -7.179
flat angles P-C4'-P energy: -7.447
tors. eta vs tors. theta energy: -7.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -131.343633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.343633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.343633 (E_RNA)
where:
Base-Base interactions energy: -93.692
where: short stacking energy: -39.029
Base-Backbone interact. energy: -0.006
local terms energy: -37.645842
where:
bonds (distance) C4'-P energy: -7.627
bonds (distance) P-C4' energy: -9.743
flat angles C4'-P-C4' energy: -9.524
flat angles P-C4'-P energy: -2.064
tors. eta vs tors. theta energy: -8.688
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: 2
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -70.845536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.845536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.845536 (E_RNA)
where:
Base-Base interactions energy: -32.673
where: short stacking energy: -28.711
Base-Backbone interact. energy: -0.070
local terms energy: -38.102908
where:
bonds (distance) C4'-P energy: -8.616
bonds (distance) P-C4' energy: -9.091
flat angles C4'-P-C4' energy: -7.623
flat angles P-C4'-P energy: -6.736
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: 9, replica: 9
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -129.193275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.193275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.193275 (E_RNA)
where:
Base-Base interactions energy: -94.903
where: short stacking energy: -40.266
Base-Backbone interact. energy: -0.562
local terms energy: -33.728653
where:
bonds (distance) C4'-P energy: -6.609
bonds (distance) P-C4' energy: -9.309
flat angles C4'-P-C4' energy: -9.282
flat angles P-C4'-P energy: -0.835
tors. eta vs tors. theta energy: -7.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -59.913662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.913662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.913662 (E_RNA)
where:
Base-Base interactions energy: -25.961
where: short stacking energy: -25.961
Base-Backbone interact. energy: -0.112
local terms energy: -33.840513
where:
bonds (distance) C4'-P energy: -6.368
bonds (distance) P-C4' energy: -6.739
flat angles C4'-P-C4' energy: -10.418
flat angles P-C4'-P energy: -6.199
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: 87
Temperature: 0.900000
Total energy: -143.416688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.416688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.416688 (E_RNA)
where:
Base-Base interactions energy: -95.547
where: short stacking energy: -46.517
Base-Backbone interact. energy: -1.886
local terms energy: -45.983529
where:
bonds (distance) C4'-P energy: -7.992
bonds (distance) P-C4' energy: -9.830
flat angles C4'-P-C4' energy: -10.241
flat angles P-C4'-P energy: -7.691
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: 2, replica: 1
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -144.092991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.092991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.092991 (E_RNA)
where:
Base-Base interactions energy: -99.089
where: short stacking energy: -45.309
Base-Backbone interact. energy: -0.001
local terms energy: -45.003107
where:
bonds (distance) C4'-P energy: -7.726
bonds (distance) P-C4' energy: -9.405
flat angles C4'-P-C4' energy: -9.874
flat angles P-C4'-P energy: -6.804
tors. eta vs tors. theta energy: -11.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -137.410061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.410061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.410061 (E_RNA)
where:
Base-Base interactions energy: -96.853
where: short stacking energy: -44.004
Base-Backbone interact. energy: -0.901
local terms energy: -39.656544
where:
bonds (distance) C4'-P energy: -7.515
bonds (distance) P-C4' energy: -8.625
flat angles C4'-P-C4' energy: -9.077
flat angles P-C4'-P energy: -6.633
tors. eta vs tors. theta energy: -7.806
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: 10
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -119.340700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.340700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.340700 (E_RNA)
where:
Base-Base interactions energy: -81.269
where: short stacking energy: -39.416
Base-Backbone interact. energy: -0.473
local terms energy: -37.598825
where:
bonds (distance) C4'-P energy: -7.433
bonds (distance) P-C4' energy: -6.400
flat angles C4'-P-C4' energy: -8.693
flat angles P-C4'-P energy: -5.157
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: 5, replica: 3
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -140.332323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.332323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.332323 (E_RNA)
where:
Base-Base interactions energy: -98.225
where: short stacking energy: -45.714
Base-Backbone interact. energy: -1.079
local terms energy: -41.028121
where:
bonds (distance) C4'-P energy: -8.640
bonds (distance) P-C4' energy: -6.852
flat angles C4'-P-C4' energy: -8.658
flat angles P-C4'-P energy: -6.485
tors. eta vs tors. theta energy: -10.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -133.203422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.203422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.203422 (E_RNA)
where:
Base-Base interactions energy: -87.624
where: short stacking energy: -41.079
Base-Backbone interact. energy: -1.108
local terms energy: -44.471520
where:
bonds (distance) C4'-P energy: -6.894
bonds (distance) P-C4' energy: -11.096
flat angles C4'-P-C4' energy: -10.563
flat angles P-C4'-P energy: -7.382
tors. eta vs tors. theta energy: -8.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -127.658488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.658488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.658488 (E_RNA)
where:
Base-Base interactions energy: -88.367
where: short stacking energy: -38.412
Base-Backbone interact. energy: -0.156
local terms energy: -39.135292
where:
bonds (distance) C4'-P energy: -7.713
bonds (distance) P-C4' energy: -9.889
flat angles C4'-P-C4' energy: -9.999
flat angles P-C4'-P energy: -4.263
tors. eta vs tors. theta energy: -7.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -131.095950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.095950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.095950 (E_RNA)
where:
Base-Base interactions energy: -89.262
where: short stacking energy: -44.028
Base-Backbone interact. energy: -0.058
local terms energy: -41.775715
where:
bonds (distance) C4'-P energy: -6.556
bonds (distance) P-C4' energy: -10.616
flat angles C4'-P-C4' energy: -7.890
flat angles P-C4'-P energy: -6.018
tors. eta vs tors. theta energy: -10.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -62.163867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.163867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.163867 (E_RNA)
where:
Base-Base interactions energy: -38.054
where: short stacking energy: -21.647
Base-Backbone interact. energy: -0.202
local terms energy: -23.908172
where:
bonds (distance) C4'-P energy: -9.787
bonds (distance) P-C4' energy: -10.180
flat angles C4'-P-C4' energy: -3.892
flat angles P-C4'-P energy: 0.428
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: 8
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -59.120768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.120768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.120768 (E_RNA)
where:
Base-Base interactions energy: -23.050
where: short stacking energy: -15.122
Base-Backbone interact. energy: -0.380
local terms energy: -35.690630
where:
bonds (distance) C4'-P energy: -9.573
bonds (distance) P-C4' energy: -9.781
flat angles C4'-P-C4' energy: -9.765
flat angles P-C4'-P energy: -7.465
tors. eta vs tors. theta energy: 0.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -142.126645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.126645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.126645 (E_RNA)
where:
Base-Base interactions energy: -95.400
where: short stacking energy: -44.899
Base-Backbone interact. energy: -1.263
local terms energy: -45.463026
where:
bonds (distance) C4'-P energy: -10.864
bonds (distance) P-C4' energy: -9.016
flat angles C4'-P-C4' energy: -9.297
flat angles P-C4'-P energy: -6.526
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: 2, replica: 7
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -144.252218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.252218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.252218 (E_RNA)
where:
Base-Base interactions energy: -97.038
where: short stacking energy: -44.987
Base-Backbone interact. energy: -0.662
local terms energy: -46.551460
where:
bonds (distance) C4'-P energy: -10.276
bonds (distance) P-C4' energy: -10.351
flat angles C4'-P-C4' energy: -9.624
flat angles P-C4'-P energy: -6.455
tors. eta vs tors. theta energy: -9.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -139.204552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.204552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.204552 (E_RNA)
where:
Base-Base interactions energy: -93.430
where: short stacking energy: -42.553
Base-Backbone interact. energy: -1.039
local terms energy: -44.735136
where:
bonds (distance) C4'-P energy: -7.850
bonds (distance) P-C4' energy: -10.302
flat angles C4'-P-C4' energy: -9.617
flat angles P-C4'-P energy: -6.433
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: 4, replica: 10
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -130.376578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.376578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.376578 (E_RNA)
where:
Base-Base interactions energy: -89.941
where: short stacking energy: -37.103
Base-Backbone interact. energy: -0.005
local terms energy: -40.431353
where:
bonds (distance) C4'-P energy: -9.166
bonds (distance) P-C4' energy: -7.957
flat angles C4'-P-C4' energy: -7.567
flat angles P-C4'-P energy: -5.358
tors. eta vs tors. theta energy: -10.384
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: 4
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -133.473177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.473177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.473177 (E_RNA)
where:
Base-Base interactions energy: -93.146
where: short stacking energy: -38.706
Base-Backbone interact. energy: -0.001
local terms energy: -40.326063
where:
bonds (distance) C4'-P energy: -9.118
bonds (distance) P-C4' energy: -8.742
flat angles C4'-P-C4' energy: -7.609
flat angles P-C4'-P energy: -5.461
tors. eta vs tors. theta energy: -9.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -133.774302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.774302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.774302 (E_RNA)
where:
Base-Base interactions energy: -87.336
where: short stacking energy: -39.045
Base-Backbone interact. energy: -1.292
local terms energy: -45.146557
where:
bonds (distance) C4'-P energy: -8.886
bonds (distance) P-C4' energy: -11.360
flat angles C4'-P-C4' energy: -9.309
flat angles P-C4'-P energy: -7.051
tors. eta vs tors. theta energy: -8.540
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: 9
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -127.538098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.538098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.538098 (E_RNA)
where:
Base-Base interactions energy: -92.424
where: short stacking energy: -32.066
Base-Backbone interact. energy: -0.338
local terms energy: -34.776187
where:
bonds (distance) C4'-P energy: -7.627
bonds (distance) P-C4' energy: -5.960
flat angles C4'-P-C4' energy: -7.846
flat angles P-C4'-P energy: -7.178
tors. eta vs tors. theta energy: -6.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -125.254883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.254883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.254883 (E_RNA)
where:
Base-Base interactions energy: -85.954
where: short stacking energy: -39.974
Base-Backbone interact. energy: -0.010
local terms energy: -39.291297
where:
bonds (distance) C4'-P energy: -7.727
bonds (distance) P-C4' energy: -9.408
flat angles C4'-P-C4' energy: -7.751
flat angles P-C4'-P energy: -5.077
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: 9, replica: 8
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -56.896439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.896439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.896439 (E_RNA)
where:
Base-Base interactions energy: -20.938
where: short stacking energy: -20.938
Base-Backbone interact. energy: -0.300
local terms energy: -35.658560
where:
bonds (distance) C4'-P energy: -9.272
bonds (distance) P-C4' energy: -9.732
flat angles C4'-P-C4' energy: -9.340
flat angles P-C4'-P energy: -6.780
tors. eta vs tors. theta energy: -0.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -56.338367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.338367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.338367 (E_RNA)
where:
Base-Base interactions energy: -19.935
where: short stacking energy: -19.935
Base-Backbone interact. energy: -0.321
local terms energy: -36.081945
where:
bonds (distance) C4'-P energy: -6.670
bonds (distance) P-C4' energy: -10.877
flat angles C4'-P-C4' energy: -7.066
flat angles P-C4'-P energy: -7.746
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: 1
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -144.315444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.315444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.315444 (E_RNA)
where:
Base-Base interactions energy: -96.389
where: short stacking energy: -46.229
Base-Backbone interact. energy: 0.428
local terms energy: -48.354356
where:
bonds (distance) C4'-P energy: -9.726
bonds (distance) P-C4' energy: -9.280
flat angles C4'-P-C4' energy: -11.187
flat angles P-C4'-P energy: -7.856
tors. eta vs tors. theta energy: -10.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -137.228439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.228439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.228439 (E_RNA)
where:
Base-Base interactions energy: -91.577
where: short stacking energy: -43.478
Base-Backbone interact. energy: -0.055
local terms energy: -45.596931
where:
bonds (distance) C4'-P energy: -8.852
bonds (distance) P-C4' energy: -10.637
flat angles C4'-P-C4' energy: -7.314
flat angles P-C4'-P energy: -7.152
tors. eta vs tors. theta energy: -11.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -137.357007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.357007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.357007 (E_RNA)
where:
Base-Base interactions energy: -94.661
where: short stacking energy: -44.932
Base-Backbone interact. energy: -0.135
local terms energy: -42.561761
where:
bonds (distance) C4'-P energy: -6.964
bonds (distance) P-C4' energy: -11.081
flat angles C4'-P-C4' energy: -8.992
flat angles P-C4'-P energy: -5.799
tors. eta vs tors. theta energy: -9.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -138.150671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.150671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.150671 (E_RNA)
where:
Base-Base interactions energy: -94.518
where: short stacking energy: -43.389
Base-Backbone interact. energy: -1.006
local terms energy: -42.626958
where:
bonds (distance) C4'-P energy: -7.792
bonds (distance) P-C4' energy: -8.886
flat angles C4'-P-C4' energy: -6.792
flat angles P-C4'-P energy: -7.920
tors. eta vs tors. theta energy: -11.237
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: 10
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -131.080067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.080067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.080067 (E_RNA)
where:
Base-Base interactions energy: -98.083
where: short stacking energy: -38.870
Base-Backbone interact. energy: 1.504
local terms energy: -34.500398
where:
bonds (distance) C4'-P energy: -10.037
bonds (distance) P-C4' energy: -6.471
flat angles C4'-P-C4' energy: -6.691
flat angles P-C4'-P energy: -1.851
tors. eta vs tors. theta energy: -9.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -130.382895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.382895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.382895 (E_RNA)
where:
Base-Base interactions energy: -89.229
where: short stacking energy: -41.705
Base-Backbone interact. energy: -0.128
local terms energy: -41.026320
where:
bonds (distance) C4'-P energy: -8.712
bonds (distance) P-C4' energy: -8.622
flat angles C4'-P-C4' energy: -9.170
flat angles P-C4'-P energy: -7.147
tors. eta vs tors. theta energy: -7.376
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: 3
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -137.850030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.850030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.850030 (E_RNA)
where:
Base-Base interactions energy: -93.171
where: short stacking energy: -41.713
Base-Backbone interact. energy: -1.473
local terms energy: -43.205248
where:
bonds (distance) C4'-P energy: -7.801
bonds (distance) P-C4' energy: -10.902
flat angles C4'-P-C4' energy: -9.690
flat angles P-C4'-P energy: -5.641
tors. eta vs tors. theta energy: -9.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -127.140516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.140516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.140516 (E_RNA)
where:
Base-Base interactions energy: -83.796
where: short stacking energy: -40.296
Base-Backbone interact. energy: -0.006
local terms energy: -43.339245
where:
bonds (distance) C4'-P energy: -9.627
bonds (distance) P-C4' energy: -8.396
flat angles C4'-P-C4' energy: -6.985
flat angles P-C4'-P energy: -7.573
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: 9, replica: 8
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -66.578117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.578117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.578117 (E_RNA)
where:
Base-Base interactions energy: -39.607
where: short stacking energy: -31.809
Base-Backbone interact. energy: -0.007
local terms energy: -26.963980
where:
bonds (distance) C4'-P energy: -5.652
bonds (distance) P-C4' energy: -7.417
flat angles C4'-P-C4' energy: -7.875
flat angles P-C4'-P energy: -3.928
tors. eta vs tors. theta energy: -2.092
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: 89
Temperature: 1.350000
Total energy: -58.548406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.548406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.548406 (E_RNA)
where:
Base-Base interactions energy: -24.135
where: short stacking energy: -24.135
Base-Backbone interact. energy: -0.036
local terms energy: -34.377553
where:
bonds (distance) C4'-P energy: -6.683
bonds (distance) P-C4' energy: -9.531
flat angles C4'-P-C4' energy: -5.536
flat angles P-C4'-P energy: -7.501
tors. eta vs tors. theta energy: -5.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -143.621362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.621362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.621362 (E_RNA)
where:
Base-Base interactions energy: -95.836
where: short stacking energy: -46.740
Base-Backbone interact. energy: -1.416
local terms energy: -46.369154
where:
bonds (distance) C4'-P energy: -10.053
bonds (distance) P-C4' energy: -9.178
flat angles C4'-P-C4' energy: -8.967
flat angles P-C4'-P energy: -8.847
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: 2, replica: 1
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -137.377880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.377880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.377880 (E_RNA)
where:
Base-Base interactions energy: -96.622
where: short stacking energy: -44.737
Base-Backbone interact. energy: -0.283
local terms energy: -40.473086
where:
bonds (distance) C4'-P energy: -5.247
bonds (distance) P-C4' energy: -8.146
flat angles C4'-P-C4' energy: -9.539
flat angles P-C4'-P energy: -4.961
tors. eta vs tors. theta energy: -12.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -134.844832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.844832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.844832 (E_RNA)
where:
Base-Base interactions energy: -95.585
where: short stacking energy: -38.661
Base-Backbone interact. energy: -0.045
local terms energy: -39.215200
where:
bonds (distance) C4'-P energy: -6.393
bonds (distance) P-C4' energy: -8.868
flat angles C4'-P-C4' energy: -8.419
flat angles P-C4'-P energy: -6.898
tors. eta vs tors. theta energy: -8.637
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: 7
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -138.784573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.784573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.784573 (E_RNA)
where:
Base-Base interactions energy: -94.650
where: short stacking energy: -45.886
Base-Backbone interact. energy: -0.993
local terms energy: -43.141248
where:
bonds (distance) C4'-P energy: -6.555
bonds (distance) P-C4' energy: -9.954
flat angles C4'-P-C4' energy: -7.470
flat angles P-C4'-P energy: -6.998
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: 9
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -134.725715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.725715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.725715 (E_RNA)
where:
Base-Base interactions energy: -90.183
where: short stacking energy: -37.924
Base-Backbone interact. energy: -1.289
local terms energy: -43.253778
where:
bonds (distance) C4'-P energy: -5.665
bonds (distance) P-C4' energy: -10.143
flat angles C4'-P-C4' energy: -8.881
flat angles P-C4'-P energy: -9.142
tors. eta vs tors. theta energy: -9.422
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: 10
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -139.063949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.063949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.063949 (E_RNA)
where:
Base-Base interactions energy: -96.256
where: short stacking energy: -43.732
Base-Backbone interact. energy: -0.678
local terms energy: -42.129861
where:
bonds (distance) C4'-P energy: -8.268
bonds (distance) P-C4' energy: -8.236
flat angles C4'-P-C4' energy: -5.209
flat angles P-C4'-P energy: -9.388
tors. eta vs tors. theta energy: -11.028
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: 6
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -125.271256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.271256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.271256 (E_RNA)
where:
Base-Base interactions energy: -83.415
where: short stacking energy: -33.037
Base-Backbone interact. energy: 0.815
local terms energy: -42.670967
where:
bonds (distance) C4'-P energy: -9.635
bonds (distance) P-C4' energy: -10.118
flat angles C4'-P-C4' energy: -10.008
flat angles P-C4'-P energy: -6.943
tors. eta vs tors. theta energy: -5.966
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: 3
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -132.133407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.133407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.133407 (E_RNA)
where:
Base-Base interactions energy: -94.202
where: short stacking energy: -33.367
Base-Backbone interact. energy: -0.003
local terms energy: -37.928289
where:
bonds (distance) C4'-P energy: -7.966
bonds (distance) P-C4' energy: -10.416
flat angles C4'-P-C4' energy: -8.889
flat angles P-C4'-P energy: -2.573
tors. eta vs tors. theta energy: -8.084
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: 2
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -65.137008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.137008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.137008 (E_RNA)
where:
Base-Base interactions energy: -32.557
where: short stacking energy: -32.557
Base-Backbone interact. energy: -0.001
local terms energy: -32.579718
where:
bonds (distance) C4'-P energy: -7.106
bonds (distance) P-C4' energy: -10.348
flat angles C4'-P-C4' energy: -9.171
flat angles P-C4'-P energy: -1.079
tors. eta vs tors. theta energy: -4.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -56.759391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.759391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.759391 (E_RNA)
where:
Base-Base interactions energy: -27.830
where: short stacking energy: -27.377
Base-Backbone interact. energy: -0.528
local terms energy: -28.401262
where:
bonds (distance) C4'-P energy: -3.711
bonds (distance) P-C4' energy: -7.484
flat angles C4'-P-C4' energy: -8.217
flat angles P-C4'-P energy: -7.342
tors. eta vs tors. theta energy: -1.647
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: 5
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -145.519997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.519997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.519997 (E_RNA)
where:
Base-Base interactions energy: -98.496
where: short stacking energy: -44.697
Base-Backbone interact. energy: -1.398
local terms energy: -45.625688
where:
bonds (distance) C4'-P energy: -9.458
bonds (distance) P-C4' energy: -10.641
flat angles C4'-P-C4' energy: -8.315
flat angles P-C4'-P energy: -6.675
tors. eta vs tors. theta energy: -10.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -138.814656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.814656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.814656 (E_RNA)
where:
Base-Base interactions energy: -93.854
where: short stacking energy: -44.156
Base-Backbone interact. energy: -0.057
local terms energy: -44.903698
where:
bonds (distance) C4'-P energy: -8.862
bonds (distance) P-C4' energy: -10.073
flat angles C4'-P-C4' energy: -10.376
flat angles P-C4'-P energy: -6.626
tors. eta vs tors. theta energy: -8.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -139.121533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.121533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.121533 (E_RNA)
where:
Base-Base interactions energy: -94.663
where: short stacking energy: -45.112
Base-Backbone interact. energy: -1.010
local terms energy: -43.448393
where:
bonds (distance) C4'-P energy: -7.867
bonds (distance) P-C4' energy: -9.566
flat angles C4'-P-C4' energy: -6.932
flat angles P-C4'-P energy: -7.846
tors. eta vs tors. theta energy: -11.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -134.204755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.204755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.204755 (E_RNA)
where:
Base-Base interactions energy: -94.021
where: short stacking energy: -43.090
Base-Backbone interact. energy: -0.028
local terms energy: -40.155671
where:
bonds (distance) C4'-P energy: -9.266
bonds (distance) P-C4' energy: -9.395
flat angles C4'-P-C4' energy: -7.362
flat angles P-C4'-P energy: -5.966
tors. eta vs tors. theta energy: -8.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -133.500705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.500705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.500705 (E_RNA)
where:
Base-Base interactions energy: -89.518
where: short stacking energy: -40.672
Base-Backbone interact. energy: -1.308
local terms energy: -42.675060
where:
bonds (distance) C4'-P energy: -9.242
bonds (distance) P-C4' energy: -8.967
flat angles C4'-P-C4' energy: -8.864
flat angles P-C4'-P energy: -7.975
tors. eta vs tors. theta energy: -7.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -122.670609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.670609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.670609 (E_RNA)
where:
Base-Base interactions energy: -81.938
where: short stacking energy: -30.891
Base-Backbone interact. energy: -0.013
local terms energy: -40.719610
where:
bonds (distance) C4'-P energy: -8.509
bonds (distance) P-C4' energy: -10.595
flat angles C4'-P-C4' energy: -9.716
flat angles P-C4'-P energy: -7.015
tors. eta vs tors. theta energy: -4.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -128.903325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.903325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.903325 (E_RNA)
where:
Base-Base interactions energy: -85.120
where: short stacking energy: -41.779
Base-Backbone interact. energy: -0.005
local terms energy: -43.778881
where:
bonds (distance) C4'-P energy: -8.261
bonds (distance) P-C4' energy: -9.355
flat angles C4'-P-C4' energy: -9.699
flat angles P-C4'-P energy: -6.845
tors. eta vs tors. theta energy: -9.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -123.268327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.268327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.268327 (E_RNA)
where:
Base-Base interactions energy: -83.254
where: short stacking energy: -37.379
Base-Backbone interact. energy: -0.742
local terms energy: -39.272494
where:
bonds (distance) C4'-P energy: -8.330
bonds (distance) P-C4' energy: -6.457
flat angles C4'-P-C4' energy: -10.306
flat angles P-C4'-P energy: -6.429
tors. eta vs tors. theta energy: -7.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -62.859336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.859336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.859336 (E_RNA)
where:
Base-Base interactions energy: -28.298
where: short stacking energy: -28.298
Base-Backbone interact. energy: -0.000
local terms energy: -34.561108
where:
bonds (distance) C4'-P energy: -7.664
bonds (distance) P-C4' energy: -7.445
flat angles C4'-P-C4' energy: -8.048
flat angles P-C4'-P energy: -7.667
tors. eta vs tors. theta energy: -3.737
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: 8
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -61.581266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.581266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.581266 (E_RNA)
where:
Base-Base interactions energy: -33.691
where: short stacking energy: -24.579
Base-Backbone interact. energy: -0.103
local terms energy: -27.787316
where:
bonds (distance) C4'-P energy: -9.991
bonds (distance) P-C4' energy: -8.551
flat angles C4'-P-C4' energy: -5.076
flat angles P-C4'-P energy: -4.503
tors. eta vs tors. theta energy: 0.334
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: 92
Temperature: 0.900000
Total energy: -140.193807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.193807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.193807 (E_RNA)
where:
Base-Base interactions energy: -97.522
where: short stacking energy: -46.015
Base-Backbone interact. energy: -0.006
local terms energy: -42.665839
where:
bonds (distance) C4'-P energy: -7.805
bonds (distance) P-C4' energy: -10.419
flat angles C4'-P-C4' energy: -8.085
flat angles P-C4'-P energy: -4.907
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: 2, replica: 5
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -145.632250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.632250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.632250 (E_RNA)
where:
Base-Base interactions energy: -97.282
where: short stacking energy: -44.227
Base-Backbone interact. energy: -0.710
local terms energy: -47.640161
where:
bonds (distance) C4'-P energy: -7.148
bonds (distance) P-C4' energy: -11.113
flat angles C4'-P-C4' energy: -10.580
flat angles P-C4'-P energy: -8.450
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: 3, replica: 9
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -135.681799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.681799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.681799 (E_RNA)
where:
Base-Base interactions energy: -94.074
where: short stacking energy: -37.840
Base-Backbone interact. energy: -1.270
local terms energy: -40.337985
where:
bonds (distance) C4'-P energy: -10.123
bonds (distance) P-C4' energy: -8.988
flat angles C4'-P-C4' energy: -8.190
flat angles P-C4'-P energy: -4.976
tors. eta vs tors. theta energy: -8.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -131.160551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.160551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.160551 (E_RNA)
where:
Base-Base interactions energy: -89.047
where: short stacking energy: -37.650
Base-Backbone interact. energy: -0.520
local terms energy: -41.593896
where:
bonds (distance) C4'-P energy: -8.916
bonds (distance) P-C4' energy: -10.211
flat angles C4'-P-C4' energy: -7.896
flat angles P-C4'-P energy: -6.700
tors. eta vs tors. theta energy: -7.872
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: 6
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -127.385091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.385091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.385091 (E_RNA)
where:
Base-Base interactions energy: -81.257
where: short stacking energy: -39.196
Base-Backbone interact. energy: -0.002
local terms energy: -46.125796
where:
bonds (distance) C4'-P energy: -9.262
bonds (distance) P-C4' energy: -9.827
flat angles C4'-P-C4' energy: -10.136
flat angles P-C4'-P energy: -6.264
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: 6, replica: 7
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -131.659666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.659666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.659666 (E_RNA)
where:
Base-Base interactions energy: -93.346
where: short stacking energy: -40.730
Base-Backbone interact. energy: -0.000
local terms energy: -38.313375
where:
bonds (distance) C4'-P energy: -7.064
bonds (distance) P-C4' energy: -10.140
flat angles C4'-P-C4' energy: -6.803
flat angles P-C4'-P energy: -4.934
tors. eta vs tors. theta energy: -9.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -139.471888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.471888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.471888 (E_RNA)
where:
Base-Base interactions energy: -108.515
where: short stacking energy: -42.879
Base-Backbone interact. energy: -0.023
local terms energy: -30.934188
where:
bonds (distance) C4'-P energy: -4.585
bonds (distance) P-C4' energy: -9.144
flat angles C4'-P-C4' energy: -7.919
flat angles P-C4'-P energy: -0.783
tors. eta vs tors. theta energy: -8.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -126.998352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.998352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.998352 (E_RNA)
where:
Base-Base interactions energy: -87.281
where: short stacking energy: -40.299
Base-Backbone interact. energy: -0.422
local terms energy: -39.296088
where:
bonds (distance) C4'-P energy: -8.803
bonds (distance) P-C4' energy: -5.735
flat angles C4'-P-C4' energy: -9.148
flat angles P-C4'-P energy: -6.221
tors. eta vs tors. theta energy: -9.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -63.500749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.500749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.500749 (E_RNA)
where:
Base-Base interactions energy: -33.601
where: short stacking energy: -33.601
Base-Backbone interact. energy: -0.343
local terms energy: -29.557342
where:
bonds (distance) C4'-P energy: -7.326
bonds (distance) P-C4' energy: -9.116
flat angles C4'-P-C4' energy: -6.531
flat angles P-C4'-P energy: -3.896
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: 10, replica: 2
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -59.738652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.738652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.738652 (E_RNA)
where:
Base-Base interactions energy: -32.075
where: short stacking energy: -24.445
Base-Backbone interact. energy: -0.011
local terms energy: -27.652393
where:
bonds (distance) C4'-P energy: -6.724
bonds (distance) P-C4' energy: -6.849
flat angles C4'-P-C4' energy: -7.675
flat angles P-C4'-P energy: -6.921
tors. eta vs tors. theta energy: 0.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -146.631832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.631832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.631832 (E_RNA)
where:
Base-Base interactions energy: -97.966
where: short stacking energy: -46.281
Base-Backbone interact. energy: -1.100
local terms energy: -47.565773
where:
bonds (distance) C4'-P energy: -9.113
bonds (distance) P-C4' energy: -10.223
flat angles C4'-P-C4' energy: -10.470
flat angles P-C4'-P energy: -7.188
tors. eta vs tors. theta energy: -10.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -144.533506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.533506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.533506 (E_RNA)
where:
Base-Base interactions energy: -97.755
where: short stacking energy: -45.452
Base-Backbone interact. energy: -1.741
local terms energy: -45.037887
where:
bonds (distance) C4'-P energy: -9.557
bonds (distance) P-C4' energy: -8.802
flat angles C4'-P-C4' energy: -8.674
flat angles P-C4'-P energy: -7.582
tors. eta vs tors. theta energy: -10.423
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: 9
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -134.942655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.942655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.942655 (E_RNA)
where:
Base-Base interactions energy: -92.856
where: short stacking energy: -41.563
Base-Backbone interact. energy: -0.049
local terms energy: -42.036917
where:
bonds (distance) C4'-P energy: -9.601
bonds (distance) P-C4' energy: -9.729
flat angles C4'-P-C4' energy: -6.473
flat angles P-C4'-P energy: -6.885
tors. eta vs tors. theta energy: -9.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -138.699841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.699841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.699841 (E_RNA)
where:
Base-Base interactions energy: -91.500
where: short stacking energy: -42.386
Base-Backbone interact. energy: -1.485
local terms energy: -45.715030
where:
bonds (distance) C4'-P energy: -9.415
bonds (distance) P-C4' energy: -8.893
flat angles C4'-P-C4' energy: -7.822
flat angles P-C4'-P energy: -8.757
tors. eta vs tors. theta energy: -10.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -130.025654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.025654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.025654 (E_RNA)
where:
Base-Base interactions energy: -92.035
where: short stacking energy: -41.346
Base-Backbone interact. energy: -1.158
local terms energy: -36.832344
where:
bonds (distance) C4'-P energy: -5.212
bonds (distance) P-C4' energy: -9.327
flat angles C4'-P-C4' energy: -6.229
flat angles P-C4'-P energy: -7.704
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: 6, replica: 3
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -136.931066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.931066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.931066 (E_RNA)
where:
Base-Base interactions energy: -101.867
where: short stacking energy: -37.392
Base-Backbone interact. energy: -0.000
local terms energy: -35.063597
where:
bonds (distance) C4'-P energy: -9.779
bonds (distance) P-C4' energy: -8.708
flat angles C4'-P-C4' energy: -9.043
flat angles P-C4'-P energy: -2.196
tors. eta vs tors. theta energy: -5.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -134.978855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.978855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.978855 (E_RNA)
where:
Base-Base interactions energy: -90.727
where: short stacking energy: -42.233
Base-Backbone interact. energy: -0.049
local terms energy: -44.203363
where:
bonds (distance) C4'-P energy: -6.766
bonds (distance) P-C4' energy: -11.597
flat angles C4'-P-C4' energy: -9.254
flat angles P-C4'-P energy: -6.108
tors. eta vs tors. theta energy: -10.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -128.855492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.855492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.855492 (E_RNA)
where:
Base-Base interactions energy: -87.502
where: short stacking energy: -36.956
Base-Backbone interact. energy: 0.500
local terms energy: -41.853251
where:
bonds (distance) C4'-P energy: -9.701
bonds (distance) P-C4' energy: -7.730
flat angles C4'-P-C4' energy: -8.703
flat angles P-C4'-P energy: -6.733
tors. eta vs tors. theta energy: -8.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -66.751710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.751710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.751710 (E_RNA)
where:
Base-Base interactions energy: -29.631
where: short stacking energy: -29.631
Base-Backbone interact. energy: -0.160
local terms energy: -36.960005
where:
bonds (distance) C4'-P energy: -7.105
bonds (distance) P-C4' energy: -10.448
flat angles C4'-P-C4' energy: -9.318
flat angles P-C4'-P energy: -3.873
tors. eta vs tors. theta energy: -6.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -59.572654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.572654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.572654 (E_RNA)
where:
Base-Base interactions energy: -29.155
where: short stacking energy: -25.925
Base-Backbone interact. energy: 0.265
local terms energy: -30.683087
where:
bonds (distance) C4'-P energy: -7.787
bonds (distance) P-C4' energy: -7.227
flat angles C4'-P-C4' energy: -3.559
flat angles P-C4'-P energy: -8.545
tors. eta vs tors. theta energy: -3.564
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: 94
Temperature: 0.900000
Total energy: -142.683437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.683437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.683437 (E_RNA)
where:
Base-Base interactions energy: -95.300
where: short stacking energy: -42.042
Base-Backbone interact. energy: -1.175
local terms energy: -46.208750
where:
bonds (distance) C4'-P energy: -10.161
bonds (distance) P-C4' energy: -9.972
flat angles C4'-P-C4' energy: -8.640
flat angles P-C4'-P energy: -9.178
tors. eta vs tors. theta energy: -8.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -142.453261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.453261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.453261 (E_RNA)
where:
Base-Base interactions energy: -95.886
where: short stacking energy: -45.147
Base-Backbone interact. energy: -1.481
local terms energy: -45.085541
where:
bonds (distance) C4'-P energy: -9.274
bonds (distance) P-C4' energy: -9.546
flat angles C4'-P-C4' energy: -6.886
flat angles P-C4'-P energy: -7.827
tors. eta vs tors. theta energy: -11.552
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: 3, replica: 6
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -139.366590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.366590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.366590 (E_RNA)
where:
Base-Base interactions energy: -93.371
where: short stacking energy: -43.599
Base-Backbone interact. energy: -0.126
local terms energy: -45.869165
where:
bonds (distance) C4'-P energy: -9.543
bonds (distance) P-C4' energy: -10.870
flat angles C4'-P-C4' energy: -7.323
flat angles P-C4'-P energy: -6.540
tors. eta vs tors. theta energy: -11.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -137.635077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.635077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.635077 (E_RNA)
where:
Base-Base interactions energy: -94.089
where: short stacking energy: -44.963
Base-Backbone interact. energy: -0.695
local terms energy: -42.851493
where:
bonds (distance) C4'-P energy: -6.779
bonds (distance) P-C4' energy: -9.644
flat angles C4'-P-C4' energy: -9.774
flat angles P-C4'-P energy: -7.991
tors. eta vs tors. theta energy: -8.664
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: 3
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -136.389837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.389837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.389837 (E_RNA)
where:
Base-Base interactions energy: -106.601
where: short stacking energy: -41.405
Base-Backbone interact. energy: -0.158
local terms energy: -29.630648
where:
bonds (distance) C4'-P energy: -5.213
bonds (distance) P-C4' energy: -5.756
flat angles C4'-P-C4' energy: -9.362
flat angles P-C4'-P energy: -2.169
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: 6, replica: 1
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -132.604744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.604744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.604744 (E_RNA)
where:
Base-Base interactions energy: -92.095
where: short stacking energy: -42.627
Base-Backbone interact. energy: -0.785
local terms energy: -39.724596
where:
bonds (distance) C4'-P energy: -6.990
bonds (distance) P-C4' energy: -8.565
flat angles C4'-P-C4' energy: -7.969
flat angles P-C4'-P energy: -7.030
tors. eta vs tors. theta energy: -9.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -132.402325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.402325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.402325 (E_RNA)
where:
Base-Base interactions energy: -95.142
where: short stacking energy: -42.088
Base-Backbone interact. energy: -0.027
local terms energy: -37.233182
where:
bonds (distance) C4'-P energy: -7.576
bonds (distance) P-C4' energy: -6.301
flat angles C4'-P-C4' energy: -10.204
flat angles P-C4'-P energy: -3.453
tors. eta vs tors. theta energy: -9.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -120.600443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.600443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.600443 (E_RNA)
where:
Base-Base interactions energy: -87.855
where: short stacking energy: -40.154
Base-Backbone interact. energy: -0.005
local terms energy: -32.740253
where:
bonds (distance) C4'-P energy: -5.169
bonds (distance) P-C4' energy: -7.494
flat angles C4'-P-C4' energy: -9.756
flat angles P-C4'-P energy: -3.585
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: 9, replica: 2
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -63.037535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.037535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.037535 (E_RNA)
where:
Base-Base interactions energy: -31.427
where: short stacking energy: -20.491
Base-Backbone interact. energy: -0.142
local terms energy: -31.468926
where:
bonds (distance) C4'-P energy: -7.433
bonds (distance) P-C4' energy: -10.891
flat angles C4'-P-C4' energy: -6.740
flat angles P-C4'-P energy: -5.266
tors. eta vs tors. theta energy: -1.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -68.907894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.907894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.907894 (E_RNA)
where:
Base-Base interactions energy: -32.374
where: short stacking energy: -32.374
Base-Backbone interact. energy: -0.072
local terms energy: -36.461424
where:
bonds (distance) C4'-P energy: -7.536
bonds (distance) P-C4' energy: -10.223
flat angles C4'-P-C4' energy: -8.239
flat angles P-C4'-P energy: -3.522
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: 1, replica: 4
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -140.885290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.885290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.885290 (E_RNA)
where:
Base-Base interactions energy: -95.878
where: short stacking energy: -44.253
Base-Backbone interact. energy: -0.443
local terms energy: -44.563954
where:
bonds (distance) C4'-P energy: -9.092
bonds (distance) P-C4' energy: -9.181
flat angles C4'-P-C4' energy: -10.039
flat angles P-C4'-P energy: -6.306
tors. eta vs tors. theta energy: -9.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -137.362231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.362231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.362231 (E_RNA)
where:
Base-Base interactions energy: -93.173
where: short stacking energy: -45.664
Base-Backbone interact. energy: -0.257
local terms energy: -43.932953
where:
bonds (distance) C4'-P energy: -9.386
bonds (distance) P-C4' energy: -7.910
flat angles C4'-P-C4' energy: -7.785
flat angles P-C4'-P energy: -7.433
tors. eta vs tors. theta energy: -11.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -139.892765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.892765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.892765 (E_RNA)
where:
Base-Base interactions energy: -95.841
where: short stacking energy: -43.846
Base-Backbone interact. energy: -0.635
local terms energy: -43.417181
where:
bonds (distance) C4'-P energy: -9.093
bonds (distance) P-C4' energy: -10.877
flat angles C4'-P-C4' energy: -9.015
flat angles P-C4'-P energy: -5.213
tors. eta vs tors. theta energy: -9.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -134.420481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.420481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.420481 (E_RNA)
where:
Base-Base interactions energy: -96.585
where: short stacking energy: -39.648
Base-Backbone interact. energy: -0.045
local terms energy: -37.790660
where:
bonds (distance) C4'-P energy: -6.713
bonds (distance) P-C4' energy: -9.239
flat angles C4'-P-C4' energy: -7.816
flat angles P-C4'-P energy: -4.429
tors. eta vs tors. theta energy: -9.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -132.939867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.939867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.939867 (E_RNA)
where:
Base-Base interactions energy: -87.538
where: short stacking energy: -38.059
Base-Backbone interact. energy: -0.587
local terms energy: -44.814612
where:
bonds (distance) C4'-P energy: -10.338
bonds (distance) P-C4' energy: -10.867
flat angles C4'-P-C4' energy: -8.138
flat angles P-C4'-P energy: -5.979
tors. eta vs tors. theta energy: -9.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -136.702896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.702896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.702896 (E_RNA)
where:
Base-Base interactions energy: -92.426
where: short stacking energy: -37.627
Base-Backbone interact. energy: -0.159
local terms energy: -44.118420
where:
bonds (distance) C4'-P energy: -10.169
bonds (distance) P-C4' energy: -8.883
flat angles C4'-P-C4' energy: -10.456
flat angles P-C4'-P energy: -7.739
tors. eta vs tors. theta energy: -6.872
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: 10
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -129.883404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.883404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.883404 (E_RNA)
where:
Base-Base interactions energy: -89.774
where: short stacking energy: -43.458
Base-Backbone interact. energy: -0.962
local terms energy: -39.147479
where:
bonds (distance) C4'-P energy: -9.817
bonds (distance) P-C4' energy: -8.103
flat angles C4'-P-C4' energy: -6.031
flat angles P-C4'-P energy: -6.898
tors. eta vs tors. theta energy: -8.299
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: 7
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -124.289961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.289961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.289961 (E_RNA)
where:
Base-Base interactions energy: -80.238
where: short stacking energy: -36.445
Base-Backbone interact. energy: -1.151
local terms energy: -42.900920
where:
bonds (distance) C4'-P energy: -9.084
bonds (distance) P-C4' energy: -9.982
flat angles C4'-P-C4' energy: -7.966
flat angles P-C4'-P energy: -9.521
tors. eta vs tors. theta energy: -6.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -65.287806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.287806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.287806 (E_RNA)
where:
Base-Base interactions energy: -35.560
where: short stacking energy: -13.892
Base-Backbone interact. energy: -0.144
local terms energy: -29.584038
where:
bonds (distance) C4'-P energy: -8.596
bonds (distance) P-C4' energy: -8.429
flat angles C4'-P-C4' energy: -6.333
flat angles P-C4'-P energy: -5.049
tors. eta vs tors. theta energy: -1.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -62.732217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.732217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.732217 (E_RNA)
where:
Base-Base interactions energy: -31.252
where: short stacking energy: -31.252
Base-Backbone interact. energy: -0.099
local terms energy: -31.380940
where:
bonds (distance) C4'-P energy: -9.258
bonds (distance) P-C4' energy: -4.854
flat angles C4'-P-C4' energy: -6.286
flat angles P-C4'-P energy: -5.606
tors. eta vs tors. theta energy: -5.377
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: 1, replica: 6
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -139.981036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.981036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.981036 (E_RNA)
where:
Base-Base interactions energy: -96.061
where: short stacking energy: -41.101
Base-Backbone interact. energy: -0.047
local terms energy: -43.873400
where:
bonds (distance) C4'-P energy: -9.068
bonds (distance) P-C4' energy: -9.833
flat angles C4'-P-C4' energy: -10.061
flat angles P-C4'-P energy: -4.407
tors. eta vs tors. theta energy: -10.504
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: 4
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -136.803041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.803041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.803041 (E_RNA)
where:
Base-Base interactions energy: -95.092
where: short stacking energy: -44.238
Base-Backbone interact. energy: -0.005
local terms energy: -41.706403
where:
bonds (distance) C4'-P energy: -8.252
bonds (distance) P-C4' energy: -9.891
flat angles C4'-P-C4' energy: -8.011
flat angles P-C4'-P energy: -5.299
tors. eta vs tors. theta energy: -10.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -139.550662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.550662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.550662 (E_RNA)
where:
Base-Base interactions energy: -93.339
where: short stacking energy: -42.819
Base-Backbone interact. energy: -0.001
local terms energy: -46.210486
where:
bonds (distance) C4'-P energy: -9.759
bonds (distance) P-C4' energy: -9.147
flat angles C4'-P-C4' energy: -8.653
flat angles P-C4'-P energy: -8.197
tors. eta vs tors. theta energy: -10.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -128.783201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.783201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.783201 (E_RNA)
where:
Base-Base interactions energy: -85.581
where: short stacking energy: -40.411
Base-Backbone interact. energy: -0.001
local terms energy: -43.202101
where:
bonds (distance) C4'-P energy: -9.705
bonds (distance) P-C4' energy: -10.376
flat angles C4'-P-C4' energy: -9.621
flat angles P-C4'-P energy: -6.306
tors. eta vs tors. theta energy: -7.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -139.690067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.690067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.690067 (E_RNA)
where:
Base-Base interactions energy: -94.626
where: short stacking energy: -41.258
Base-Backbone interact. energy: -0.712
local terms energy: -44.351713
where:
bonds (distance) C4'-P energy: -9.466
bonds (distance) P-C4' energy: -11.134
flat angles C4'-P-C4' energy: -7.504
flat angles P-C4'-P energy: -8.604
tors. eta vs tors. theta energy: -7.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -113.120665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.120665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.120665 (E_RNA)
where:
Base-Base interactions energy: -79.270
where: short stacking energy: -36.290
Base-Backbone interact. energy: -0.244
local terms energy: -33.607364
where:
bonds (distance) C4'-P energy: -5.859
bonds (distance) P-C4' energy: -7.879
flat angles C4'-P-C4' energy: -6.804
flat angles P-C4'-P energy: -4.375
tors. eta vs tors. theta energy: -8.691
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: 7
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -124.508058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.508058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.508058 (E_RNA)
where:
Base-Base interactions energy: -84.398
where: short stacking energy: -38.586
Base-Backbone interact. energy: -1.535
local terms energy: -38.574471
where:
bonds (distance) C4'-P energy: -6.940
bonds (distance) P-C4' energy: -7.960
flat angles C4'-P-C4' energy: -8.394
flat angles P-C4'-P energy: -7.371
tors. eta vs tors. theta energy: -7.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -131.186888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.186888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.186888 (E_RNA)
where:
Base-Base interactions energy: -91.064
where: short stacking energy: -42.098
Base-Backbone interact. energy: -0.389
local terms energy: -39.733647
where:
bonds (distance) C4'-P energy: -5.263
bonds (distance) P-C4' energy: -9.453
flat angles C4'-P-C4' energy: -9.063
flat angles P-C4'-P energy: -6.657
tors. eta vs tors. theta energy: -9.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -67.533359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.533359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.533359 (E_RNA)
where:
Base-Base interactions energy: -40.035
where: short stacking energy: -23.656
Base-Backbone interact. energy: 0.467
local terms energy: -27.965235
where:
bonds (distance) C4'-P energy: -7.751
bonds (distance) P-C4' energy: -9.045
flat angles C4'-P-C4' energy: -2.388
flat angles P-C4'-P energy: -6.536
tors. eta vs tors. theta energy: -2.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -56.944971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.944971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.944971 (E_RNA)
where:
Base-Base interactions energy: -22.407
where: short stacking energy: -18.847
Base-Backbone interact. energy: -0.397
local terms energy: -34.141743
where:
bonds (distance) C4'-P energy: -8.377
bonds (distance) P-C4' energy: -8.395
flat angles C4'-P-C4' energy: -9.472
flat angles P-C4'-P energy: -4.231
tors. eta vs tors. theta energy: -3.666
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: 6
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -142.157359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.157359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.157359 (E_RNA)
where:
Base-Base interactions energy: -96.816
where: short stacking energy: -46.500
Base-Backbone interact. energy: -0.903
local terms energy: -44.438220
where:
bonds (distance) C4'-P energy: -9.146
bonds (distance) P-C4' energy: -8.570
flat angles C4'-P-C4' energy: -10.693
flat angles P-C4'-P energy: -7.580
tors. eta vs tors. theta energy: -8.450
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: 97
Temperature: 0.950000
Total energy: -135.115029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.115029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.115029 (E_RNA)
where:
Base-Base interactions energy: -99.995
where: short stacking energy: -39.882
Base-Backbone interact. energy: -0.005
local terms energy: -35.114863
where:
bonds (distance) C4'-P energy: -6.682
bonds (distance) P-C4' energy: -10.584
flat angles C4'-P-C4' energy: -8.812
flat angles P-C4'-P energy: -2.046
tors. eta vs tors. theta energy: -6.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -128.719668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.719668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.719668 (E_RNA)
where:
Base-Base interactions energy: -91.580
where: short stacking energy: -39.731
Base-Backbone interact. energy: -0.079
local terms energy: -37.060357
where:
bonds (distance) C4'-P energy: -7.321
bonds (distance) P-C4' energy: -9.604
flat angles C4'-P-C4' energy: -8.167
flat angles P-C4'-P energy: -5.192
tors. eta vs tors. theta energy: -6.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -137.487577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.487577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.487577 (E_RNA)
where:
Base-Base interactions energy: -94.584
where: short stacking energy: -44.948
Base-Backbone interact. energy: -1.072
local terms energy: -41.831644
where:
bonds (distance) C4'-P energy: -7.470
bonds (distance) P-C4' energy: -10.649
flat angles C4'-P-C4' energy: -7.482
flat angles P-C4'-P energy: -6.433
tors. eta vs tors. theta energy: -9.798
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: 3
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -135.616984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.616984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.616984 (E_RNA)
where:
Base-Base interactions energy: -94.387
where: short stacking energy: -46.024
Base-Backbone interact. energy: -0.114
local terms energy: -41.115117
where:
bonds (distance) C4'-P energy: -9.361
bonds (distance) P-C4' energy: -10.429
flat angles C4'-P-C4' energy: -6.335
flat angles P-C4'-P energy: -6.308
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: 6, replica: 7
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -128.408733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.408733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.408733 (E_RNA)
where:
Base-Base interactions energy: -85.277
where: short stacking energy: -41.790
Base-Backbone interact. energy: -0.002
local terms energy: -43.129579
where:
bonds (distance) C4'-P energy: -9.283
bonds (distance) P-C4' energy: -9.055
flat angles C4'-P-C4' energy: -6.883
flat angles P-C4'-P energy: -8.415
tors. eta vs tors. theta energy: -9.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -123.862502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.862502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.862502 (E_RNA)
where:
Base-Base interactions energy: -88.297
where: short stacking energy: -38.580
Base-Backbone interact. energy: -0.007
local terms energy: -35.558231
where:
bonds (distance) C4'-P energy: -9.221
bonds (distance) P-C4' energy: -7.714
flat angles C4'-P-C4' energy: -8.407
flat angles P-C4'-P energy: -4.602
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: 8, replica: 10
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -134.203499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.203499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.203499 (E_RNA)
where:
Base-Base interactions energy: -91.976
where: short stacking energy: -43.292
Base-Backbone interact. energy: 0.495
local terms energy: -42.721834
where:
bonds (distance) C4'-P energy: -8.712
bonds (distance) P-C4' energy: -9.270
flat angles C4'-P-C4' energy: -9.148
flat angles P-C4'-P energy: -8.063
tors. eta vs tors. theta energy: -7.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -62.281616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.281616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.281616 (E_RNA)
where:
Base-Base interactions energy: -29.110
where: short stacking energy: -29.110
Base-Backbone interact. energy: -0.046
local terms energy: -33.125607
where:
bonds (distance) C4'-P energy: -10.562
bonds (distance) P-C4' energy: -10.413
flat angles C4'-P-C4' energy: -4.644
flat angles P-C4'-P energy: -4.005
tors. eta vs tors. theta energy: -3.502
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: 10, replica: 2
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -59.083107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.083107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.083107 (E_RNA)
where:
Base-Base interactions energy: -28.046
where: short stacking energy: -25.645
Base-Backbone interact. energy: -0.007
local terms energy: -31.030738
where:
bonds (distance) C4'-P energy: -7.991
bonds (distance) P-C4' energy: -10.032
flat angles C4'-P-C4' energy: -8.444
flat angles P-C4'-P energy: -0.377
tors. eta vs tors. theta energy: -4.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -141.854622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.854622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.854622 (E_RNA)
where:
Base-Base interactions energy: -95.526
where: short stacking energy: -45.242
Base-Backbone interact. energy: -0.696
local terms energy: -45.632415
where:
bonds (distance) C4'-P energy: -10.454
bonds (distance) P-C4' energy: -9.087
flat angles C4'-P-C4' energy: -9.563
flat angles P-C4'-P energy: -6.818
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: 2, replica: 6
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -139.342928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.342928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.342928 (E_RNA)
where:
Base-Base interactions energy: -93.055
where: short stacking energy: -43.476
Base-Backbone interact. energy: -1.711
local terms energy: -44.577607
where:
bonds (distance) C4'-P energy: -9.564
bonds (distance) P-C4' energy: -10.190
flat angles C4'-P-C4' energy: -7.369
flat angles P-C4'-P energy: -7.042
tors. eta vs tors. theta energy: -10.413
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: 3, replica: 9
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -141.578462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.578462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.578462 (E_RNA)
where:
Base-Base interactions energy: -96.793
where: short stacking energy: -44.318
Base-Backbone interact. energy: -1.085
local terms energy: -43.700563
where:
bonds (distance) C4'-P energy: -9.494
bonds (distance) P-C4' energy: -7.149
flat angles C4'-P-C4' energy: -9.609
flat angles P-C4'-P energy: -8.427
tors. eta vs tors. theta energy: -9.022
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: 4, replica: 4
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -140.161582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.161582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.161582 (E_RNA)
where:
Base-Base interactions energy: -95.669
where: short stacking energy: -41.443
Base-Backbone interact. energy: -1.899
local terms energy: -42.594378
where:
bonds (distance) C4'-P energy: -8.227
bonds (distance) P-C4' energy: -10.067
flat angles C4'-P-C4' energy: -8.977
flat angles P-C4'-P energy: -4.377
tors. eta vs tors. theta energy: -10.947
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: 98
Temperature: 1.100000
Total energy: -137.148480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.148480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.148480 (E_RNA)
where:
Base-Base interactions energy: -93.401
where: short stacking energy: -42.838
Base-Backbone interact. energy: -0.315
local terms energy: -43.432819
where:
bonds (distance) C4'-P energy: -6.642
bonds (distance) P-C4' energy: -10.619
flat angles C4'-P-C4' energy: -9.828
flat angles P-C4'-P energy: -8.582
tors. eta vs tors. theta energy: -7.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -136.300475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.300475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.300475 (E_RNA)
where:
Base-Base interactions energy: -90.825
where: short stacking energy: -43.458
Base-Backbone interact. energy: -0.929
local terms energy: -44.546729
where:
bonds (distance) C4'-P energy: -9.146
bonds (distance) P-C4' energy: -10.429
flat angles C4'-P-C4' energy: -9.188
flat angles P-C4'-P energy: -5.966
tors. eta vs tors. theta energy: -9.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -130.600173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.600173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.600173 (E_RNA)
where:
Base-Base interactions energy: -89.574
where: short stacking energy: -36.614
Base-Backbone interact. energy: 0.306
local terms energy: -41.332246
where:
bonds (distance) C4'-P energy: -5.300
bonds (distance) P-C4' energy: -11.131
flat angles C4'-P-C4' energy: -10.359
flat angles P-C4'-P energy: -6.033
tors. eta vs tors. theta energy: -8.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -115.417619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.417619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.417619 (E_RNA)
where:
Base-Base interactions energy: -76.717
where: short stacking energy: -32.766
Base-Backbone interact. energy: -0.169
local terms energy: -38.532492
where:
bonds (distance) C4'-P energy: -9.477
bonds (distance) P-C4' energy: -8.358
flat angles C4'-P-C4' energy: -7.846
flat angles P-C4'-P energy: -6.141
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: 9, replica: 8
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -91.729907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.729907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.729907 (E_RNA)
where:
Base-Base interactions energy: -62.004
where: short stacking energy: -27.526
Base-Backbone interact. energy: -0.242
local terms energy: -29.483948
where:
bonds (distance) C4'-P energy: -2.054
bonds (distance) P-C4' energy: -9.134
flat angles C4'-P-C4' energy: -9.315
flat angles P-C4'-P energy: -5.640
tors. eta vs tors. theta energy: -3.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -108.749646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.749646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.749646 (E_RNA)
where:
Base-Base interactions energy: -70.993
where: short stacking energy: -30.738
Base-Backbone interact. energy: -0.001
local terms energy: -37.756219
where:
bonds (distance) C4'-P energy: -8.181
bonds (distance) P-C4' energy: -7.809
flat angles C4'-P-C4' energy: -8.616
flat angles P-C4'-P energy: -4.658
tors. eta vs tors. theta energy: -8.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -145.825176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.825176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.825176 (E_RNA)
where:
Base-Base interactions energy: -96.445
where: short stacking energy: -47.742
Base-Backbone interact. energy: -1.716
local terms energy: -47.665073
where:
bonds (distance) C4'-P energy: -9.432
bonds (distance) P-C4' energy: -9.969
flat angles C4'-P-C4' energy: -8.453
flat angles P-C4'-P energy: -8.895
tors. eta vs tors. theta energy: -10.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -138.244142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.244142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.244142 (E_RNA)
where:
Base-Base interactions energy: -93.011
where: short stacking energy: -40.875
Base-Backbone interact. energy: -0.584
local terms energy: -44.649538
where:
bonds (distance) C4'-P energy: -10.231
bonds (distance) P-C4' energy: -9.576
flat angles C4'-P-C4' energy: -9.438
flat angles P-C4'-P energy: -6.837
tors. eta vs tors. theta energy: -8.567
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: 3, replica: 6
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -139.619230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.619230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.619230 (E_RNA)
where:
Base-Base interactions energy: -93.084
where: short stacking energy: -44.716
Base-Backbone interact. energy: -1.964
local terms energy: -44.571920
where:
bonds (distance) C4'-P energy: -7.069
bonds (distance) P-C4' energy: -10.849
flat angles C4'-P-C4' energy: -9.113
flat angles P-C4'-P energy: -6.050
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: 4, replica: 3
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -138.294334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.294334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.294334 (E_RNA)
where:
Base-Base interactions energy: -92.314
where: short stacking energy: -42.335
Base-Backbone interact. energy: -1.699
local terms energy: -44.281157
where:
bonds (distance) C4'-P energy: -9.014
bonds (distance) P-C4' energy: -9.993
flat angles C4'-P-C4' energy: -9.230
flat angles P-C4'-P energy: -5.380
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: 4
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -134.625657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.625657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.625657 (E_RNA)
where:
Base-Base interactions energy: -89.516
where: short stacking energy: -45.027
Base-Backbone interact. energy: -0.820
local terms energy: -44.288893
where:
bonds (distance) C4'-P energy: -9.805
bonds (distance) P-C4' energy: -10.448
flat angles C4'-P-C4' energy: -8.292
flat angles P-C4'-P energy: -7.277
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: 6, replica: 10
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -127.732205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.732205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.732205 (E_RNA)
where:
Base-Base interactions energy: -86.091
where: short stacking energy: -37.715
Base-Backbone interact. energy: -0.516
local terms energy: -41.124407
where:
bonds (distance) C4'-P energy: -9.937
bonds (distance) P-C4' energy: -8.513
flat angles C4'-P-C4' energy: -8.726
flat angles P-C4'-P energy: -5.865
tors. eta vs tors. theta energy: -8.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -137.265465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.265465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.265465 (E_RNA)
where:
Base-Base interactions energy: -94.245
where: short stacking energy: -38.207
Base-Backbone interact. energy: -0.506
local terms energy: -42.514419
where:
bonds (distance) C4'-P energy: -9.288
bonds (distance) P-C4' energy: -9.267
flat angles C4'-P-C4' energy: -10.120
flat angles P-C4'-P energy: -3.474
tors. eta vs tors. theta energy: -10.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -112.827542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.827542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.827542 (E_RNA)
where:
Base-Base interactions energy: -72.288
where: short stacking energy: -41.767
Base-Backbone interact. energy: -0.000
local terms energy: -40.539966
where:
bonds (distance) C4'-P energy: -4.407
bonds (distance) P-C4' energy: -9.975
flat angles C4'-P-C4' energy: -8.239
flat angles P-C4'-P energy: -7.790
tors. eta vs tors. theta energy: -10.129
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: 99
Temperature: 1.300000
Total energy: -119.670003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.670003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.670003 (E_RNA)
where:
Base-Base interactions energy: -79.683
where: short stacking energy: -29.177
Base-Backbone interact. energy: -0.001
local terms energy: -39.986020
where:
bonds (distance) C4'-P energy: -8.496
bonds (distance) P-C4' energy: -11.131
flat angles C4'-P-C4' energy: -9.282
flat angles P-C4'-P energy: -2.494
tors. eta vs tors. theta energy: -8.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -123.426076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.426076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.426076 (E_RNA)
where:
Base-Base interactions energy: -89.269
where: short stacking energy: -41.556
Base-Backbone interact. energy: -0.003
local terms energy: -34.154075
where:
bonds (distance) C4'-P energy: -9.022
bonds (distance) P-C4' energy: -1.444
flat angles C4'-P-C4' energy: -9.555
flat angles P-C4'-P energy: -4.749
tors. eta vs tors. theta energy: -9.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -135.506374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.506374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.506374 (E_RNA)
where:
Base-Base interactions energy: -94.340
where: short stacking energy: -41.895
Base-Backbone interact. energy: -0.082
local terms energy: -41.084175
where:
bonds (distance) C4'-P energy: -8.794
bonds (distance) P-C4' energy: -9.355
flat angles C4'-P-C4' energy: -9.747
flat angles P-C4'-P energy: -7.063
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: 2, replica: 5
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -139.482945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.482945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.482945 (E_RNA)
where:
Base-Base interactions energy: -93.533
where: short stacking energy: -46.050
Base-Backbone interact. energy: -0.389
local terms energy: -45.560819
where:
bonds (distance) C4'-P energy: -8.203
bonds (distance) P-C4' energy: -10.426
flat angles C4'-P-C4' energy: -9.589
flat angles P-C4'-P energy: -7.371
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: 3, replica: 3
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -138.956494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.956494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.956494 (E_RNA)
where:
Base-Base interactions energy: -94.300
where: short stacking energy: -41.924
Base-Backbone interact. energy: -0.832
local terms energy: -43.824570
where:
bonds (distance) C4'-P energy: -9.121
bonds (distance) P-C4' energy: -9.340
flat angles C4'-P-C4' energy: -7.792
flat angles P-C4'-P energy: -7.336
tors. eta vs tors. theta energy: -10.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -140.943487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.943487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.943487 (E_RNA)
where:
Base-Base interactions energy: -94.436
where: short stacking energy: -39.460
Base-Backbone interact. energy: -2.021
local terms energy: -44.486823
where:
bonds (distance) C4'-P energy: -9.254
bonds (distance) P-C4' energy: -7.822
flat angles C4'-P-C4' energy: -9.266
flat angles P-C4'-P energy: -7.220
tors. eta vs tors. theta energy: -10.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -132.720006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.720006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.720006 (E_RNA)
where:
Base-Base interactions energy: -92.635
where: short stacking energy: -44.728
Base-Backbone interact. energy: -1.550
local terms energy: -38.535104
where:
bonds (distance) C4'-P energy: -6.940
bonds (distance) P-C4' energy: -7.665
flat angles C4'-P-C4' energy: -8.495
flat angles P-C4'-P energy: -4.876
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: 6, replica: 4
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -132.730141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.730141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.730141 (E_RNA)
where:
Base-Base interactions energy: -94.307
where: short stacking energy: -43.884
Base-Backbone interact. energy: -0.047
local terms energy: -38.375483
where:
bonds (distance) C4'-P energy: -6.680
bonds (distance) P-C4' energy: -7.671
flat angles C4'-P-C4' energy: -9.435
flat angles P-C4'-P energy: -5.779
tors. eta vs tors. theta energy: -8.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -134.152675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.152675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.152675 (E_RNA)
where:
Base-Base interactions energy: -92.955
where: short stacking energy: -43.624
Base-Backbone interact. energy: -0.756
local terms energy: -40.442214
where:
bonds (distance) C4'-P energy: -4.567
bonds (distance) P-C4' energy: -9.024
flat angles C4'-P-C4' energy: -8.987
flat angles P-C4'-P energy: -8.607
tors. eta vs tors. theta energy: -9.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -68.050371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.050371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.050371 (E_RNA)
where:
Base-Base interactions energy: -37.030
where: short stacking energy: -25.436
Base-Backbone interact. energy: -0.081
local terms energy: -30.939021
where:
bonds (distance) C4'-P energy: -9.390
bonds (distance) P-C4' energy: -6.051
flat angles C4'-P-C4' energy: -9.174
flat angles P-C4'-P energy: -2.139
tors. eta vs tors. theta energy: -4.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -121.853405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.853405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.853405 (E_RNA)
where:
Base-Base interactions energy: -78.737
where: short stacking energy: -30.832
Base-Backbone interact. energy: -0.085
local terms energy: -43.030973
where:
bonds (distance) C4'-P energy: -8.816
bonds (distance) P-C4' energy: -10.115
flat angles C4'-P-C4' energy: -10.157
flat angles P-C4'-P energy: -4.309
tors. eta vs tors. theta energy: -9.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -114.828320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.828320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.828320 (E_RNA)
where:
Base-Base interactions energy: -82.691
where: short stacking energy: -32.328
Base-Backbone interact. energy: -0.572
local terms energy: -31.564694
where:
bonds (distance) C4'-P energy: -4.815
bonds (distance) P-C4' energy: -7.824
flat angles C4'-P-C4' energy: -9.625
flat angles P-C4'-P energy: -5.539
tors. eta vs tors. theta energy: -3.762
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: 9
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -137.847817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.847817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.847817 (E_RNA)
where:
Base-Base interactions energy: -94.329
where: short stacking energy: -44.146
Base-Backbone interact. energy: -0.007
local terms energy: -43.512299
where:
bonds (distance) C4'-P energy: -9.851
bonds (distance) P-C4' energy: -9.079
flat angles C4'-P-C4' energy: -8.774
flat angles P-C4'-P energy: -5.532
tors. eta vs tors. theta energy: -10.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -140.665041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.665041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.665041 (E_RNA)
where:
Base-Base interactions energy: -93.414
where: short stacking energy: -42.510
Base-Backbone interact. energy: -0.504
local terms energy: -46.747029
where:
bonds (distance) C4'-P energy: -10.293
bonds (distance) P-C4' energy: -8.986
flat angles C4'-P-C4' energy: -10.143
flat angles P-C4'-P energy: -8.200
tors. eta vs tors. theta energy: -9.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -138.812937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.812937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.812937 (E_RNA)
where:
Base-Base interactions energy: -95.016
where: short stacking energy: -45.185
Base-Backbone interact. energy: -0.001
local terms energy: -43.796141
where:
bonds (distance) C4'-P energy: -9.076
bonds (distance) P-C4' energy: -9.485
flat angles C4'-P-C4' energy: -10.478
flat angles P-C4'-P energy: -5.899
tors. eta vs tors. theta energy: -8.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -136.630455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.630455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.630455 (E_RNA)
where:
Base-Base interactions energy: -92.163
where: short stacking energy: -41.083
Base-Backbone interact. energy: -1.270
local terms energy: -43.197813
where:
bonds (distance) C4'-P energy: -8.323
bonds (distance) P-C4' energy: -10.386
flat angles C4'-P-C4' energy: -9.446
flat angles P-C4'-P energy: -7.716
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: 5, replica: 6
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -136.014314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.014314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.014314 (E_RNA)
where:
Base-Base interactions energy: -91.142
where: short stacking energy: -44.233
Base-Backbone interact. energy: -1.018
local terms energy: -43.854842
where:
bonds (distance) C4'-P energy: -9.142
bonds (distance) P-C4' energy: -9.119
flat angles C4'-P-C4' energy: -8.489
flat angles P-C4'-P energy: -7.358
tors. eta vs tors. theta energy: -9.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -129.377477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.377477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.377477 (E_RNA)
where:
Base-Base interactions energy: -86.348
where: short stacking energy: -38.370
Base-Backbone interact. energy: -0.003
local terms energy: -43.026767
where:
bonds (distance) C4'-P energy: -8.690
bonds (distance) P-C4' energy: -10.441
flat angles C4'-P-C4' energy: -9.146
flat angles P-C4'-P energy: -6.057
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: 7
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -133.636254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.636254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.636254 (E_RNA)
where:
Base-Base interactions energy: -100.796
where: short stacking energy: -37.080
Base-Backbone interact. energy: -0.005
local terms energy: -32.835070
where:
bonds (distance) C4'-P energy: -9.079
bonds (distance) P-C4' energy: -6.126
flat angles C4'-P-C4' energy: -6.330
flat angles P-C4'-P energy: -3.082
tors. eta vs tors. theta energy: -8.218
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: 8, replica: 2
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -126.908184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.908184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.908184 (E_RNA)
where:
Base-Base interactions energy: -87.332
where: short stacking energy: -38.244
Base-Backbone interact. energy: -0.003
local terms energy: -39.573025
where:
bonds (distance) C4'-P energy: -8.791
bonds (distance) P-C4' energy: -5.277
flat angles C4'-P-C4' energy: -9.686
flat angles P-C4'-P energy: -7.853
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: 9, replica: 8
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -69.117370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.117370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.117370 (E_RNA)
where:
Base-Base interactions energy: -33.376
where: short stacking energy: -33.376
Base-Backbone interact. energy: -0.002
local terms energy: -35.739486
where:
bonds (distance) C4'-P energy: -6.741
bonds (distance) P-C4' energy: -9.640
flat angles C4'-P-C4' energy: -6.808
flat angles P-C4'-P energy: -7.906
tors. eta vs tors. theta energy: -4.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -113.989871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.989871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.989871 (E_RNA)
where:
Base-Base interactions energy: -80.754
where: short stacking energy: -33.996
Base-Backbone interact. energy: -0.343
local terms energy: -32.892812
where:
bonds (distance) C4'-P energy: -5.631
bonds (distance) P-C4' energy: -10.870
flat angles C4'-P-C4' energy: -3.610
flat angles P-C4'-P energy: -4.703
tors. eta vs tors. theta energy: -8.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -139.742087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.742087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.742087 (E_RNA)
where:
Base-Base interactions energy: -98.922
where: short stacking energy: -45.726
Base-Backbone interact. energy: -0.344
local terms energy: -40.475588
where:
bonds (distance) C4'-P energy: -8.952
bonds (distance) P-C4' energy: -10.662
flat angles C4'-P-C4' energy: -8.554
flat angles P-C4'-P energy: -3.348
tors. eta vs tors. theta energy: -8.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -138.771257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.771257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.771257 (E_RNA)
where:
Base-Base interactions energy: -94.617
where: short stacking energy: -44.933
Base-Backbone interact. energy: -0.010
local terms energy: -44.144672
where:
bonds (distance) C4'-P energy: -7.564
bonds (distance) P-C4' energy: -9.404
flat angles C4'-P-C4' energy: -9.617
flat angles P-C4'-P energy: -7.179
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: 3, replica: 5
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -139.785048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.785048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.785048 (E_RNA)
where:
Base-Base interactions energy: -94.379
where: short stacking energy: -44.141
Base-Backbone interact. energy: -1.433
local terms energy: -43.973435
where:
bonds (distance) C4'-P energy: -8.446
bonds (distance) P-C4' energy: -10.404
flat angles C4'-P-C4' energy: -7.815
flat angles P-C4'-P energy: -8.102
tors. eta vs tors. theta energy: -9.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -135.659207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.659207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.659207 (E_RNA)
where:
Base-Base interactions energy: -92.959
where: short stacking energy: -42.772
Base-Backbone interact. energy: 0.515
local terms energy: -43.215364
where:
bonds (distance) C4'-P energy: -8.712
bonds (distance) P-C4' energy: -7.777
flat angles C4'-P-C4' energy: -9.243
flat angles P-C4'-P energy: -7.290
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: 5, replica: 4
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -136.725464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.725464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.725464 (E_RNA)
where:
Base-Base interactions energy: -92.788
where: short stacking energy: -44.216
Base-Backbone interact. energy: -0.003
local terms energy: -43.934403
where:
bonds (distance) C4'-P energy: -8.608
bonds (distance) P-C4' energy: -9.221
flat angles C4'-P-C4' energy: -10.604
flat angles P-C4'-P energy: -3.393
tors. eta vs tors. theta energy: -12.108
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: 6, replica: 6
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -126.910303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.910303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.910303 (E_RNA)
where:
Base-Base interactions energy: -89.636
where: short stacking energy: -36.646
Base-Backbone interact. energy: -0.001
local terms energy: -37.272715
where:
bonds (distance) C4'-P energy: -6.812
bonds (distance) P-C4' energy: -7.948
flat angles C4'-P-C4' energy: -10.181
flat angles P-C4'-P energy: -5.943
tors. eta vs tors. theta energy: -6.389
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: 102
Temperature: 1.200000
Total energy: -127.506933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.506933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.506933 (E_RNA)
where:
Base-Base interactions energy: -88.556
where: short stacking energy: -34.259
Base-Backbone interact. energy: -0.012
local terms energy: -38.938790
where:
bonds (distance) C4'-P energy: -10.417
bonds (distance) P-C4' energy: -9.662
flat angles C4'-P-C4' energy: -8.172
flat angles P-C4'-P energy: -2.983
tors. eta vs tors. theta energy: -7.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -128.640035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.640035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.640035 (E_RNA)
where:
Base-Base interactions energy: -90.059
where: short stacking energy: -38.998
Base-Backbone interact. energy: -0.018
local terms energy: -38.562939
where:
bonds (distance) C4'-P energy: -9.030
bonds (distance) P-C4' energy: -9.300
flat angles C4'-P-C4' energy: -8.868
flat angles P-C4'-P energy: -2.861
tors. eta vs tors. theta energy: -8.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -113.550343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.550343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.550343 (E_RNA)
where:
Base-Base interactions energy: -76.529
where: short stacking energy: -32.119
Base-Backbone interact. energy: -0.093
local terms energy: -36.928100
where:
bonds (distance) C4'-P energy: -8.062
bonds (distance) P-C4' energy: -11.360
flat angles C4'-P-C4' energy: -6.948
flat angles P-C4'-P energy: -6.180
tors. eta vs tors. theta energy: -4.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -61.089083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.089083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.089083 (E_RNA)
where:
Base-Base interactions energy: -27.627
where: short stacking energy: -27.627
Base-Backbone interact. energy: 0.227
local terms energy: -33.688653
where:
bonds (distance) C4'-P energy: -9.585
bonds (distance) P-C4' energy: -8.891
flat angles C4'-P-C4' energy: -8.518
flat angles P-C4'-P energy: -3.562
tors. eta vs tors. theta energy: -3.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -144.231635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.231635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.231635 (E_RNA)
where:
Base-Base interactions energy: -97.811
where: short stacking energy: -42.808
Base-Backbone interact. energy: -1.337
local terms energy: -45.083736
where:
bonds (distance) C4'-P energy: -9.022
bonds (distance) P-C4' energy: -10.041
flat angles C4'-P-C4' energy: -7.885
flat angles P-C4'-P energy: -7.426
tors. eta vs tors. theta energy: -10.709
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: 103
Temperature: 0.950000
Total energy: -139.810138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.810138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.810138 (E_RNA)
where:
Base-Base interactions energy: -94.796
where: short stacking energy: -44.444
Base-Backbone interact. energy: -0.389
local terms energy: -44.624935
where:
bonds (distance) C4'-P energy: -10.099
bonds (distance) P-C4' energy: -9.524
flat angles C4'-P-C4' energy: -9.845
flat angles P-C4'-P energy: -5.597
tors. eta vs tors. theta energy: -9.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -146.352676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.352676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.352676 (E_RNA)
where:
Base-Base interactions energy: -97.793
where: short stacking energy: -47.148
Base-Backbone interact. energy: -1.372
local terms energy: -47.187479
where:
bonds (distance) C4'-P energy: -9.821
bonds (distance) P-C4' energy: -7.918
flat angles C4'-P-C4' energy: -8.293
flat angles P-C4'-P energy: -8.076
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: 4, replica: 4
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -134.130935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.130935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.130935 (E_RNA)
where:
Base-Base interactions energy: -92.601
where: short stacking energy: -43.375
Base-Backbone interact. energy: -0.088
local terms energy: -41.441851
where:
bonds (distance) C4'-P energy: -9.883
bonds (distance) P-C4' energy: -8.908
flat angles C4'-P-C4' energy: -8.979
flat angles P-C4'-P energy: -4.067
tors. eta vs tors. theta energy: -9.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -133.625989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.625989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.625989 (E_RNA)
where:
Base-Base interactions energy: -90.748
where: short stacking energy: -41.803
Base-Backbone interact. energy: -0.005
local terms energy: -42.872985
where:
bonds (distance) C4'-P energy: -8.003
bonds (distance) P-C4' energy: -8.303
flat angles C4'-P-C4' energy: -10.047
flat angles P-C4'-P energy: -6.854
tors. eta vs tors. theta energy: -9.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -131.415145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.415145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.415145 (E_RNA)
where:
Base-Base interactions energy: -90.539
where: short stacking energy: -42.868
Base-Backbone interact. energy: -0.000
local terms energy: -40.876276
where:
bonds (distance) C4'-P energy: -8.518
bonds (distance) P-C4' energy: -7.414
flat angles C4'-P-C4' energy: -7.358
flat angles P-C4'-P energy: -5.316
tors. eta vs tors. theta energy: -12.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -131.459486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.459486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.459486 (E_RNA)
where:
Base-Base interactions energy: -94.437
where: short stacking energy: -35.047
Base-Backbone interact. energy: -0.066
local terms energy: -36.956539
where:
bonds (distance) C4'-P energy: -9.130
bonds (distance) P-C4' energy: -7.929
flat angles C4'-P-C4' energy: -6.571
flat angles P-C4'-P energy: -4.978
tors. eta vs tors. theta energy: -8.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -120.075315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.075315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.075315 (E_RNA)
where:
Base-Base interactions energy: -91.081
where: short stacking energy: -36.530
Base-Backbone interact. energy: -0.003
local terms energy: -28.991524
where:
bonds (distance) C4'-P energy: -5.958
bonds (distance) P-C4' energy: -7.967
flat angles C4'-P-C4' energy: -4.790
flat angles P-C4'-P energy: -1.947
tors. eta vs tors. theta energy: -8.329
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: 9, replica: 7
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -129.696084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.696084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.696084 (E_RNA)
where:
Base-Base interactions energy: -93.574
where: short stacking energy: -43.315
Base-Backbone interact. energy: -1.377
local terms energy: -34.745214
where:
bonds (distance) C4'-P energy: -5.702
bonds (distance) P-C4' energy: -2.631
flat angles C4'-P-C4' energy: -9.320
flat angles P-C4'-P energy: -5.869
tors. eta vs tors. theta energy: -11.222
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: 8
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -59.460014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.460014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.460014 (E_RNA)
where:
Base-Base interactions energy: -24.779
where: short stacking energy: -24.779
Base-Backbone interact. energy: -0.009
local terms energy: -34.671965
where:
bonds (distance) C4'-P energy: -6.815
bonds (distance) P-C4' energy: -10.877
flat angles C4'-P-C4' energy: -8.968
flat angles P-C4'-P energy: -6.809
tors. eta vs tors. theta energy: -1.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -140.780370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.780370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.780370 (E_RNA)
where:
Base-Base interactions energy: -96.592
where: short stacking energy: -43.913
Base-Backbone interact. energy: -0.124
local terms energy: -44.064356
where:
bonds (distance) C4'-P energy: -8.667
bonds (distance) P-C4' energy: -8.588
flat angles C4'-P-C4' energy: -9.756
flat angles P-C4'-P energy: -5.166
tors. eta vs tors. theta energy: -11.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -139.510686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.510686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.510686 (E_RNA)
where:
Base-Base interactions energy: -92.495
where: short stacking energy: -43.012
Base-Backbone interact. energy: -1.559
local terms energy: -45.456764
where:
bonds (distance) C4'-P energy: -10.524
bonds (distance) P-C4' energy: -9.925
flat angles C4'-P-C4' energy: -7.319
flat angles P-C4'-P energy: -7.169
tors. eta vs tors. theta energy: -10.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -139.118959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.118959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.118959 (E_RNA)
where:
Base-Base interactions energy: -94.460
where: short stacking energy: -45.019
Base-Backbone interact. energy: -0.005
local terms energy: -44.653921
where:
bonds (distance) C4'-P energy: -9.787
bonds (distance) P-C4' energy: -7.574
flat angles C4'-P-C4' energy: -10.575
flat angles P-C4'-P energy: -6.101
tors. eta vs tors. theta energy: -10.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -137.682772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.682772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.682772 (E_RNA)
where:
Base-Base interactions energy: -95.214
where: short stacking energy: -45.791
Base-Backbone interact. energy: -0.532
local terms energy: -41.936767
where:
bonds (distance) C4'-P energy: -4.886
bonds (distance) P-C4' energy: -9.287
flat angles C4'-P-C4' energy: -8.934
flat angles P-C4'-P energy: -8.342
tors. eta vs tors. theta energy: -10.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -132.596146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.596146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.596146 (E_RNA)
where:
Base-Base interactions energy: -93.185
where: short stacking energy: -41.269
Base-Backbone interact. energy: -1.169
local terms energy: -38.242126
where:
bonds (distance) C4'-P energy: -3.529
bonds (distance) P-C4' energy: -8.732
flat angles C4'-P-C4' energy: -10.061
flat angles P-C4'-P energy: -8.067
tors. eta vs tors. theta energy: -7.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -137.785954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.785954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.785954 (E_RNA)
where:
Base-Base interactions energy: -94.468
where: short stacking energy: -43.870
Base-Backbone interact. energy: -0.321
local terms energy: -42.996977
where:
bonds (distance) C4'-P energy: -6.680
bonds (distance) P-C4' energy: -9.693
flat angles C4'-P-C4' energy: -9.254
flat angles P-C4'-P energy: -8.654
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: 7, replica: 1
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -127.283042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.283042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.283042 (E_RNA)
where:
Base-Base interactions energy: -87.641
where: short stacking energy: -38.401
Base-Backbone interact. energy: -1.677
local terms energy: -37.965073
where:
bonds (distance) C4'-P energy: -7.900
bonds (distance) P-C4' energy: -6.910
flat angles C4'-P-C4' energy: -10.446
flat angles P-C4'-P energy: -4.019
tors. eta vs tors. theta energy: -8.690
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: 6
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -123.226677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.226677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.226677 (E_RNA)
where:
Base-Base interactions energy: -81.138
where: short stacking energy: -40.177
Base-Backbone interact. energy: -0.020
local terms energy: -42.068502
where:
bonds (distance) C4'-P energy: -6.919
bonds (distance) P-C4' energy: -10.408
flat angles C4'-P-C4' energy: -8.202
flat angles P-C4'-P energy: -7.016
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: 7
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -128.095437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.095437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.095437 (E_RNA)
where:
Base-Base interactions energy: -91.103
where: short stacking energy: -38.390
Base-Backbone interact. energy: -1.312
local terms energy: -35.680721
where:
bonds (distance) C4'-P energy: -9.200
bonds (distance) P-C4' energy: -3.340
flat angles C4'-P-C4' energy: -9.158
flat angles P-C4'-P energy: -5.310
tors. eta vs tors. theta energy: -8.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -57.523380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.523380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.523380 (E_RNA)
where:
Base-Base interactions energy: -25.929
where: short stacking energy: -25.929
Base-Backbone interact. energy: -0.005
local terms energy: -31.589875
where:
bonds (distance) C4'-P energy: -9.033
bonds (distance) P-C4' energy: -6.242
flat angles C4'-P-C4' energy: -7.345
flat angles P-C4'-P energy: -1.347
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: 5
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -139.994335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.994335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.994335 (E_RNA)
where:
Base-Base interactions energy: -98.559
where: short stacking energy: -47.881
Base-Backbone interact. energy: -0.159
local terms energy: -41.276491
where:
bonds (distance) C4'-P energy: -8.802
bonds (distance) P-C4' energy: -8.686
flat angles C4'-P-C4' energy: -8.274
flat angles P-C4'-P energy: -5.664
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: 2, replica: 4
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -140.367116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.367116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.367116 (E_RNA)
where:
Base-Base interactions energy: -95.512
where: short stacking energy: -43.572
Base-Backbone interact. energy: -0.323
local terms energy: -44.531548
where:
bonds (distance) C4'-P energy: -10.028
bonds (distance) P-C4' energy: -11.128
flat angles C4'-P-C4' energy: -8.812
flat angles P-C4'-P energy: -4.574
tors. eta vs tors. theta energy: -9.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -143.755725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.755725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.755725 (E_RNA)
where:
Base-Base interactions energy: -100.096
where: short stacking energy: -46.894
Base-Backbone interact. energy: -1.953
local terms energy: -41.707017
where:
bonds (distance) C4'-P energy: -10.293
bonds (distance) P-C4' energy: -9.925
flat angles C4'-P-C4' energy: -5.351
flat angles P-C4'-P energy: -7.654
tors. eta vs tors. theta energy: -8.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -134.791592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.791592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.791592 (E_RNA)
where:
Base-Base interactions energy: -89.419
where: short stacking energy: -42.326
Base-Backbone interact. energy: -0.642
local terms energy: -44.730939
where:
bonds (distance) C4'-P energy: -9.912
bonds (distance) P-C4' energy: -9.761
flat angles C4'-P-C4' energy: -9.529
flat angles P-C4'-P energy: -6.250
tors. eta vs tors. theta energy: -9.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -138.598797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.598797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.598797 (E_RNA)
where:
Base-Base interactions energy: -97.460
where: short stacking energy: -46.268
Base-Backbone interact. energy: -0.272
local terms energy: -40.866941
where:
bonds (distance) C4'-P energy: -5.073
bonds (distance) P-C4' energy: -10.634
flat angles C4'-P-C4' energy: -9.798
flat angles P-C4'-P energy: -5.879
tors. eta vs tors. theta energy: -9.483
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: 10
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -132.192734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.192734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.192734 (E_RNA)
where:
Base-Base interactions energy: -92.435
where: short stacking energy: -39.875
Base-Backbone interact. energy: -0.556
local terms energy: -39.201335
where:
bonds (distance) C4'-P energy: -8.119
bonds (distance) P-C4' energy: -9.929
flat angles C4'-P-C4' energy: -6.819
flat angles P-C4'-P energy: -8.126
tors. eta vs tors. theta energy: -6.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -130.453102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.453102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.453102 (E_RNA)
where:
Base-Base interactions energy: -89.803
where: short stacking energy: -38.943
Base-Backbone interact. energy: -2.032
local terms energy: -38.618554
where:
bonds (distance) C4'-P energy: -7.921
bonds (distance) P-C4' energy: -7.165
flat angles C4'-P-C4' energy: -9.791
flat angles P-C4'-P energy: -5.178
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: 8, replica: 7
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -126.767124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.767124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.767124 (E_RNA)
where:
Base-Base interactions energy: -87.243
where: short stacking energy: -36.385
Base-Backbone interact. energy: -1.839
local terms energy: -37.685618
where:
bonds (distance) C4'-P energy: -9.299
bonds (distance) P-C4' energy: -8.724
flat angles C4'-P-C4' energy: -7.214
flat angles P-C4'-P energy: -4.101
tors. eta vs tors. theta energy: -8.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -127.037756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.037756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.037756 (E_RNA)
where:
Base-Base interactions energy: -83.365
where: short stacking energy: -35.992
Base-Backbone interact. energy: -0.311
local terms energy: -43.362302
where:
bonds (distance) C4'-P energy: -9.589
bonds (distance) P-C4' energy: -9.435
flat angles C4'-P-C4' energy: -9.302
flat angles P-C4'-P energy: -4.415
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: 10, replica: 8
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -62.448243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.448243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.448243 (E_RNA)
where:
Base-Base interactions energy: -29.198
where: short stacking energy: -28.187
Base-Backbone interact. energy: -0.270
local terms energy: -32.979987
where:
bonds (distance) C4'-P energy: -8.103
bonds (distance) P-C4' energy: -9.274
flat angles C4'-P-C4' energy: -6.214
flat angles P-C4'-P energy: -5.170
tors. eta vs tors. theta energy: -4.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -140.386152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.386152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.386152 (E_RNA)
where:
Base-Base interactions energy: -95.623
where: short stacking energy: -43.402
Base-Backbone interact. energy: -0.715
local terms energy: -44.049108
where:
bonds (distance) C4'-P energy: -7.168
bonds (distance) P-C4' energy: -10.902
flat angles C4'-P-C4' energy: -9.598
flat angles P-C4'-P energy: -8.342
tors. eta vs tors. theta energy: -8.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -139.428591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.428591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.428591 (E_RNA)
where:
Base-Base interactions energy: -93.247
where: short stacking energy: -42.352
Base-Backbone interact. energy: -0.641
local terms energy: -45.541058
where:
bonds (distance) C4'-P energy: -7.775
bonds (distance) P-C4' energy: -9.877
flat angles C4'-P-C4' energy: -8.744
flat angles P-C4'-P energy: -9.482
tors. eta vs tors. theta energy: -9.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -138.672567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.672567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.672567 (E_RNA)
where:
Base-Base interactions energy: -94.852
where: short stacking energy: -45.103
Base-Backbone interact. energy: -2.184
local terms energy: -41.636868
where:
bonds (distance) C4'-P energy: -6.227
bonds (distance) P-C4' energy: -9.178
flat angles C4'-P-C4' energy: -9.715
flat angles P-C4'-P energy: -6.198
tors. eta vs tors. theta energy: -10.319
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: 3
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -139.012548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.012548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.012548 (E_RNA)
where:
Base-Base interactions energy: -93.613
where: short stacking energy: -41.742
Base-Backbone interact. energy: -1.503
local terms energy: -43.895902
where:
bonds (distance) C4'-P energy: -7.950
bonds (distance) P-C4' energy: -10.821
flat angles C4'-P-C4' energy: -8.561
flat angles P-C4'-P energy: -6.885
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: 5, replica: 9
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -134.681784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.681784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.681784 (E_RNA)
where:
Base-Base interactions energy: -89.589
where: short stacking energy: -38.341
Base-Backbone interact. energy: -0.266
local terms energy: -44.826757
where:
bonds (distance) C4'-P energy: -10.123
bonds (distance) P-C4' energy: -9.281
flat angles C4'-P-C4' energy: -10.270
flat angles P-C4'-P energy: -5.871
tors. eta vs tors. theta energy: -9.281
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: 10
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -132.780354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.780354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.780354 (E_RNA)
where:
Base-Base interactions energy: -88.355
where: short stacking energy: -40.352
Base-Backbone interact. energy: -1.482
local terms energy: -42.943092
where:
bonds (distance) C4'-P energy: -9.887
bonds (distance) P-C4' energy: -7.287
flat angles C4'-P-C4' energy: -9.437
flat angles P-C4'-P energy: -5.519
tors. eta vs tors. theta energy: -10.812
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: 1
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -126.603302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.603302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.603302 (E_RNA)
where:
Base-Base interactions energy: -89.947
where: short stacking energy: -41.815
Base-Backbone interact. energy: -0.001
local terms energy: -36.655605
where:
bonds (distance) C4'-P energy: -5.065
bonds (distance) P-C4' energy: -8.566
flat angles C4'-P-C4' energy: -9.026
flat angles P-C4'-P energy: -4.909
tors. eta vs tors. theta energy: -9.090
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: 7
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -127.934571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.934571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.934571 (E_RNA)
where:
Base-Base interactions energy: -91.587
where: short stacking energy: -39.581
Base-Backbone interact. energy: 0.290
local terms energy: -36.637306
where:
bonds (distance) C4'-P energy: -4.865
bonds (distance) P-C4' energy: -9.929
flat angles C4'-P-C4' energy: -9.459
flat angles P-C4'-P energy: -4.268
tors. eta vs tors. theta energy: -8.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -119.862865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.862865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.862865 (E_RNA)
where:
Base-Base interactions energy: -84.688
where: short stacking energy: -36.516
Base-Backbone interact. energy: -1.149
local terms energy: -34.025329
where:
bonds (distance) C4'-P energy: -7.652
bonds (distance) P-C4' energy: -6.603
flat angles C4'-P-C4' energy: -8.931
flat angles P-C4'-P energy: -4.473
tors. eta vs tors. theta energy: -6.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -56.889018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.889018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.889018 (E_RNA)
where:
Base-Base interactions energy: -27.629
where: short stacking energy: -25.667
Base-Backbone interact. energy: -0.153
local terms energy: -29.106456
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -8.565
flat angles C4'-P-C4' energy: -3.610
flat angles P-C4'-P energy: -5.927
tors. eta vs tors. theta energy: -6.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -141.218721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.218721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.218721 (E_RNA)
where:
Base-Base interactions energy: -94.735
where: short stacking energy: -43.400
Base-Backbone interact. energy: -0.900
local terms energy: -45.584049
where:
bonds (distance) C4'-P energy: -8.968
bonds (distance) P-C4' energy: -10.652
flat angles C4'-P-C4' energy: -8.497
flat angles P-C4'-P energy: -8.359
tors. eta vs tors. theta energy: -9.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -141.148970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.148970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.148970 (E_RNA)
where:
Base-Base interactions energy: -95.292
where: short stacking energy: -45.500
Base-Backbone interact. energy: -0.529
local terms energy: -45.327948
where:
bonds (distance) C4'-P energy: -10.285
bonds (distance) P-C4' energy: -10.898
flat angles C4'-P-C4' energy: -8.982
flat angles P-C4'-P energy: -5.825
tors. eta vs tors. theta energy: -9.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -138.425813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.425813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.425813 (E_RNA)
where:
Base-Base interactions energy: -95.497
where: short stacking energy: -45.494
Base-Backbone interact. energy: -0.123
local terms energy: -42.805745
where:
bonds (distance) C4'-P energy: -7.247
bonds (distance) P-C4' energy: -10.094
flat angles C4'-P-C4' energy: -9.051
flat angles P-C4'-P energy: -5.967
tors. eta vs tors. theta energy: -10.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -138.740772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.740772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.740772 (E_RNA)
where:
Base-Base interactions energy: -92.976
where: short stacking energy: -42.789
Base-Backbone interact. energy: -0.885
local terms energy: -44.879514
where:
bonds (distance) C4'-P energy: -8.472
bonds (distance) P-C4' energy: -10.574
flat angles C4'-P-C4' energy: -7.811
flat angles P-C4'-P energy: -7.091
tors. eta vs tors. theta energy: -10.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -134.905217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.905217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.905217 (E_RNA)
where:
Base-Base interactions energy: -92.851
where: short stacking energy: -43.110
Base-Backbone interact. energy: -1.875
local terms energy: -40.179693
where:
bonds (distance) C4'-P energy: -10.516
bonds (distance) P-C4' energy: -7.414
flat angles C4'-P-C4' energy: -6.292
flat angles P-C4'-P energy: -6.972
tors. eta vs tors. theta energy: -8.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -128.552962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.552962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.552962 (E_RNA)
where:
Base-Base interactions energy: -90.463
where: short stacking energy: -37.846
Base-Backbone interact. energy: -1.127
local terms energy: -36.962203
where:
bonds (distance) C4'-P energy: -5.636
bonds (distance) P-C4' energy: -7.206
flat angles C4'-P-C4' energy: -10.320
flat angles P-C4'-P energy: -4.854
tors. eta vs tors. theta energy: -8.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -131.312781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.312781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.312781 (E_RNA)
where:
Base-Base interactions energy: -90.828
where: short stacking energy: -41.913
Base-Backbone interact. energy: -0.001
local terms energy: -40.483404
where:
bonds (distance) C4'-P energy: -9.635
bonds (distance) P-C4' energy: -8.347
flat angles C4'-P-C4' energy: -7.840
flat angles P-C4'-P energy: -4.034
tors. eta vs tors. theta energy: -10.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -124.662199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.662199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.662199 (E_RNA)
where:
Base-Base interactions energy: -87.866
where: short stacking energy: -36.431
Base-Backbone interact. energy: -0.181
local terms energy: -36.615763
where:
bonds (distance) C4'-P energy: -5.603
bonds (distance) P-C4' energy: -6.731
flat angles C4'-P-C4' energy: -9.791
flat angles P-C4'-P energy: -4.150
tors. eta vs tors. theta energy: -10.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -123.743664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.743664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.743664 (E_RNA)
where:
Base-Base interactions energy: -83.508
where: short stacking energy: -36.917
Base-Backbone interact. energy: -0.956
local terms energy: -39.279715
where:
bonds (distance) C4'-P energy: -5.181
bonds (distance) P-C4' energy: -10.404
flat angles C4'-P-C4' energy: -7.981
flat angles P-C4'-P energy: -6.142
tors. eta vs tors. theta energy: -9.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -60.976737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.976737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.976737 (E_RNA)
where:
Base-Base interactions energy: -27.365
where: short stacking energy: -27.365
Base-Backbone interact. energy: -0.118
local terms energy: -33.493021
where:
bonds (distance) C4'-P energy: -7.336
bonds (distance) P-C4' energy: -11.103
flat angles C4'-P-C4' energy: -6.380
flat angles P-C4'-P energy: -3.768
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: 1, replica: 5
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -144.224538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.224538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.224538 (E_RNA)
where:
Base-Base interactions energy: -99.143
where: short stacking energy: -46.674
Base-Backbone interact. energy: -1.260
local terms energy: -43.821643
where:
bonds (distance) C4'-P energy: -8.800
bonds (distance) P-C4' energy: -6.771
flat angles C4'-P-C4' energy: -9.444
flat angles P-C4'-P energy: -7.493
tors. eta vs tors. theta energy: -11.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -140.001199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.001199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.001199 (E_RNA)
where:
Base-Base interactions energy: -94.248
where: short stacking energy: -43.353
Base-Backbone interact. energy: -0.001
local terms energy: -45.752695
where:
bonds (distance) C4'-P energy: -6.608
bonds (distance) P-C4' energy: -10.634
flat angles C4'-P-C4' energy: -8.359
flat angles P-C4'-P energy: -8.207
tors. eta vs tors. theta energy: -11.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -136.253532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.253532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.253532 (E_RNA)
where:
Base-Base interactions energy: -94.442
where: short stacking energy: -42.449
Base-Backbone interact. energy: -0.649
local terms energy: -41.161957
where:
bonds (distance) C4'-P energy: -6.925
bonds (distance) P-C4' energy: -9.870
flat angles C4'-P-C4' energy: -10.313
flat angles P-C4'-P energy: -4.310
tors. eta vs tors. theta energy: -9.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -136.514080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.514080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.514080 (E_RNA)
where:
Base-Base interactions energy: -90.900
where: short stacking energy: -44.277
Base-Backbone interact. energy: -0.004
local terms energy: -45.609838
where:
bonds (distance) C4'-P energy: -9.519
bonds (distance) P-C4' energy: -9.380
flat angles C4'-P-C4' energy: -9.774
flat angles P-C4'-P energy: -5.504
tors. eta vs tors. theta energy: -11.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -130.575948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.575948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.575948 (E_RNA)
where:
Base-Base interactions energy: -87.324
where: short stacking energy: -40.904
Base-Backbone interact. energy: -1.934
local terms energy: -41.318467
where:
bonds (distance) C4'-P energy: -7.114
bonds (distance) P-C4' energy: -10.684
flat angles C4'-P-C4' energy: -9.692
flat angles P-C4'-P energy: -5.054
tors. eta vs tors. theta energy: -8.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -130.512760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.512760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.512760 (E_RNA)
where:
Base-Base interactions energy: -89.596
where: short stacking energy: -38.850
Base-Backbone interact. energy: -0.705
local terms energy: -40.212034
where:
bonds (distance) C4'-P energy: -6.894
bonds (distance) P-C4' energy: -8.229
flat angles C4'-P-C4' energy: -10.149
flat angles P-C4'-P energy: -5.514
tors. eta vs tors. theta energy: -9.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -129.359720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.359720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.359720 (E_RNA)
where:
Base-Base interactions energy: -83.525
where: short stacking energy: -36.486
Base-Backbone interact. energy: -0.876
local terms energy: -44.958649
where:
bonds (distance) C4'-P energy: -9.494
bonds (distance) P-C4' energy: -10.588
flat angles C4'-P-C4' energy: -8.943
flat angles P-C4'-P energy: -6.984
tors. eta vs tors. theta energy: -8.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -134.410608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.410608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.410608 (E_RNA)
where:
Base-Base interactions energy: -92.664
where: short stacking energy: -43.779
Base-Backbone interact. energy: -0.723
local terms energy: -41.023374
where:
bonds (distance) C4'-P energy: -7.628
bonds (distance) P-C4' energy: -7.008
flat angles C4'-P-C4' energy: -8.574
flat angles P-C4'-P energy: -7.739
tors. eta vs tors. theta energy: -10.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -128.294743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.294743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.294743 (E_RNA)
where:
Base-Base interactions energy: -90.201
where: short stacking energy: -43.143
Base-Backbone interact. energy: -0.004
local terms energy: -38.090018
where:
bonds (distance) C4'-P energy: -5.810
bonds (distance) P-C4' energy: -10.380
flat angles C4'-P-C4' energy: -9.113
flat angles P-C4'-P energy: -5.009
tors. eta vs tors. theta energy: -7.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -54.371077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.371077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.371077 (E_RNA)
where:
Base-Base interactions energy: -25.409
where: short stacking energy: -25.409
Base-Backbone interact. energy: -0.094
local terms energy: -28.868088
where:
bonds (distance) C4'-P energy: -6.982
bonds (distance) P-C4' energy: -6.847
flat angles C4'-P-C4' energy: -8.478
flat angles P-C4'-P energy: -4.475
tors. eta vs tors. theta energy: -2.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -147.514371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.514371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.514371 (E_RNA)
where:
Base-Base interactions energy: -97.648
where: short stacking energy: -44.832
Base-Backbone interact. energy: -1.298
local terms energy: -48.567839
where:
bonds (distance) C4'-P energy: -9.449
bonds (distance) P-C4' energy: -9.312
flat angles C4'-P-C4' energy: -10.723
flat angles P-C4'-P energy: -8.703
tors. eta vs tors. theta energy: -10.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -141.059579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.059579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.059579 (E_RNA)
where:
Base-Base interactions energy: -104.192
where: short stacking energy: -39.344
Base-Backbone interact. energy: -0.006
local terms energy: -36.861423
where:
bonds (distance) C4'-P energy: -7.491
bonds (distance) P-C4' energy: -10.591
flat angles C4'-P-C4' energy: -11.166
flat angles P-C4'-P energy: -0.611
tors. eta vs tors. theta energy: -7.003
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: 3, replica: 4
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -139.920971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.920971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.920971 (E_RNA)
where:
Base-Base interactions energy: -94.581
where: short stacking energy: -43.529
Base-Backbone interact. energy: -0.001
local terms energy: -45.339100
where:
bonds (distance) C4'-P energy: -9.681
bonds (distance) P-C4' energy: -10.606
flat angles C4'-P-C4' energy: -10.179
flat angles P-C4'-P energy: -4.623
tors. eta vs tors. theta energy: -10.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -137.954751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.954751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.954751 (E_RNA)
where:
Base-Base interactions energy: -93.760
where: short stacking energy: -43.971
Base-Backbone interact. energy: -1.821
local terms energy: -42.373526
where:
bonds (distance) C4'-P energy: -6.746
bonds (distance) P-C4' energy: -9.352
flat angles C4'-P-C4' energy: -7.473
flat angles P-C4'-P energy: -7.267
tors. eta vs tors. theta energy: -11.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -131.528692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.528692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.528692 (E_RNA)
where:
Base-Base interactions energy: -92.315
where: short stacking energy: -40.523
Base-Backbone interact. energy: -0.130
local terms energy: -39.082971
where:
bonds (distance) C4'-P energy: -7.175
bonds (distance) P-C4' energy: -8.432
flat angles C4'-P-C4' energy: -8.000
flat angles P-C4'-P energy: -6.174
tors. eta vs tors. theta energy: -9.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -126.158567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.158567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.158567 (E_RNA)
where:
Base-Base interactions energy: -79.782
where: short stacking energy: -32.610
Base-Backbone interact. energy: -1.256
local terms energy: -45.121131
where:
bonds (distance) C4'-P energy: -10.223
bonds (distance) P-C4' energy: -10.656
flat angles C4'-P-C4' energy: -10.065
flat angles P-C4'-P energy: -6.664
tors. eta vs tors. theta energy: -7.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -128.570982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.570982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.570982 (E_RNA)
where:
Base-Base interactions energy: -88.766
where: short stacking energy: -42.309
Base-Backbone interact. energy: -1.002
local terms energy: -38.803103
where:
bonds (distance) C4'-P energy: -9.130
bonds (distance) P-C4' energy: -7.326
flat angles C4'-P-C4' energy: -10.010
flat angles P-C4'-P energy: -2.113
tors. eta vs tors. theta energy: -10.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -129.189410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.189410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.189410 (E_RNA)
where:
Base-Base interactions energy: -91.157
where: short stacking energy: -41.554
Base-Backbone interact. energy: -1.300
local terms energy: -36.732009
where:
bonds (distance) C4'-P energy: -9.805
bonds (distance) P-C4' energy: -8.708
flat angles C4'-P-C4' energy: -9.493
flat angles P-C4'-P energy: -1.690
tors. eta vs tors. theta energy: -7.036
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: 10
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -132.392228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.392228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.392228 (E_RNA)
where:
Base-Base interactions energy: -87.576
where: short stacking energy: -44.975
Base-Backbone interact. energy: -0.621
local terms energy: -44.194723
where:
bonds (distance) C4'-P energy: -7.064
bonds (distance) P-C4' energy: -8.740
flat angles C4'-P-C4' energy: -10.770
flat angles P-C4'-P energy: -6.943
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: 10, replica: 8
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -71.699644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.699644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.699644 (E_RNA)
where:
Base-Base interactions energy: -50.550
where: short stacking energy: -20.663
Base-Backbone interact. energy: 0.538
local terms energy: -21.686892
where:
bonds (distance) C4'-P energy: -6.920
bonds (distance) P-C4' energy: -3.371
flat angles C4'-P-C4' energy: -7.743
flat angles P-C4'-P energy: -4.160
tors. eta vs tors. theta energy: 0.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -146.109552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.109552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.109552 (E_RNA)
where:
Base-Base interactions energy: -111.217
where: short stacking energy: -46.413
Base-Backbone interact. energy: -0.293
local terms energy: -34.599514
where:
bonds (distance) C4'-P energy: -7.263
bonds (distance) P-C4' energy: -10.416
flat angles C4'-P-C4' energy: -9.088
flat angles P-C4'-P energy: 1.044
tors. eta vs tors. theta energy: -8.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -143.071813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.071813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.071813 (E_RNA)
where:
Base-Base interactions energy: -97.775
where: short stacking energy: -44.810
Base-Backbone interact. energy: -0.267
local terms energy: -45.029483
where:
bonds (distance) C4'-P energy: -7.516
bonds (distance) P-C4' energy: -10.609
flat angles C4'-P-C4' energy: -11.081
flat angles P-C4'-P energy: -6.368
tors. eta vs tors. theta energy: -9.456
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: 110
Temperature: 1.000000
Total energy: -138.362164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.362164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.362164 (E_RNA)
where:
Base-Base interactions energy: -92.189
where: short stacking energy: -43.379
Base-Backbone interact. energy: -1.165
local terms energy: -45.008012
where:
bonds (distance) C4'-P energy: -7.188
bonds (distance) P-C4' energy: -9.739
flat angles C4'-P-C4' energy: -9.004
flat angles P-C4'-P energy: -8.180
tors. eta vs tors. theta energy: -10.896
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: 4
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -143.009659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.009659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.009659 (E_RNA)
where:
Base-Base interactions energy: -106.209
where: short stacking energy: -42.222
Base-Backbone interact. energy: -0.071
local terms energy: -36.729842
where:
bonds (distance) C4'-P energy: -8.567
bonds (distance) P-C4' energy: -9.352
flat angles C4'-P-C4' energy: -6.509
flat angles P-C4'-P energy: -3.209
tors. eta vs tors. theta energy: -9.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -138.237784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.237784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.237784 (E_RNA)
where:
Base-Base interactions energy: -92.697
where: short stacking energy: -43.046
Base-Backbone interact. energy: -0.672
local terms energy: -44.868252
where:
bonds (distance) C4'-P energy: -10.153
bonds (distance) P-C4' energy: -9.116
flat angles C4'-P-C4' energy: -9.500
flat angles P-C4'-P energy: -7.202
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: 6, replica: 2
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -133.543325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.543325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.543325 (E_RNA)
where:
Base-Base interactions energy: -88.355
where: short stacking energy: -35.643
Base-Backbone interact. energy: -1.636
local terms energy: -43.551642
where:
bonds (distance) C4'-P energy: -10.070
bonds (distance) P-C4' energy: -10.849
flat angles C4'-P-C4' energy: -9.174
flat angles P-C4'-P energy: -4.684
tors. eta vs tors. theta energy: -8.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -134.886904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.886904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.886904 (E_RNA)
where:
Base-Base interactions energy: -92.501
where: short stacking energy: -42.395
Base-Backbone interact. energy: -1.408
local terms energy: -40.977910
where:
bonds (distance) C4'-P energy: -6.591
bonds (distance) P-C4' energy: -8.630
flat angles C4'-P-C4' energy: -10.584
flat angles P-C4'-P energy: -6.298
tors. eta vs tors. theta energy: -8.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -137.268507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.268507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.268507 (E_RNA)
where:
Base-Base interactions energy: -94.259
where: short stacking energy: -44.610
Base-Backbone interact. energy: -0.687
local terms energy: -42.322779
where:
bonds (distance) C4'-P energy: -6.687
bonds (distance) P-C4' energy: -8.390
flat angles C4'-P-C4' energy: -10.409
flat angles P-C4'-P energy: -7.533
tors. eta vs tors. theta energy: -9.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -127.921716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.921716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.921716 (E_RNA)
where:
Base-Base interactions energy: -90.470
where: short stacking energy: -43.176
Base-Backbone interact. energy: -1.760
local terms energy: -35.691657
where:
bonds (distance) C4'-P energy: -6.476
bonds (distance) P-C4' energy: -7.368
flat angles C4'-P-C4' energy: -7.149
flat angles P-C4'-P energy: -6.695
tors. eta vs tors. theta energy: -8.003
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: 110
Temperature: 1.350000
Total energy: -79.353168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.353168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.353168 (E_RNA)
where:
Base-Base interactions energy: -48.535
where: short stacking energy: -28.266
Base-Backbone interact. energy: -0.010
local terms energy: -30.808368
where:
bonds (distance) C4'-P energy: -7.751
bonds (distance) P-C4' energy: -7.027
flat angles C4'-P-C4' energy: -9.035
flat angles P-C4'-P energy: -3.701
tors. eta vs tors. theta energy: -3.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -144.508375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.508375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.508375 (E_RNA)
where:
Base-Base interactions energy: -98.941
where: short stacking energy: -44.657
Base-Backbone interact. energy: -0.022
local terms energy: -45.545224
where:
bonds (distance) C4'-P energy: -9.751
bonds (distance) P-C4' energy: -9.595
flat angles C4'-P-C4' energy: -10.710
flat angles P-C4'-P energy: -8.186
tors. eta vs tors. theta energy: -7.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -142.963459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.963459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.963459 (E_RNA)
where:
Base-Base interactions energy: -93.265
where: short stacking energy: -44.489
Base-Backbone interact. energy: -1.795
local terms energy: -47.904158
where:
bonds (distance) C4'-P energy: -9.911
bonds (distance) P-C4' energy: -10.208
flat angles C4'-P-C4' energy: -10.000
flat angles P-C4'-P energy: -7.371
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: 3, replica: 5
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -134.954910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.954910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.954910 (E_RNA)
where:
Base-Base interactions energy: -86.377
where: short stacking energy: -40.662
Base-Backbone interact. energy: -0.002
local terms energy: -48.576085
where:
bonds (distance) C4'-P energy: -9.271
bonds (distance) P-C4' energy: -11.128
flat angles C4'-P-C4' energy: -10.358
flat angles P-C4'-P energy: -6.309
tors. eta vs tors. theta energy: -11.511
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: 4
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -148.736896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.736896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.736896 (E_RNA)
where:
Base-Base interactions energy: -109.753
where: short stacking energy: -44.075
Base-Backbone interact. energy: -0.009
local terms energy: -38.974194
where:
bonds (distance) C4'-P energy: -9.449
bonds (distance) P-C4' energy: -10.398
flat angles C4'-P-C4' energy: -8.396
flat angles P-C4'-P energy: -2.830
tors. eta vs tors. theta energy: -7.901
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: 9
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -135.297696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.297696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.297696 (E_RNA)
where:
Base-Base interactions energy: -91.751
where: short stacking energy: -42.248
Base-Backbone interact. energy: -0.461
local terms energy: -43.086024
where:
bonds (distance) C4'-P energy: -9.771
bonds (distance) P-C4' energy: -8.439
flat angles C4'-P-C4' energy: -8.886
flat angles P-C4'-P energy: -7.676
tors. eta vs tors. theta energy: -8.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -131.687348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.687348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.687348 (E_RNA)
where:
Base-Base interactions energy: -95.841
where: short stacking energy: -39.955
Base-Backbone interact. energy: -0.025
local terms energy: -35.821739
where:
bonds (distance) C4'-P energy: -8.206
bonds (distance) P-C4' energy: -8.699
flat angles C4'-P-C4' energy: -7.039
flat angles P-C4'-P energy: -6.942
tors. eta vs tors. theta energy: -4.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -131.391761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.391761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.391761 (E_RNA)
where:
Base-Base interactions energy: -89.616
where: short stacking energy: -43.680
Base-Backbone interact. energy: -0.151
local terms energy: -41.624754
where:
bonds (distance) C4'-P energy: -7.987
bonds (distance) P-C4' energy: -9.275
flat angles C4'-P-C4' energy: -8.541
flat angles P-C4'-P energy: -5.871
tors. eta vs tors. theta energy: -9.951
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: 10
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -120.169320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.169320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.169320 (E_RNA)
where:
Base-Base interactions energy: -84.326
where: short stacking energy: -40.000
Base-Backbone interact. energy: -0.058
local terms energy: -35.785530
where:
bonds (distance) C4'-P energy: -5.677
bonds (distance) P-C4' energy: -7.862
flat angles C4'-P-C4' energy: -8.471
flat angles P-C4'-P energy: -5.966
tors. eta vs tors. theta energy: -7.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -123.551397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.551397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.551397 (E_RNA)
where:
Base-Base interactions energy: -88.103
where: short stacking energy: -39.032
Base-Backbone interact. energy: -0.905
local terms energy: -34.543773
where:
bonds (distance) C4'-P energy: -8.741
bonds (distance) P-C4' energy: -5.498
flat angles C4'-P-C4' energy: -7.138
flat angles P-C4'-P energy: -4.487
tors. eta vs tors. theta energy: -8.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -66.424169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.424169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.424169 (E_RNA)
where:
Base-Base interactions energy: -39.154
where: short stacking energy: -32.594
Base-Backbone interact. energy: -0.001
local terms energy: -27.269334
where:
bonds (distance) C4'-P energy: -7.764
bonds (distance) P-C4' energy: -8.471
flat angles C4'-P-C4' energy: -5.873
flat angles P-C4'-P energy: -2.001
tors. eta vs tors. theta energy: -3.161
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: 1
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -141.062627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.062627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.062627 (E_RNA)
where:
Base-Base interactions energy: -95.721
where: short stacking energy: -45.697
Base-Backbone interact. energy: -1.779
local terms energy: -43.562624
where:
bonds (distance) C4'-P energy: -7.213
bonds (distance) P-C4' energy: -10.186
flat angles C4'-P-C4' energy: -9.612
flat angles P-C4'-P energy: -6.916
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: 2, replica: 3
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -143.810443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.810443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.810443 (E_RNA)
where:
Base-Base interactions energy: -101.950
where: short stacking energy: -42.508
Base-Backbone interact. energy: -0.012
local terms energy: -41.848543
where:
bonds (distance) C4'-P energy: -5.764
bonds (distance) P-C4' energy: -11.124
flat angles C4'-P-C4' energy: -9.316
flat angles P-C4'-P energy: -6.558
tors. eta vs tors. theta energy: -9.086
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: 4
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -144.462763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.462763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.462763 (E_RNA)
where:
Base-Base interactions energy: -106.858
where: short stacking energy: -41.360
Base-Backbone interact. energy: -0.240
local terms energy: -37.364303
where:
bonds (distance) C4'-P energy: -9.316
bonds (distance) P-C4' energy: -8.077
flat angles C4'-P-C4' energy: -7.270
flat angles P-C4'-P energy: -3.353
tors. eta vs tors. theta energy: -9.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -137.638268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.638268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.638268 (E_RNA)
where:
Base-Base interactions energy: -91.094
where: short stacking energy: -44.009
Base-Backbone interact. energy: -0.007
local terms energy: -46.537168
where:
bonds (distance) C4'-P energy: -9.271
bonds (distance) P-C4' energy: -10.380
flat angles C4'-P-C4' energy: -8.371
flat angles P-C4'-P energy: -7.890
tors. eta vs tors. theta energy: -10.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -133.186748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.186748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.186748 (E_RNA)
where:
Base-Base interactions energy: -93.421
where: short stacking energy: -42.251
Base-Backbone interact. energy: -0.048
local terms energy: -39.717911
where:
bonds (distance) C4'-P energy: -8.459
bonds (distance) P-C4' energy: -8.256
flat angles C4'-P-C4' energy: -8.673
flat angles P-C4'-P energy: -4.488
tors. eta vs tors. theta energy: -9.842
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: 9
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -131.137282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.137282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.137282 (E_RNA)
where:
Base-Base interactions energy: -92.729
where: short stacking energy: -41.989
Base-Backbone interact. energy: -0.008
local terms energy: -38.400516
where:
bonds (distance) C4'-P energy: -9.967
bonds (distance) P-C4' energy: -3.669
flat angles C4'-P-C4' energy: -10.744
flat angles P-C4'-P energy: -4.460
tors. eta vs tors. theta energy: -9.561
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: 2
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -130.222913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.222913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.222913 (E_RNA)
where:
Base-Base interactions energy: -90.153
where: short stacking energy: -36.990
Base-Backbone interact. energy: -0.020
local terms energy: -40.049454
where:
bonds (distance) C4'-P energy: -10.322
bonds (distance) P-C4' energy: -9.285
flat angles C4'-P-C4' energy: -7.697
flat angles P-C4'-P energy: -5.005
tors. eta vs tors. theta energy: -7.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -124.794269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.794269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.794269 (E_RNA)
where:
Base-Base interactions energy: -84.310
where: short stacking energy: -37.207
Base-Backbone interact. energy: -0.239
local terms energy: -40.244362
where:
bonds (distance) C4'-P energy: -9.887
bonds (distance) P-C4' energy: -8.270
flat angles C4'-P-C4' energy: -10.213
flat angles P-C4'-P energy: -4.482
tors. eta vs tors. theta energy: -7.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -131.519573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.519573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.519573 (E_RNA)
where:
Base-Base interactions energy: -86.399
where: short stacking energy: -38.313
Base-Backbone interact. energy: -0.083
local terms energy: -45.036796
where:
bonds (distance) C4'-P energy: -8.534
bonds (distance) P-C4' energy: -11.590
flat angles C4'-P-C4' energy: -9.651
flat angles P-C4'-P energy: -5.028
tors. eta vs tors. theta energy: -10.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -63.003980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.003980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.003980 (E_RNA)
where:
Base-Base interactions energy: -33.568
where: short stacking energy: -18.390
Base-Backbone interact. energy: -0.012
local terms energy: -29.423291
where:
bonds (distance) C4'-P energy: -6.927
bonds (distance) P-C4' energy: -10.670
flat angles C4'-P-C4' energy: -9.434
flat angles P-C4'-P energy: -3.308
tors. eta vs tors. theta energy: 0.916
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: 1
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -144.888649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.888649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.888649 (E_RNA)
where:
Base-Base interactions energy: -97.803
where: short stacking energy: -45.040
Base-Backbone interact. energy: -0.780
local terms energy: -46.305082
where:
bonds (distance) C4'-P energy: -9.494
bonds (distance) P-C4' energy: -9.717
flat angles C4'-P-C4' energy: -9.871
flat angles P-C4'-P energy: -5.808
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: 2, replica: 4
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -137.278711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.278711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.278711 (E_RNA)
where:
Base-Base interactions energy: -90.181
where: short stacking energy: -41.303
Base-Backbone interact. energy: -0.138
local terms energy: -46.959603
where:
bonds (distance) C4'-P energy: -10.037
bonds (distance) P-C4' energy: -9.954
flat angles C4'-P-C4' energy: -10.224
flat angles P-C4'-P energy: -7.233
tors. eta vs tors. theta energy: -9.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -141.759203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.759203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.759203 (E_RNA)
where:
Base-Base interactions energy: -105.096
where: short stacking energy: -36.522
Base-Backbone interact. energy: -0.132
local terms energy: -36.531061
where:
bonds (distance) C4'-P energy: -9.246
bonds (distance) P-C4' energy: -10.186
flat angles C4'-P-C4' energy: -9.255
flat angles P-C4'-P energy: -2.657
tors. eta vs tors. theta energy: -5.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -137.940794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.940794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.940794 (E_RNA)
where:
Base-Base interactions energy: -95.250
where: short stacking energy: -45.020
Base-Backbone interact. energy: -0.008
local terms energy: -42.682835
where:
bonds (distance) C4'-P energy: -8.413
bonds (distance) P-C4' energy: -8.352
flat angles C4'-P-C4' energy: -9.063
flat angles P-C4'-P energy: -6.450
tors. eta vs tors. theta energy: -10.405
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: 5
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -131.065031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.065031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.065031 (E_RNA)
where:
Base-Base interactions energy: -91.274
where: short stacking energy: -40.871
Base-Backbone interact. energy: -0.235
local terms energy: -39.555860
where:
bonds (distance) C4'-P energy: -3.102
bonds (distance) P-C4' energy: -11.342
flat angles C4'-P-C4' energy: -11.075
flat angles P-C4'-P energy: -6.291
tors. eta vs tors. theta energy: -7.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -132.562826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.562826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.562826 (E_RNA)
where:
Base-Base interactions energy: -93.226
where: short stacking energy: -41.097
Base-Backbone interact. energy: -1.393
local terms energy: -37.943521
where:
bonds (distance) C4'-P energy: -4.381
bonds (distance) P-C4' energy: -8.503
flat angles C4'-P-C4' energy: -7.526
flat angles P-C4'-P energy: -8.606
tors. eta vs tors. theta energy: -8.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -128.096475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.096475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.096475 (E_RNA)
where:
Base-Base interactions energy: -89.050
where: short stacking energy: -43.571
Base-Backbone interact. energy: -0.001
local terms energy: -39.045436
where:
bonds (distance) C4'-P energy: -7.797
bonds (distance) P-C4' energy: -11.134
flat angles C4'-P-C4' energy: -7.940
flat angles P-C4'-P energy: -3.901
tors. eta vs tors. theta energy: -8.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -128.492304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.492304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.492304 (E_RNA)
where:
Base-Base interactions energy: -89.324
where: short stacking energy: -41.239
Base-Backbone interact. energy: -0.920
local terms energy: -38.248421
where:
bonds (distance) C4'-P energy: -7.983
bonds (distance) P-C4' energy: -8.460
flat angles C4'-P-C4' energy: -5.369
flat angles P-C4'-P energy: -6.143
tors. eta vs tors. theta energy: -10.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -117.355117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.355117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.355117 (E_RNA)
where:
Base-Base interactions energy: -78.273
where: short stacking energy: -37.562
Base-Backbone interact. energy: -0.535
local terms energy: -38.546267
where:
bonds (distance) C4'-P energy: -9.878
bonds (distance) P-C4' energy: -5.383
flat angles C4'-P-C4' energy: -10.411
flat angles P-C4'-P energy: -5.751
tors. eta vs tors. theta energy: -7.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -60.966157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.966157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.966157 (E_RNA)
where:
Base-Base interactions energy: -25.989
where: short stacking energy: -25.989
Base-Backbone interact. energy: -0.000
local terms energy: -34.977178
where:
bonds (distance) C4'-P energy: -6.687
bonds (distance) P-C4' energy: -9.310
flat angles C4'-P-C4' energy: -8.385
flat angles P-C4'-P energy: -5.924
tors. eta vs tors. theta energy: -4.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -141.849578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.849578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.849578 (E_RNA)
where:
Base-Base interactions energy: -92.469
where: short stacking energy: -44.078
Base-Backbone interact. energy: -1.817
local terms energy: -47.563577
where:
bonds (distance) C4'-P energy: -9.547
bonds (distance) P-C4' energy: -11.339
flat angles C4'-P-C4' energy: -8.306
flat angles P-C4'-P energy: -8.657
tors. eta vs tors. theta energy: -9.714
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: 4
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -140.351177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.351177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.351177 (E_RNA)
where:
Base-Base interactions energy: -94.961
where: short stacking energy: -44.858
Base-Backbone interact. energy: -0.697
local terms energy: -44.693793
where:
bonds (distance) C4'-P energy: -8.488
bonds (distance) P-C4' energy: -9.962
flat angles C4'-P-C4' energy: -7.774
flat angles P-C4'-P energy: -8.914
tors. eta vs tors. theta energy: -9.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -138.805230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.805230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.805230 (E_RNA)
where:
Base-Base interactions energy: -96.627
where: short stacking energy: -45.082
Base-Backbone interact. energy: -0.304
local terms energy: -41.874954
where:
bonds (distance) C4'-P energy: -6.642
bonds (distance) P-C4' energy: -9.862
flat angles C4'-P-C4' energy: -10.259
flat angles P-C4'-P energy: -6.315
tors. eta vs tors. theta energy: -8.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -138.272268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.272268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.272268 (E_RNA)
where:
Base-Base interactions energy: -99.265
where: short stacking energy: -41.988
Base-Backbone interact. energy: -0.021
local terms energy: -38.986045
where:
bonds (distance) C4'-P energy: -10.061
bonds (distance) P-C4' energy: -9.132
flat angles C4'-P-C4' energy: -8.047
flat angles P-C4'-P energy: -4.429
tors. eta vs tors. theta energy: -7.316
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: 5, replica: 2
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -136.055874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.055874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.055874 (E_RNA)
where:
Base-Base interactions energy: -94.471
where: short stacking energy: -44.533
Base-Backbone interact. energy: -1.299
local terms energy: -40.285226
where:
bonds (distance) C4'-P energy: -5.849
bonds (distance) P-C4' energy: -9.778
flat angles C4'-P-C4' energy: -8.461
flat angles P-C4'-P energy: -5.925
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: 5
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -136.577988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.577988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.577988 (E_RNA)
where:
Base-Base interactions energy: -91.038
where: short stacking energy: -43.494
Base-Backbone interact. energy: -1.056
local terms energy: -44.483936
where:
bonds (distance) C4'-P energy: -9.751
bonds (distance) P-C4' energy: -9.932
flat angles C4'-P-C4' energy: -9.656
flat angles P-C4'-P energy: -5.671
tors. eta vs tors. theta energy: -9.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -130.547552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.547552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.547552 (E_RNA)
where:
Base-Base interactions energy: -86.251
where: short stacking energy: -37.012
Base-Backbone interact. energy: -0.014
local terms energy: -44.282613
where:
bonds (distance) C4'-P energy: -9.821
bonds (distance) P-C4' energy: -9.957
flat angles C4'-P-C4' energy: -11.083
flat angles P-C4'-P energy: -6.022
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: 8, replica: 9
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -120.680954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.680954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.680954 (E_RNA)
where:
Base-Base interactions energy: -86.579
where: short stacking energy: -39.944
Base-Backbone interact. energy: -1.281
local terms energy: -32.821089
where:
bonds (distance) C4'-P energy: -8.028
bonds (distance) P-C4' energy: -6.635
flat angles C4'-P-C4' energy: -9.687
flat angles P-C4'-P energy: -2.512
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: 9, replica: 6
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -96.883227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.883227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.883227 (E_RNA)
where:
Base-Base interactions energy: -69.632
where: short stacking energy: -34.723
Base-Backbone interact. energy: -0.003
local terms energy: -27.248222
where:
bonds (distance) C4'-P energy: -5.056
bonds (distance) P-C4' energy: -1.279
flat angles C4'-P-C4' energy: -6.784
flat angles P-C4'-P energy: -4.821
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: 10, replica: 8
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -63.696527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.696527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.696527 (E_RNA)
where:
Base-Base interactions energy: -31.375
where: short stacking energy: -31.375
Base-Backbone interact. energy: -0.050
local terms energy: -32.271171
where:
bonds (distance) C4'-P energy: -9.717
bonds (distance) P-C4' energy: -3.830
flat angles C4'-P-C4' energy: -7.433
flat angles P-C4'-P energy: -4.770
tors. eta vs tors. theta energy: -6.521
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: 1, replica: 1
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -144.593406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.593406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.593406 (E_RNA)
where:
Base-Base interactions energy: -96.079
where: short stacking energy: -45.472
Base-Backbone interact. energy: -1.847
local terms energy: -46.666760
where:
bonds (distance) C4'-P energy: -9.725
bonds (distance) P-C4' energy: -9.714
flat angles C4'-P-C4' energy: -9.495
flat angles P-C4'-P energy: -6.750
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: 2, replica: 7
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -143.163399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.163399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.163399 (E_RNA)
where:
Base-Base interactions energy: -95.913
where: short stacking energy: -45.822
Base-Backbone interact. energy: -0.006
local terms energy: -47.244220
where:
bonds (distance) C4'-P energy: -10.363
bonds (distance) P-C4' energy: -9.084
flat angles C4'-P-C4' energy: -10.306
flat angles P-C4'-P energy: -6.334
tors. eta vs tors. theta energy: -11.157
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: 3, replica: 4
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -140.665658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.665658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.665658 (E_RNA)
where:
Base-Base interactions energy: -97.205
where: short stacking energy: -44.958
Base-Backbone interact. energy: -0.006
local terms energy: -43.454844
where:
bonds (distance) C4'-P energy: -10.649
bonds (distance) P-C4' energy: -8.241
flat angles C4'-P-C4' energy: -9.852
flat angles P-C4'-P energy: -6.329
tors. eta vs tors. theta energy: -8.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -137.130787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.130787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.130787 (E_RNA)
where:
Base-Base interactions energy: -96.162
where: short stacking energy: -44.399
Base-Backbone interact. energy: -1.451
local terms energy: -39.517359
where:
bonds (distance) C4'-P energy: -7.027
bonds (distance) P-C4' energy: -6.705
flat angles C4'-P-C4' energy: -9.914
flat angles P-C4'-P energy: -5.504
tors. eta vs tors. theta energy: -10.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -131.066411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.066411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.066411 (E_RNA)
where:
Base-Base interactions energy: -88.050
where: short stacking energy: -44.530
Base-Backbone interact. energy: -0.331
local terms energy: -42.685296
where:
bonds (distance) C4'-P energy: -9.581
bonds (distance) P-C4' energy: -7.791
flat angles C4'-P-C4' energy: -8.688
flat angles P-C4'-P energy: -8.100
tors. eta vs tors. theta energy: -8.526
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: 10
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -128.975154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.975154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.975154 (E_RNA)
where:
Base-Base interactions energy: -86.851
where: short stacking energy: -36.527
Base-Backbone interact. energy: -0.559
local terms energy: -41.565180
where:
bonds (distance) C4'-P energy: -7.080
bonds (distance) P-C4' energy: -9.352
flat angles C4'-P-C4' energy: -9.397
flat angles P-C4'-P energy: -7.654
tors. eta vs tors. theta energy: -8.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -127.848562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.848562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.848562 (E_RNA)
where:
Base-Base interactions energy: -84.926
where: short stacking energy: -39.185
Base-Backbone interact. energy: -0.007
local terms energy: -42.915061
where:
bonds (distance) C4'-P energy: -10.740
bonds (distance) P-C4' energy: -11.110
flat angles C4'-P-C4' energy: -6.375
flat angles P-C4'-P energy: -5.953
tors. eta vs tors. theta energy: -8.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -127.830835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.830835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.830835 (E_RNA)
where:
Base-Base interactions energy: -87.934
where: short stacking energy: -36.567
Base-Backbone interact. energy: -0.513
local terms energy: -39.383911
where:
bonds (distance) C4'-P energy: -9.263
bonds (distance) P-C4' energy: -6.339
flat angles C4'-P-C4' energy: -10.301
flat angles P-C4'-P energy: -5.721
tors. eta vs tors. theta energy: -7.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -67.487191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.487191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.487191 (E_RNA)
where:
Base-Base interactions energy: -38.342
where: short stacking energy: -20.332
Base-Backbone interact. energy: -0.377
local terms energy: -28.768644
where:
bonds (distance) C4'-P energy: -8.214
bonds (distance) P-C4' energy: -7.132
flat angles C4'-P-C4' energy: -6.364
flat angles P-C4'-P energy: -4.701
tors. eta vs tors. theta energy: -2.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -56.398672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.398672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.398672 (E_RNA)
where:
Base-Base interactions energy: -30.624
where: short stacking energy: -15.625
Base-Backbone interact. energy: -0.055
local terms energy: -25.719266
where:
bonds (distance) C4'-P energy: -7.941
bonds (distance) P-C4' energy: -9.081
flat angles C4'-P-C4' energy: -3.262
flat angles P-C4'-P energy: -2.437
tors. eta vs tors. theta energy: -2.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -143.606219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.606219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.606219 (E_RNA)
where:
Base-Base interactions energy: -96.533
where: short stacking energy: -44.255
Base-Backbone interact. energy: -0.038
local terms energy: -47.035690
where:
bonds (distance) C4'-P energy: -9.582
bonds (distance) P-C4' energy: -10.116
flat angles C4'-P-C4' energy: -9.366
flat angles P-C4'-P energy: -7.746
tors. eta vs tors. theta energy: -10.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -139.868533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.868533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.868533 (E_RNA)
where:
Base-Base interactions energy: -93.556
where: short stacking energy: -42.828
Base-Backbone interact. energy: -1.907
local terms energy: -44.404960
where:
bonds (distance) C4'-P energy: -10.392
bonds (distance) P-C4' energy: -7.129
flat angles C4'-P-C4' energy: -8.708
flat angles P-C4'-P energy: -7.617
tors. eta vs tors. theta energy: -10.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -137.529891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.529891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.529891 (E_RNA)
where:
Base-Base interactions energy: -103.634
where: short stacking energy: -39.822
Base-Backbone interact. energy: -0.415
local terms energy: -33.481083
where:
bonds (distance) C4'-P energy: -4.654
bonds (distance) P-C4' energy: -10.419
flat angles C4'-P-C4' energy: -8.994
flat angles P-C4'-P energy: -1.057
tors. eta vs tors. theta energy: -8.356
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: 4
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -136.250857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.250857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.250857 (E_RNA)
where:
Base-Base interactions energy: -93.153
where: short stacking energy: -40.050
Base-Backbone interact. energy: -0.003
local terms energy: -43.095151
where:
bonds (distance) C4'-P energy: -9.130
bonds (distance) P-C4' energy: -8.643
flat angles C4'-P-C4' energy: -11.045
flat angles P-C4'-P energy: -3.228
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: 5, replica: 3
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -137.422226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.422226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.422226 (E_RNA)
where:
Base-Base interactions energy: -96.073
where: short stacking energy: -40.572
Base-Backbone interact. energy: -1.538
local terms energy: -39.810806
where:
bonds (distance) C4'-P energy: -9.196
bonds (distance) P-C4' energy: -8.429
flat angles C4'-P-C4' energy: -7.053
flat angles P-C4'-P energy: -6.274
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: 6, replica: 10
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -126.577262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.577262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.577262 (E_RNA)
where:
Base-Base interactions energy: -87.202
where: short stacking energy: -36.581
Base-Backbone interact. energy: -0.875
local terms energy: -38.499897
where:
bonds (distance) C4'-P energy: -8.099
bonds (distance) P-C4' energy: -9.858
flat angles C4'-P-C4' energy: -5.967
flat angles P-C4'-P energy: -6.167
tors. eta vs tors. theta energy: -8.409
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: 7, replica: 9
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -127.932484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.932484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.932484 (E_RNA)
where:
Base-Base interactions energy: -82.044
where: short stacking energy: -34.925
Base-Backbone interact. energy: -1.092
local terms energy: -44.796287
where:
bonds (distance) C4'-P energy: -9.983
bonds (distance) P-C4' energy: -8.600
flat angles C4'-P-C4' energy: -9.423
flat angles P-C4'-P energy: -7.821
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: 8, replica: 5
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -131.947092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.947092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.947092 (E_RNA)
where:
Base-Base interactions energy: -90.042
where: short stacking energy: -39.928
Base-Backbone interact. energy: -0.005
local terms energy: -41.900623
where:
bonds (distance) C4'-P energy: -8.261
bonds (distance) P-C4' energy: -8.697
flat angles C4'-P-C4' energy: -8.391
flat angles P-C4'-P energy: -7.865
tors. eta vs tors. theta energy: -8.688
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: 6
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -63.643042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.643042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.643042 (E_RNA)
where:
Base-Base interactions energy: -27.084
where: short stacking energy: -21.369
Base-Backbone interact. energy: -0.014
local terms energy: -36.544820
where:
bonds (distance) C4'-P energy: -8.712
bonds (distance) P-C4' energy: -9.541
flat angles C4'-P-C4' energy: -8.420
flat angles P-C4'-P energy: -6.456
tors. eta vs tors. theta energy: -3.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -56.064190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.064190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.064190 (E_RNA)
where:
Base-Base interactions energy: -23.362
where: short stacking energy: -23.362
Base-Backbone interact. energy: -0.033
local terms energy: -32.669237
where:
bonds (distance) C4'-P energy: -8.795
bonds (distance) P-C4' energy: -10.870
flat angles C4'-P-C4' energy: -4.254
flat angles P-C4'-P energy: -5.290
tors. eta vs tors. theta energy: -3.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -140.595792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.595792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.595792 (E_RNA)
where:
Base-Base interactions energy: -95.617
where: short stacking energy: -46.823
Base-Backbone interact. energy: -0.728
local terms energy: -44.250208
where:
bonds (distance) C4'-P energy: -7.445
bonds (distance) P-C4' energy: -10.656
flat angles C4'-P-C4' energy: -8.716
flat angles P-C4'-P energy: -6.912
tors. eta vs tors. theta energy: -10.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -139.653445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.653445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.653445 (E_RNA)
where:
Base-Base interactions energy: -95.857
where: short stacking energy: -45.468
Base-Backbone interact. energy: -0.022
local terms energy: -43.774860
where:
bonds (distance) C4'-P energy: -8.712
bonds (distance) P-C4' energy: -10.348
flat angles C4'-P-C4' energy: -9.821
flat angles P-C4'-P energy: -4.932
tors. eta vs tors. theta energy: -9.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -140.262932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.262932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.262932 (E_RNA)
where:
Base-Base interactions energy: -95.146
where: short stacking energy: -45.427
Base-Backbone interact. energy: -0.984
local terms energy: -44.132910
where:
bonds (distance) C4'-P energy: -9.967
bonds (distance) P-C4' energy: -8.908
flat angles C4'-P-C4' energy: -8.850
flat angles P-C4'-P energy: -7.277
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: 4, replica: 3
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -136.828850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.828850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.828850 (E_RNA)
where:
Base-Base interactions energy: -91.793
where: short stacking energy: -45.229
Base-Backbone interact. energy: -1.999
local terms energy: -43.037662
where:
bonds (distance) C4'-P energy: -6.918
bonds (distance) P-C4' energy: -10.619
flat angles C4'-P-C4' energy: -9.031
flat angles P-C4'-P energy: -7.249
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: 5, replica: 4
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -132.144983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.144983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.144983 (E_RNA)
where:
Base-Base interactions energy: -91.849
where: short stacking energy: -42.824
Base-Backbone interact. energy: 1.157
local terms energy: -41.453367
where:
bonds (distance) C4'-P energy: -6.369
bonds (distance) P-C4' energy: -9.052
flat angles C4'-P-C4' energy: -10.409
flat angles P-C4'-P energy: -5.517
tors. eta vs tors. theta energy: -10.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -128.622053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.622053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.622053 (E_RNA)
where:
Base-Base interactions energy: -87.642
where: short stacking energy: -40.856
Base-Backbone interact. energy: -0.156
local terms energy: -40.824280
where:
bonds (distance) C4'-P energy: -8.782
bonds (distance) P-C4' energy: -9.833
flat angles C4'-P-C4' energy: -8.665
flat angles P-C4'-P energy: -4.785
tors. eta vs tors. theta energy: -8.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -128.873901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.873901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.873901 (E_RNA)
where:
Base-Base interactions energy: -91.942
where: short stacking energy: -43.627
Base-Backbone interact. energy: -0.446
local terms energy: -36.486702
where:
bonds (distance) C4'-P energy: -8.187
bonds (distance) P-C4' energy: -8.204
flat angles C4'-P-C4' energy: -8.170
flat angles P-C4'-P energy: -4.897
tors. eta vs tors. theta energy: -7.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -71.733824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.733824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.733824 (E_RNA)
where:
Base-Base interactions energy: -34.260
where: short stacking energy: -34.260
Base-Backbone interact. energy: -0.176
local terms energy: -37.297960
where:
bonds (distance) C4'-P energy: -9.167
bonds (distance) P-C4' energy: -8.221
flat angles C4'-P-C4' energy: -10.100
flat angles P-C4'-P energy: -2.087
tors. eta vs tors. theta energy: -7.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -112.063268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.063268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.063268 (E_RNA)
where:
Base-Base interactions energy: -75.180
where: short stacking energy: -38.839
Base-Backbone interact. energy: -0.004
local terms energy: -36.880172
where:
bonds (distance) C4'-P energy: -7.887
bonds (distance) P-C4' energy: -7.617
flat angles C4'-P-C4' energy: -8.034
flat angles P-C4'-P energy: -4.105
tors. eta vs tors. theta energy: -9.237
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: 10, replica: 8
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -56.948360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.948360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.948360 (E_RNA)
where:
Base-Base interactions energy: -26.395
where: short stacking energy: -17.564
Base-Backbone interact. energy: -0.113
local terms energy: -30.440245
where:
bonds (distance) C4'-P energy: -9.867
bonds (distance) P-C4' energy: -10.376
flat angles C4'-P-C4' energy: -7.724
flat angles P-C4'-P energy: -4.582
tors. eta vs tors. theta energy: 2.109
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: 2
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -141.799294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.799294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.799294 (E_RNA)
where:
Base-Base interactions energy: -98.753
where: short stacking energy: -46.693
Base-Backbone interact. energy: -1.277
local terms energy: -41.769648
where:
bonds (distance) C4'-P energy: -5.341
bonds (distance) P-C4' energy: -10.451
flat angles C4'-P-C4' energy: -8.415
flat angles P-C4'-P energy: -9.266
tors. eta vs tors. theta energy: -8.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -139.465673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.465673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.465673 (E_RNA)
where:
Base-Base interactions energy: -94.933
where: short stacking energy: -43.091
Base-Backbone interact. energy: -0.035
local terms energy: -44.497720
where:
bonds (distance) C4'-P energy: -8.808
bonds (distance) P-C4' energy: -10.870
flat angles C4'-P-C4' energy: -8.820
flat angles P-C4'-P energy: -4.626
tors. eta vs tors. theta energy: -11.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -135.883163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.883163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.883163 (E_RNA)
where:
Base-Base interactions energy: -91.479
where: short stacking energy: -42.452
Base-Backbone interact. energy: -0.595
local terms energy: -43.809663
where:
bonds (distance) C4'-P energy: -8.898
bonds (distance) P-C4' energy: -10.419
flat angles C4'-P-C4' energy: -9.874
flat angles P-C4'-P energy: -4.785
tors. eta vs tors. theta energy: -9.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -136.266013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.266013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.266013 (E_RNA)
where:
Base-Base interactions energy: -94.914
where: short stacking energy: -44.792
Base-Backbone interact. energy: -0.010
local terms energy: -41.341497
where:
bonds (distance) C4'-P energy: -10.019
bonds (distance) P-C4' energy: -7.255
flat angles C4'-P-C4' energy: -8.539
flat angles P-C4'-P energy: -5.459
tors. eta vs tors. theta energy: -10.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -132.584299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.584299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.584299 (E_RNA)
where:
Base-Base interactions energy: -89.945
where: short stacking energy: -40.739
Base-Backbone interact. energy: 0.017
local terms energy: -42.656099
where:
bonds (distance) C4'-P energy: -8.811
bonds (distance) P-C4' energy: -8.381
flat angles C4'-P-C4' energy: -8.811
flat angles P-C4'-P energy: -8.338
tors. eta vs tors. theta energy: -8.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -140.975009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.975009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.975009 (E_RNA)
where:
Base-Base interactions energy: -107.487
where: short stacking energy: -41.534
Base-Backbone interact. energy: -0.269
local terms energy: -33.219780
where:
bonds (distance) C4'-P energy: -8.803
bonds (distance) P-C4' energy: -9.506
flat angles C4'-P-C4' energy: -4.933
flat angles P-C4'-P energy: -4.301
tors. eta vs tors. theta energy: -5.677
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: 9
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -129.704016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.704016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.704016 (E_RNA)
where:
Base-Base interactions energy: -95.293
where: short stacking energy: -43.300
Base-Backbone interact. energy: 0.059
local terms energy: -34.469685
where:
bonds (distance) C4'-P energy: -3.751
bonds (distance) P-C4' energy: -9.348
flat angles C4'-P-C4' energy: -6.101
flat angles P-C4'-P energy: -6.393
tors. eta vs tors. theta energy: -8.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -74.664265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.664265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.664265 (E_RNA)
where:
Base-Base interactions energy: -36.876
where: short stacking energy: -36.876
Base-Backbone interact. energy: -0.093
local terms energy: -37.695758
where:
bonds (distance) C4'-P energy: -6.220
bonds (distance) P-C4' energy: -9.463
flat angles C4'-P-C4' energy: -8.517
flat angles P-C4'-P energy: -5.133
tors. eta vs tors. theta energy: -8.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -97.214366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.214366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.214366 (E_RNA)
where:
Base-Base interactions energy: -64.467
where: short stacking energy: -33.774
Base-Backbone interact. energy: 1.253
local terms energy: -33.999946
where:
bonds (distance) C4'-P energy: -7.105
bonds (distance) P-C4' energy: -8.358
flat angles C4'-P-C4' energy: -6.855
flat angles P-C4'-P energy: -6.011
tors. eta vs tors. theta energy: -5.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -55.552091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.552091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.552091 (E_RNA)
where:
Base-Base interactions energy: -29.352
where: short stacking energy: -28.531
Base-Backbone interact. energy: 1.043
local terms energy: -27.243039
where:
bonds (distance) C4'-P energy: -2.987
bonds (distance) P-C4' energy: -7.276
flat angles C4'-P-C4' energy: -7.726
flat angles P-C4'-P energy: -2.817
tors. eta vs tors. theta energy: -6.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -144.735551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.735551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.735551 (E_RNA)
where:
Base-Base interactions energy: -95.995
where: short stacking energy: -45.885
Base-Backbone interact. energy: -0.710
local terms energy: -48.031047
where:
bonds (distance) C4'-P energy: -9.485
bonds (distance) P-C4' energy: -10.380
flat angles C4'-P-C4' energy: -9.946
flat angles P-C4'-P energy: -8.540
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: 2, replica: 1
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -141.608121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.608121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.608121 (E_RNA)
where:
Base-Base interactions energy: -97.006
where: short stacking energy: -48.082
Base-Backbone interact. energy: -1.129
local terms energy: -43.472611
where:
bonds (distance) C4'-P energy: -9.402
bonds (distance) P-C4' energy: -6.805
flat angles C4'-P-C4' energy: -10.268
flat angles P-C4'-P energy: -8.187
tors. eta vs tors. theta energy: -8.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -137.632366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.632366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.632366 (E_RNA)
where:
Base-Base interactions energy: -98.723
where: short stacking energy: -45.980
Base-Backbone interact. energy: -0.343
local terms energy: -38.566090
where:
bonds (distance) C4'-P energy: -2.940
bonds (distance) P-C4' energy: -7.830
flat angles C4'-P-C4' energy: -10.720
flat angles P-C4'-P energy: -6.998
tors. eta vs tors. theta energy: -10.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -138.701236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.701236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.701236 (E_RNA)
where:
Base-Base interactions energy: -98.916
where: short stacking energy: -38.528
Base-Backbone interact. energy: -0.092
local terms energy: -39.692955
where:
bonds (distance) C4'-P energy: -9.382
bonds (distance) P-C4' energy: -10.404
flat angles C4'-P-C4' energy: -8.388
flat angles P-C4'-P energy: -5.218
tors. eta vs tors. theta energy: -6.301
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: 3
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -133.131416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.131416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.131416 (E_RNA)
where:
Base-Base interactions energy: -90.538
where: short stacking energy: -38.461
Base-Backbone interact. energy: -0.670
local terms energy: -41.923817
where:
bonds (distance) C4'-P energy: -9.138
bonds (distance) P-C4' energy: -9.034
flat angles C4'-P-C4' energy: -7.472
flat angles P-C4'-P energy: -8.542
tors. eta vs tors. theta energy: -7.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -137.547051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.547051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.547051 (E_RNA)
where:
Base-Base interactions energy: -89.515
where: short stacking energy: -40.030
Base-Backbone interact. energy: -0.008
local terms energy: -48.024137
where:
bonds (distance) C4'-P energy: -9.805
bonds (distance) P-C4' energy: -11.106
flat angles C4'-P-C4' energy: -11.051
flat angles P-C4'-P energy: -6.775
tors. eta vs tors. theta energy: -9.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -133.348046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.348046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.348046 (E_RNA)
where:
Base-Base interactions energy: -91.147
where: short stacking energy: -40.819
Base-Backbone interact. energy: -0.370
local terms energy: -41.831246
where:
bonds (distance) C4'-P energy: -9.830
bonds (distance) P-C4' energy: -6.285
flat angles C4'-P-C4' energy: -8.346
flat angles P-C4'-P energy: -7.929
tors. eta vs tors. theta energy: -9.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -68.870139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.870139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.870139 (E_RNA)
where:
Base-Base interactions energy: -34.608
where: short stacking energy: -34.608
Base-Backbone interact. energy: -0.026
local terms energy: -34.235498
where:
bonds (distance) C4'-P energy: -9.494
bonds (distance) P-C4' energy: -8.436
flat angles C4'-P-C4' energy: -6.661
flat angles P-C4'-P energy: -2.232
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: 9, replica: 6
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -63.655430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.655430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.655430 (E_RNA)
where:
Base-Base interactions energy: -27.720
where: short stacking energy: -27.720
Base-Backbone interact. energy: -0.001
local terms energy: -35.935058
where:
bonds (distance) C4'-P energy: -8.405
bonds (distance) P-C4' energy: -8.690
flat angles C4'-P-C4' energy: -8.195
flat angles P-C4'-P energy: -4.857
tors. eta vs tors. theta energy: -5.788
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: 119
Temperature: 1.350000
Total energy: -59.966193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.966193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.966193 (E_RNA)
where:
Base-Base interactions energy: -27.138
where: short stacking energy: -26.708
Base-Backbone interact. energy: -0.209
local terms energy: -32.619260
where:
bonds (distance) C4'-P energy: -6.717
bonds (distance) P-C4' energy: -9.862
flat angles C4'-P-C4' energy: -7.707
flat angles P-C4'-P energy: -2.763
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: 1, replica: 2
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -145.374302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.374302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.374302 (E_RNA)
where:
Base-Base interactions energy: -100.097
where: short stacking energy: -41.151
Base-Backbone interact. energy: -0.002
local terms energy: -45.275308
where:
bonds (distance) C4'-P energy: -7.763
bonds (distance) P-C4' energy: -10.855
flat angles C4'-P-C4' energy: -10.418
flat angles P-C4'-P energy: -6.079
tors. eta vs tors. theta energy: -10.160
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: 1
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -138.095975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.095975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.095975 (E_RNA)
where:
Base-Base interactions energy: -93.021
where: short stacking energy: -33.086
Base-Backbone interact. energy: -0.054
local terms energy: -45.021155
where:
bonds (distance) C4'-P energy: -9.859
bonds (distance) P-C4' energy: -9.255
flat angles C4'-P-C4' energy: -9.152
flat angles P-C4'-P energy: -7.860
tors. eta vs tors. theta energy: -8.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -139.315595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.315595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.315595 (E_RNA)
where:
Base-Base interactions energy: -95.920
where: short stacking energy: -44.453
Base-Backbone interact. energy: -1.231
local terms energy: -42.164246
where:
bonds (distance) C4'-P energy: -6.633
bonds (distance) P-C4' energy: -10.877
flat angles C4'-P-C4' energy: -8.685
flat angles P-C4'-P energy: -6.281
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: 4, replica: 7
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -139.783245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.783245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.783245 (E_RNA)
where:
Base-Base interactions energy: -99.298
where: short stacking energy: -44.324
Base-Backbone interact. energy: -0.749
local terms energy: -39.736716
where:
bonds (distance) C4'-P energy: -6.911
bonds (distance) P-C4' energy: -7.233
flat angles C4'-P-C4' energy: -9.278
flat angles P-C4'-P energy: -7.814
tors. eta vs tors. theta energy: -8.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -132.479169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.479169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.479169 (E_RNA)
where:
Base-Base interactions energy: -90.034
where: short stacking energy: -41.852
Base-Backbone interact. energy: -1.169
local terms energy: -41.276590
where:
bonds (distance) C4'-P energy: -7.425
bonds (distance) P-C4' energy: -8.508
flat angles C4'-P-C4' energy: -9.007
flat angles P-C4'-P energy: -5.155
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: 3
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -130.120624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.120624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.120624 (E_RNA)
where:
Base-Base interactions energy: -90.354
where: short stacking energy: -42.150
Base-Backbone interact. energy: -0.277
local terms energy: -39.489579
where:
bonds (distance) C4'-P energy: -8.339
bonds (distance) P-C4' energy: -9.764
flat angles C4'-P-C4' energy: -8.023
flat angles P-C4'-P energy: -2.549
tors. eta vs tors. theta energy: -10.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -126.695713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.695713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.695713 (E_RNA)
where:
Base-Base interactions energy: -86.822
where: short stacking energy: -38.380
Base-Backbone interact. energy: -0.636
local terms energy: -39.238223
where:
bonds (distance) C4'-P energy: -8.338
bonds (distance) P-C4' energy: -9.256
flat angles C4'-P-C4' energy: -8.500
flat angles P-C4'-P energy: -6.306
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: 8, replica: 5
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -70.500314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.500314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.500314 (E_RNA)
where:
Base-Base interactions energy: -28.849
where: short stacking energy: -28.849
Base-Backbone interact. energy: 1.351
local terms energy: -43.002722
where:
bonds (distance) C4'-P energy: -8.588
bonds (distance) P-C4' energy: -8.757
flat angles C4'-P-C4' energy: -8.584
flat angles P-C4'-P energy: -8.519
tors. eta vs tors. theta energy: -8.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -70.505399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.505399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.505399 (E_RNA)
where:
Base-Base interactions energy: -44.142
where: short stacking energy: -19.170
Base-Backbone interact. energy: -0.162
local terms energy: -26.200708
where:
bonds (distance) C4'-P energy: -4.941
bonds (distance) P-C4' energy: -8.312
flat angles C4'-P-C4' energy: -4.977
flat angles P-C4'-P energy: -6.195
tors. eta vs tors. theta energy: -1.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -53.888701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.888701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.888701 (E_RNA)
where:
Base-Base interactions energy: -26.053
where: short stacking energy: -18.628
Base-Backbone interact. energy: -0.049
local terms energy: -27.785829
where:
bonds (distance) C4'-P energy: -9.975
bonds (distance) P-C4' energy: -9.830
flat angles C4'-P-C4' energy: -3.162
flat angles P-C4'-P energy: -3.988
tors. eta vs tors. theta energy: -0.831
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: 1, replica: 2
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -143.253138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.253138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.253138 (E_RNA)
where:
Base-Base interactions energy: -97.861
where: short stacking energy: -45.572
Base-Backbone interact. energy: -0.795
local terms energy: -44.596852
where:
bonds (distance) C4'-P energy: -7.061
bonds (distance) P-C4' energy: -10.180
flat angles C4'-P-C4' energy: -8.686
flat angles P-C4'-P energy: -8.663
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: 2, replica: 10
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -136.625625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.625625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.625625 (E_RNA)
where:
Base-Base interactions energy: -96.142
where: short stacking energy: -43.306
Base-Backbone interact. energy: -1.219
local terms energy: -39.264840
where:
bonds (distance) C4'-P energy: -7.039
bonds (distance) P-C4' energy: -7.436
flat angles C4'-P-C4' energy: -9.425
flat angles P-C4'-P energy: -7.663
tors. eta vs tors. theta energy: -7.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -141.507893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.507893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.507893 (E_RNA)
where:
Base-Base interactions energy: -98.227
where: short stacking energy: -46.110
Base-Backbone interact. energy: -1.533
local terms energy: -41.747044
where:
bonds (distance) C4'-P energy: -10.268
bonds (distance) P-C4' energy: -7.675
flat angles C4'-P-C4' energy: -8.281
flat angles P-C4'-P energy: -7.165
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: 4, replica: 9
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -136.509647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.509647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.509647 (E_RNA)
where:
Base-Base interactions energy: -90.584
where: short stacking energy: -44.488
Base-Backbone interact. energy: -0.022
local terms energy: -45.903087
where:
bonds (distance) C4'-P energy: -9.060
bonds (distance) P-C4' energy: -9.936
flat angles C4'-P-C4' energy: -10.190
flat angles P-C4'-P energy: -6.083
tors. eta vs tors. theta energy: -10.634
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: 121
Temperature: 1.100000
Total energy: -134.723404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.723404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.723404 (E_RNA)
where:
Base-Base interactions energy: -97.928
where: short stacking energy: -42.889
Base-Backbone interact. energy: -0.767
local terms energy: -36.028731
where:
bonds (distance) C4'-P energy: -6.111
bonds (distance) P-C4' energy: -6.290
flat angles C4'-P-C4' energy: -6.437
flat angles P-C4'-P energy: -6.512
tors. eta vs tors. theta energy: -10.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -129.062539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.062539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.062539 (E_RNA)
where:
Base-Base interactions energy: -92.331
where: short stacking energy: -41.710
Base-Backbone interact. energy: -0.305
local terms energy: -36.427006
where:
bonds (distance) C4'-P energy: -8.119
bonds (distance) P-C4' energy: -7.123
flat angles C4'-P-C4' energy: -7.980
flat angles P-C4'-P energy: -2.220
tors. eta vs tors. theta energy: -10.985
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: 7, replica: 4
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -127.546848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.546848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.546848 (E_RNA)
where:
Base-Base interactions energy: -88.403
where: short stacking energy: -37.383
Base-Backbone interact. energy: -0.539
local terms energy: -38.605474
where:
bonds (distance) C4'-P energy: -6.918
bonds (distance) P-C4' energy: -8.815
flat angles C4'-P-C4' energy: -9.603
flat angles P-C4'-P energy: -6.465
tors. eta vs tors. theta energy: -6.805
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: 8, replica: 8
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -74.401493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.401493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.401493 (E_RNA)
where:
Base-Base interactions energy: -42.679
where: short stacking energy: -23.633
Base-Backbone interact. energy: 1.388
local terms energy: -33.110091
where:
bonds (distance) C4'-P energy: -6.075
bonds (distance) P-C4' energy: -8.876
flat angles C4'-P-C4' energy: -9.848
flat angles P-C4'-P energy: -3.191
tors. eta vs tors. theta energy: -5.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -68.077562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.077562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.077562 (E_RNA)
where:
Base-Base interactions energy: -36.020
where: short stacking energy: -34.010
Base-Backbone interact. energy: -0.021
local terms energy: -32.036012
where:
bonds (distance) C4'-P energy: -5.534
bonds (distance) P-C4' energy: -6.187
flat angles C4'-P-C4' energy: -6.987
flat angles P-C4'-P energy: -6.574
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: 10, replica: 6
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -62.619799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.619799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.619799 (E_RNA)
where:
Base-Base interactions energy: -29.949
where: short stacking energy: -29.949
Base-Backbone interact. energy: -0.094
local terms energy: -32.576630
where:
bonds (distance) C4'-P energy: -4.728
bonds (distance) P-C4' energy: -9.367
flat angles C4'-P-C4' energy: -7.940
flat angles P-C4'-P energy: -3.202
tors. eta vs tors. theta energy: -7.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -141.899069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.899069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.899069 (E_RNA)
where:
Base-Base interactions energy: -97.513
where: short stacking energy: -45.524
Base-Backbone interact. energy: -1.050
local terms energy: -43.336430
where:
bonds (distance) C4'-P energy: -9.097
bonds (distance) P-C4' energy: -9.063
flat angles C4'-P-C4' energy: -9.660
flat angles P-C4'-P energy: -6.629
tors. eta vs tors. theta energy: -8.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -142.840710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.840710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.840710 (E_RNA)
where:
Base-Base interactions energy: -98.147
where: short stacking energy: -45.783
Base-Backbone interact. energy: -1.183
local terms energy: -43.511002
where:
bonds (distance) C4'-P energy: -9.573
bonds (distance) P-C4' energy: -7.710
flat angles C4'-P-C4' energy: -7.770
flat angles P-C4'-P energy: -8.476
tors. eta vs tors. theta energy: -9.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -141.972385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.972385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.972385 (E_RNA)
where:
Base-Base interactions energy: -96.786
where: short stacking energy: -45.731
Base-Backbone interact. energy: -0.471
local terms energy: -44.714504
where:
bonds (distance) C4'-P energy: -7.859
bonds (distance) P-C4' energy: -9.942
flat angles C4'-P-C4' energy: -9.226
flat angles P-C4'-P energy: -6.220
tors. eta vs tors. theta energy: -11.468
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: 1
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -137.851033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.851033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.851033 (E_RNA)
where:
Base-Base interactions energy: -103.290
where: short stacking energy: -41.450
Base-Backbone interact. energy: 0.828
local terms energy: -35.388854
where:
bonds (distance) C4'-P energy: -7.577
bonds (distance) P-C4' energy: -8.062
flat angles C4'-P-C4' energy: -9.703
flat angles P-C4'-P energy: -1.008
tors. eta vs tors. theta energy: -9.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -130.776141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.776141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.776141 (E_RNA)
where:
Base-Base interactions energy: -87.533
where: short stacking energy: -33.734
Base-Backbone interact. energy: -1.274
local terms energy: -41.969162
where:
bonds (distance) C4'-P energy: -9.200
bonds (distance) P-C4' energy: -10.906
flat angles C4'-P-C4' energy: -6.168
flat angles P-C4'-P energy: -6.630
tors. eta vs tors. theta energy: -9.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -130.890973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.890973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.890973 (E_RNA)
where:
Base-Base interactions energy: -90.469
where: short stacking energy: -42.083
Base-Backbone interact. energy: -0.002
local terms energy: -40.419946
where:
bonds (distance) C4'-P energy: -8.944
bonds (distance) P-C4' energy: -7.132
flat angles C4'-P-C4' energy: -8.011
flat angles P-C4'-P energy: -6.519
tors. eta vs tors. theta energy: -9.815
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: 4
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -131.045356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.045356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.045356 (E_RNA)
where:
Base-Base interactions energy: -91.965
where: short stacking energy: -42.210
Base-Backbone interact. energy: -0.003
local terms energy: -39.077948
where:
bonds (distance) C4'-P energy: -7.506
bonds (distance) P-C4' energy: -9.812
flat angles C4'-P-C4' energy: -9.652
flat angles P-C4'-P energy: -4.056
tors. eta vs tors. theta energy: -8.051
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: 122
Temperature: 1.250000
Total energy: -64.147159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.147159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.147159 (E_RNA)
where:
Base-Base interactions energy: -27.984
where: short stacking energy: -27.984
Base-Backbone interact. energy: -0.051
local terms energy: -36.111732
where:
bonds (distance) C4'-P energy: -7.179
bonds (distance) P-C4' energy: -8.608
flat angles C4'-P-C4' energy: -6.505
flat angles P-C4'-P energy: -7.793
tors. eta vs tors. theta energy: -6.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -55.720086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.720086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.720086 (E_RNA)
where:
Base-Base interactions energy: -18.287
where: short stacking energy: -18.287
Base-Backbone interact. energy: -0.058
local terms energy: -37.374855
where:
bonds (distance) C4'-P energy: -10.036
bonds (distance) P-C4' energy: -10.680
flat angles C4'-P-C4' energy: -8.246
flat angles P-C4'-P energy: -5.833
tors. eta vs tors. theta energy: -2.579
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: 5
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -54.905706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.905706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.905706 (E_RNA)
where:
Base-Base interactions energy: -23.885
where: short stacking energy: -22.025
Base-Backbone interact. energy: -0.153
local terms energy: -30.867857
where:
bonds (distance) C4'-P energy: -8.455
bonds (distance) P-C4' energy: -7.312
flat angles C4'-P-C4' energy: -8.984
flat angles P-C4'-P energy: -5.833
tors. eta vs tors. theta energy: -0.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -143.869913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.869913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.869913 (E_RNA)
where:
Base-Base interactions energy: -97.430
where: short stacking energy: -46.243
Base-Backbone interact. energy: -0.576
local terms energy: -45.863831
where:
bonds (distance) C4'-P energy: -9.805
bonds (distance) P-C4' energy: -8.113
flat angles C4'-P-C4' energy: -11.512
flat angles P-C4'-P energy: -7.312
tors. eta vs tors. theta energy: -9.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -138.364507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.364507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.364507 (E_RNA)
where:
Base-Base interactions energy: -93.093
where: short stacking energy: -42.189
Base-Backbone interact. energy: -1.260
local terms energy: -44.012250
where:
bonds (distance) C4'-P energy: -9.353
bonds (distance) P-C4' energy: -8.978
flat angles C4'-P-C4' energy: -9.284
flat angles P-C4'-P energy: -7.003
tors. eta vs tors. theta energy: -9.394
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: 123
Temperature: 1.000000
Total energy: -139.030297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.030297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.030297 (E_RNA)
where:
Base-Base interactions energy: -94.164
where: short stacking energy: -43.567
Base-Backbone interact. energy: -0.437
local terms energy: -44.428677
where:
bonds (distance) C4'-P energy: -7.275
bonds (distance) P-C4' energy: -8.784
flat angles C4'-P-C4' energy: -10.472
flat angles P-C4'-P energy: -7.360
tors. eta vs tors. theta energy: -10.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -137.955943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.955943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.955943 (E_RNA)
where:
Base-Base interactions energy: -103.880
where: short stacking energy: -40.954
Base-Backbone interact. energy: 1.252
local terms energy: -35.328270
where:
bonds (distance) C4'-P energy: -8.616
bonds (distance) P-C4' energy: -8.279
flat angles C4'-P-C4' energy: -7.212
flat angles P-C4'-P energy: -1.002
tors. eta vs tors. theta energy: -10.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -127.145396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.145396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.145396 (E_RNA)
where:
Base-Base interactions energy: -88.299
where: short stacking energy: -43.898
Base-Backbone interact. energy: -0.060
local terms energy: -38.787072
where:
bonds (distance) C4'-P energy: -7.565
bonds (distance) P-C4' energy: -9.754
flat angles C4'-P-C4' energy: -7.616
flat angles P-C4'-P energy: -6.529
tors. eta vs tors. theta energy: -7.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -124.089977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.089977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.089977 (E_RNA)
where:
Base-Base interactions energy: -87.178
where: short stacking energy: -40.211
Base-Backbone interact. energy: -0.604
local terms energy: -36.307789
where:
bonds (distance) C4'-P energy: -7.147
bonds (distance) P-C4' energy: -8.362
flat angles C4'-P-C4' energy: -9.914
flat angles P-C4'-P energy: -4.210
tors. eta vs tors. theta energy: -6.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -127.765151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.765151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.765151 (E_RNA)
where:
Base-Base interactions energy: -90.689
where: short stacking energy: -38.150
Base-Backbone interact. energy: -0.006
local terms energy: -37.070547
where:
bonds (distance) C4'-P energy: -4.861
bonds (distance) P-C4' energy: -11.138
flat angles C4'-P-C4' energy: -8.659
flat angles P-C4'-P energy: -4.457
tors. eta vs tors. theta energy: -7.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -66.201819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.201819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.201819 (E_RNA)
where:
Base-Base interactions energy: -34.163
where: short stacking energy: -24.462
Base-Backbone interact. energy: -0.025
local terms energy: -32.013481
where:
bonds (distance) C4'-P energy: -8.380
bonds (distance) P-C4' energy: -8.203
flat angles C4'-P-C4' energy: -10.267
flat angles P-C4'-P energy: -3.756
tors. eta vs tors. theta energy: -1.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -65.474303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.474303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.474303 (E_RNA)
where:
Base-Base interactions energy: -39.299
where: short stacking energy: -20.958
Base-Backbone interact. energy: -0.145
local terms energy: -26.030158
where:
bonds (distance) C4'-P energy: -8.066
bonds (distance) P-C4' energy: -7.918
flat angles C4'-P-C4' energy: -8.500
flat angles P-C4'-P energy: 0.258
tors. eta vs tors. theta energy: -1.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -68.915031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.915031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.915031 (E_RNA)
where:
Base-Base interactions energy: -33.925
where: short stacking energy: -32.008
Base-Backbone interact. energy: -0.014
local terms energy: -34.976185
where:
bonds (distance) C4'-P energy: -5.028
bonds (distance) P-C4' energy: -8.401
flat angles C4'-P-C4' energy: -9.287
flat angles P-C4'-P energy: -5.530
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: 1, replica: 2
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -142.643309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.643309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.643309 (E_RNA)
where:
Base-Base interactions energy: -95.227
where: short stacking energy: -45.173
Base-Backbone interact. energy: -1.494
local terms energy: -45.922896
where:
bonds (distance) C4'-P energy: -10.135
bonds (distance) P-C4' energy: -9.647
flat angles C4'-P-C4' energy: -10.438
flat angles P-C4'-P energy: -6.915
tors. eta vs tors. theta energy: -8.787
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: 2, replica: 10
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -143.169073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.169073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.169073 (E_RNA)
where:
Base-Base interactions energy: -93.835
where: short stacking energy: -45.143
Base-Backbone interact. energy: -1.239
local terms energy: -48.095356
where:
bonds (distance) C4'-P energy: -9.477
bonds (distance) P-C4' energy: -10.351
flat angles C4'-P-C4' energy: -9.117
flat angles P-C4'-P energy: -7.405
tors. eta vs tors. theta energy: -11.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -145.221060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.221060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.221060 (E_RNA)
where:
Base-Base interactions energy: -100.941
where: short stacking energy: -49.092
Base-Backbone interact. energy: -1.903
local terms energy: -42.376958
where:
bonds (distance) C4'-P energy: -10.223
bonds (distance) P-C4' energy: -9.154
flat angles C4'-P-C4' energy: -7.801
flat angles P-C4'-P energy: -5.230
tors. eta vs tors. theta energy: -9.970
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: 3
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -133.286684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.286684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.286684 (E_RNA)
where:
Base-Base interactions energy: -90.179
where: short stacking energy: -39.503
Base-Backbone interact. energy: -1.086
local terms energy: -42.021831
where:
bonds (distance) C4'-P energy: -10.748
bonds (distance) P-C4' energy: -10.380
flat angles C4'-P-C4' energy: -7.914
flat angles P-C4'-P energy: -7.183
tors. eta vs tors. theta energy: -5.798
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: 124
Temperature: 1.100000
Total energy: -138.091678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.091678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.091678 (E_RNA)
where:
Base-Base interactions energy: -93.963
where: short stacking energy: -44.368
Base-Backbone interact. energy: -2.132
local terms energy: -41.996135
where:
bonds (distance) C4'-P energy: -7.159
bonds (distance) P-C4' energy: -8.883
flat angles C4'-P-C4' energy: -8.755
flat angles P-C4'-P energy: -6.996
tors. eta vs tors. theta energy: -10.204
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: 6, replica: 1
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -132.266766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.266766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.266766 (E_RNA)
where:
Base-Base interactions energy: -89.911
where: short stacking energy: -41.689
Base-Backbone interact. energy: -0.560
local terms energy: -41.795794
where:
bonds (distance) C4'-P energy: -8.351
bonds (distance) P-C4' energy: -10.895
flat angles C4'-P-C4' energy: -7.185
flat angles P-C4'-P energy: -5.304
tors. eta vs tors. theta energy: -10.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -125.635183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.635183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.635183 (E_RNA)
where:
Base-Base interactions energy: -88.551
where: short stacking energy: -36.626
Base-Backbone interact. energy: -0.201
local terms energy: -36.882734
where:
bonds (distance) C4'-P energy: -5.822
bonds (distance) P-C4' energy: -10.870
flat angles C4'-P-C4' energy: -10.483
flat angles P-C4'-P energy: 0.282
tors. eta vs tors. theta energy: -9.990
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: 8, replica: 6
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -56.480860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.480860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.480860 (E_RNA)
where:
Base-Base interactions energy: -26.746
where: short stacking energy: -26.746
Base-Backbone interact. energy: -0.016
local terms energy: -29.719411
where:
bonds (distance) C4'-P energy: -7.255
bonds (distance) P-C4' energy: -5.920
flat angles C4'-P-C4' energy: -9.377
flat angles P-C4'-P energy: -0.546
tors. eta vs tors. theta energy: -6.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -68.366192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.366192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.366192 (E_RNA)
where:
Base-Base interactions energy: -34.338
where: short stacking energy: -34.338
Base-Backbone interact. energy: -0.003
local terms energy: -34.025813
where:
bonds (distance) C4'-P energy: -2.684
bonds (distance) P-C4' energy: -9.420
flat angles C4'-P-C4' energy: -10.330
flat angles P-C4'-P energy: -4.630
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: 10, replica: 8
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -69.824858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.824858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.824858 (E_RNA)
where:
Base-Base interactions energy: -41.459
where: short stacking energy: -16.271
Base-Backbone interact. energy: -0.439
local terms energy: -27.926468
where:
bonds (distance) C4'-P energy: -6.576
bonds (distance) P-C4' energy: -7.150
flat angles C4'-P-C4' energy: -6.620
flat angles P-C4'-P energy: -4.299
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: 1, replica: 2
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -142.732854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.732854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.732854 (E_RNA)
where:
Base-Base interactions energy: -100.877
where: short stacking energy: -47.218
Base-Backbone interact. energy: -0.248
local terms energy: -41.607817
where:
bonds (distance) C4'-P energy: -7.917
bonds (distance) P-C4' energy: -9.485
flat angles C4'-P-C4' energy: -9.966
flat angles P-C4'-P energy: -4.917
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: 2, replica: 9
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -140.271977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.271977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.271977 (E_RNA)
where:
Base-Base interactions energy: -97.659
where: short stacking energy: -46.851
Base-Backbone interact. energy: -1.149
local terms energy: -41.464332
where:
bonds (distance) C4'-P energy: -7.710
bonds (distance) P-C4' energy: -9.761
flat angles C4'-P-C4' energy: -7.513
flat angles P-C4'-P energy: -7.882
tors. eta vs tors. theta energy: -8.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -137.399526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.399526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.399526 (E_RNA)
where:
Base-Base interactions energy: -94.602
where: short stacking energy: -44.800
Base-Backbone interact. energy: -1.092
local terms energy: -41.704704
where:
bonds (distance) C4'-P energy: -9.573
bonds (distance) P-C4' energy: -9.503
flat angles C4'-P-C4' energy: -7.366
flat angles P-C4'-P energy: -4.737
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: 4, replica: 7
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -143.943125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.943125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.943125 (E_RNA)
where:
Base-Base interactions energy: -96.736
where: short stacking energy: -46.139
Base-Backbone interact. energy: -1.112
local terms energy: -46.094377
where:
bonds (distance) C4'-P energy: -8.393
bonds (distance) P-C4' energy: -9.767
flat angles C4'-P-C4' energy: -10.576
flat angles P-C4'-P energy: -6.878
tors. eta vs tors. theta energy: -10.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -133.200332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.200332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.200332 (E_RNA)
where:
Base-Base interactions energy: -88.846
where: short stacking energy: -38.956
Base-Backbone interact. energy: -0.004
local terms energy: -44.350210
where:
bonds (distance) C4'-P energy: -9.402
bonds (distance) P-C4' energy: -10.870
flat angles C4'-P-C4' energy: -10.918
flat angles P-C4'-P energy: -5.514
tors. eta vs tors. theta energy: -7.647
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: 6, replica: 4
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -132.499914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.499914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.499914 (E_RNA)
where:
Base-Base interactions energy: -93.969
where: short stacking energy: -42.571
Base-Backbone interact. energy: -0.019
local terms energy: -38.512578
where:
bonds (distance) C4'-P energy: -6.227
bonds (distance) P-C4' energy: -10.140
flat angles C4'-P-C4' energy: -8.618
flat angles P-C4'-P energy: -5.388
tors. eta vs tors. theta energy: -8.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -130.362133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.362133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.362133 (E_RNA)
where:
Base-Base interactions energy: -90.867
where: short stacking energy: -40.306
Base-Backbone interact. energy: 0.277
local terms energy: -39.772254
where:
bonds (distance) C4'-P energy: -6.886
bonds (distance) P-C4' energy: -7.889
flat angles C4'-P-C4' energy: -9.728
flat angles P-C4'-P energy: -6.110
tors. eta vs tors. theta energy: -9.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -67.423929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.423929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.423929 (E_RNA)
where:
Base-Base interactions energy: -27.225
where: short stacking energy: -27.225
Base-Backbone interact. energy: -0.060
local terms energy: -40.139027
where:
bonds (distance) C4'-P energy: -9.246
bonds (distance) P-C4' energy: -11.600
flat angles C4'-P-C4' energy: -8.691
flat angles P-C4'-P energy: -6.135
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: 9, replica: 6
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -60.911572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.911572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.911572 (E_RNA)
where:
Base-Base interactions energy: -24.912
where: short stacking energy: -24.912
Base-Backbone interact. energy: -0.078
local terms energy: -35.921716
where:
bonds (distance) C4'-P energy: -9.751
bonds (distance) P-C4' energy: -9.334
flat angles C4'-P-C4' energy: -10.133
flat angles P-C4'-P energy: -5.497
tors. eta vs tors. theta energy: -1.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -66.727285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.727285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.727285 (E_RNA)
where:
Base-Base interactions energy: -38.425
where: short stacking energy: -22.796
Base-Backbone interact. energy: -0.067
local terms energy: -28.235054
where:
bonds (distance) C4'-P energy: -4.414
bonds (distance) P-C4' energy: -6.528
flat angles C4'-P-C4' energy: -8.382
flat angles P-C4'-P energy: -4.990
tors. eta vs tors. theta energy: -3.921
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: 9
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -142.091969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.091969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.091969 (E_RNA)
where:
Base-Base interactions energy: -95.689
where: short stacking energy: -43.657
Base-Backbone interact. energy: -1.453
local terms energy: -44.950073
where:
bonds (distance) C4'-P energy: -7.470
bonds (distance) P-C4' energy: -11.131
flat angles C4'-P-C4' energy: -9.634
flat angles P-C4'-P energy: -7.710
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: 2, replica: 2
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -139.974061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.974061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.974061 (E_RNA)
where:
Base-Base interactions energy: -95.166
where: short stacking energy: -43.942
Base-Backbone interact. energy: -0.001
local terms energy: -44.807063
where:
bonds (distance) C4'-P energy: -10.454
bonds (distance) P-C4' energy: -10.383
flat angles C4'-P-C4' energy: -9.124
flat angles P-C4'-P energy: -5.753
tors. eta vs tors. theta energy: -9.092
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: 7
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -133.872011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.872011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.872011 (E_RNA)
where:
Base-Base interactions energy: -89.888
where: short stacking energy: -39.637
Base-Backbone interact. energy: -0.349
local terms energy: -43.634249
where:
bonds (distance) C4'-P energy: -9.237
bonds (distance) P-C4' energy: -10.172
flat angles C4'-P-C4' energy: -9.771
flat angles P-C4'-P energy: -5.930
tors. eta vs tors. theta energy: -8.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -137.329640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.329640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.329640 (E_RNA)
where:
Base-Base interactions energy: -94.878
where: short stacking energy: -41.190
Base-Backbone interact. energy: -0.315
local terms energy: -42.136542
where:
bonds (distance) C4'-P energy: -9.867
bonds (distance) P-C4' energy: -8.341
flat angles C4'-P-C4' energy: -9.394
flat angles P-C4'-P energy: -4.896
tors. eta vs tors. theta energy: -9.640
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: 3
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -129.681129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.681129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.681129 (E_RNA)
where:
Base-Base interactions energy: -88.484
where: short stacking energy: -42.254
Base-Backbone interact. energy: -0.016
local terms energy: -41.180890
where:
bonds (distance) C4'-P energy: -6.252
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -11.074
flat angles P-C4'-P energy: -8.220
tors. eta vs tors. theta energy: -8.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -133.228025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.228025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.228025 (E_RNA)
where:
Base-Base interactions energy: -89.578
where: short stacking energy: -38.124
Base-Backbone interact. energy: -2.051
local terms energy: -41.598645
where:
bonds (distance) C4'-P energy: -8.178
bonds (distance) P-C4' energy: -10.867
flat angles C4'-P-C4' energy: -7.379
flat angles P-C4'-P energy: -5.790
tors. eta vs tors. theta energy: -9.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -125.144937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.144937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.144937 (E_RNA)
where:
Base-Base interactions energy: -87.284
where: short stacking energy: -38.698
Base-Backbone interact. energy: 0.311
local terms energy: -38.172051
where:
bonds (distance) C4'-P energy: -6.578
bonds (distance) P-C4' energy: -9.579
flat angles C4'-P-C4' energy: -8.223
flat angles P-C4'-P energy: -6.420
tors. eta vs tors. theta energy: -7.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -66.645221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.645221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.645221 (E_RNA)
where:
Base-Base interactions energy: -29.057
where: short stacking energy: -29.057
Base-Backbone interact. energy: -0.563
local terms energy: -37.025237
where:
bonds (distance) C4'-P energy: -9.593
bonds (distance) P-C4' energy: -8.643
flat angles C4'-P-C4' energy: -9.008
flat angles P-C4'-P energy: -4.792
tors. eta vs tors. theta energy: -4.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -61.717385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.717385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.717385 (E_RNA)
where:
Base-Base interactions energy: -32.264
where: short stacking energy: -20.941
Base-Backbone interact. energy: -0.160
local terms energy: -29.293035
where:
bonds (distance) C4'-P energy: -6.584
bonds (distance) P-C4' energy: -8.904
flat angles C4'-P-C4' energy: -8.049
flat angles P-C4'-P energy: -3.312
tors. eta vs tors. theta energy: -2.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -52.049454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.049454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.049454 (E_RNA)
where:
Base-Base interactions energy: -22.552
where: short stacking energy: -15.877
Base-Backbone interact. energy: -0.235
local terms energy: -29.261760
where:
bonds (distance) C4'-P energy: -7.933
bonds (distance) P-C4' energy: -5.644
flat angles C4'-P-C4' energy: -9.169
flat angles P-C4'-P energy: -7.242
tors. eta vs tors. theta energy: 0.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -142.797255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.797255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.797255 (E_RNA)
where:
Base-Base interactions energy: -97.835
where: short stacking energy: -45.630
Base-Backbone interact. energy: -1.906
local terms energy: -43.056119
where:
bonds (distance) C4'-P energy: -7.324
bonds (distance) P-C4' energy: -9.379
flat angles C4'-P-C4' energy: -9.203
flat angles P-C4'-P energy: -5.666
tors. eta vs tors. theta energy: -11.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -137.396687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.396687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.396687 (E_RNA)
where:
Base-Base interactions energy: -91.061
where: short stacking energy: -40.616
Base-Backbone interact. energy: -0.245
local terms energy: -46.091106
where:
bonds (distance) C4'-P energy: -9.983
bonds (distance) P-C4' energy: -11.364
flat angles C4'-P-C4' energy: -9.609
flat angles P-C4'-P energy: -5.850
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: 3, replica: 2
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -138.591243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.591243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.591243 (E_RNA)
where:
Base-Base interactions energy: -100.974
where: short stacking energy: -42.633
Base-Backbone interact. energy: -0.038
local terms energy: -37.579484
where:
bonds (distance) C4'-P energy: -7.365
bonds (distance) P-C4' energy: -7.374
flat angles C4'-P-C4' energy: -8.975
flat angles P-C4'-P energy: -5.190
tors. eta vs tors. theta energy: -8.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -137.004475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.004475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.004475 (E_RNA)
where:
Base-Base interactions energy: -93.420
where: short stacking energy: -44.148
Base-Backbone interact. energy: -1.652
local terms energy: -41.932806
where:
bonds (distance) C4'-P energy: -8.563
bonds (distance) P-C4' energy: -8.475
flat angles C4'-P-C4' energy: -7.535
flat angles P-C4'-P energy: -5.422
tors. eta vs tors. theta energy: -11.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -132.826026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.826026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.826026 (E_RNA)
where:
Base-Base interactions energy: -97.309
where: short stacking energy: -46.043
Base-Backbone interact. energy: -0.295
local terms energy: -35.222624
where:
bonds (distance) C4'-P energy: -7.291
bonds (distance) P-C4' energy: -8.675
flat angles C4'-P-C4' energy: -4.912
flat angles P-C4'-P energy: -4.758
tors. eta vs tors. theta energy: -9.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -133.314025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.314025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.314025 (E_RNA)
where:
Base-Base interactions energy: -100.440
where: short stacking energy: -41.637
Base-Backbone interact. energy: -0.008
local terms energy: -32.866614
where:
bonds (distance) C4'-P energy: -7.367
bonds (distance) P-C4' energy: -9.122
flat angles C4'-P-C4' energy: -6.689
flat angles P-C4'-P energy: -0.408
tors. eta vs tors. theta energy: -9.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -133.530524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.530524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.530524 (E_RNA)
where:
Base-Base interactions energy: -90.422
where: short stacking energy: -39.963
Base-Backbone interact. energy: -0.006
local terms energy: -43.103090
where:
bonds (distance) C4'-P energy: -5.686
bonds (distance) P-C4' energy: -10.588
flat angles C4'-P-C4' energy: -7.328
flat angles P-C4'-P energy: -9.140
tors. eta vs tors. theta energy: -10.361
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: 127
Temperature: 1.250000
Total energy: -64.620228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.620228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.620228 (E_RNA)
where:
Base-Base interactions energy: -39.968
where: short stacking energy: -19.485
Base-Backbone interact. energy: 2.030
local terms energy: -26.682628
where:
bonds (distance) C4'-P energy: -8.794
bonds (distance) P-C4' energy: -2.712
flat angles C4'-P-C4' energy: -9.860
flat angles P-C4'-P energy: -5.588
tors. eta vs tors. theta energy: 0.271
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: 9, replica: 5
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -63.397028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.397028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.397028 (E_RNA)
where:
Base-Base interactions energy: -32.928
where: short stacking energy: -26.861
Base-Backbone interact. energy: -0.098
local terms energy: -30.371493
where:
bonds (distance) C4'-P energy: -9.325
bonds (distance) P-C4' energy: -9.122
flat angles C4'-P-C4' energy: -7.344
flat angles P-C4'-P energy: -3.331
tors. eta vs tors. theta energy: -1.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -57.715357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.715357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.715357 (E_RNA)
where:
Base-Base interactions energy: -26.269
where: short stacking energy: -19.792
Base-Backbone interact. energy: -0.087
local terms energy: -31.359052
where:
bonds (distance) C4'-P energy: -9.797
bonds (distance) P-C4' energy: -7.720
flat angles C4'-P-C4' energy: -5.518
flat angles P-C4'-P energy: -6.602
tors. eta vs tors. theta energy: -1.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -146.793818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.793818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.793818 (E_RNA)
where:
Base-Base interactions energy: -97.909
where: short stacking energy: -47.416
Base-Backbone interact. energy: -1.342
local terms energy: -47.542684
where:
bonds (distance) C4'-P energy: -8.012
bonds (distance) P-C4' energy: -11.339
flat angles C4'-P-C4' energy: -10.185
flat angles P-C4'-P energy: -7.672
tors. eta vs tors. theta energy: -10.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -143.060146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.060146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.060146 (E_RNA)
where:
Base-Base interactions energy: -97.812
where: short stacking energy: -45.644
Base-Backbone interact. energy: -0.048
local terms energy: -45.200357
where:
bonds (distance) C4'-P energy: -8.827
bonds (distance) P-C4' energy: -8.759
flat angles C4'-P-C4' energy: -9.913
flat angles P-C4'-P energy: -6.674
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: 3, replica: 10
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -138.567850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.567850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.567850 (E_RNA)
where:
Base-Base interactions energy: -94.626
where: short stacking energy: -38.860
Base-Backbone interact. energy: -0.705
local terms energy: -43.236409
where:
bonds (distance) C4'-P energy: -8.658
bonds (distance) P-C4' energy: -11.138
flat angles C4'-P-C4' energy: -7.757
flat angles P-C4'-P energy: -8.382
tors. eta vs tors. theta energy: -7.301
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: 4, replica: 2
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -137.868041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.868041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.868041 (E_RNA)
where:
Base-Base interactions energy: -95.158
where: short stacking energy: -41.004
Base-Backbone interact. energy: -1.000
local terms energy: -41.709574
where:
bonds (distance) C4'-P energy: -8.794
bonds (distance) P-C4' energy: -10.293
flat angles C4'-P-C4' energy: -8.620
flat angles P-C4'-P energy: -7.684
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: 5, replica: 3
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -137.415037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.415037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.415037 (E_RNA)
where:
Base-Base interactions energy: -90.673
where: short stacking energy: -43.038
Base-Backbone interact. energy: -0.001
local terms energy: -46.741487
where:
bonds (distance) C4'-P energy: -10.215
bonds (distance) P-C4' energy: -11.134
flat angles C4'-P-C4' energy: -7.509
flat angles P-C4'-P energy: -8.297
tors. eta vs tors. theta energy: -9.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -131.060108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.060108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.060108 (E_RNA)
where:
Base-Base interactions energy: -89.824
where: short stacking energy: -41.728
Base-Backbone interact. energy: -0.025
local terms energy: -41.211005
where:
bonds (distance) C4'-P energy: -7.420
bonds (distance) P-C4' energy: -7.889
flat angles C4'-P-C4' energy: -10.581
flat angles P-C4'-P energy: -5.964
tors. eta vs tors. theta energy: -9.357
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: 7, replica: 4
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -124.443949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.443949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.443949 (E_RNA)
where:
Base-Base interactions energy: -87.563
where: short stacking energy: -37.869
Base-Backbone interact. energy: 0.785
local terms energy: -37.666037
where:
bonds (distance) C4'-P energy: -7.349
bonds (distance) P-C4' energy: -10.867
flat angles C4'-P-C4' energy: -5.931
flat angles P-C4'-P energy: -7.927
tors. eta vs tors. theta energy: -5.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -69.494560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.494560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.494560 (E_RNA)
where:
Base-Base interactions energy: -36.021
where: short stacking energy: -29.029
Base-Backbone interact. energy: -0.065
local terms energy: -33.408302
where:
bonds (distance) C4'-P energy: -6.389
bonds (distance) P-C4' energy: -7.195
flat angles C4'-P-C4' energy: -7.693
flat angles P-C4'-P energy: -5.899
tors. eta vs tors. theta energy: -6.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -70.114703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.114703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.114703 (E_RNA)
where:
Base-Base interactions energy: -32.466
where: short stacking energy: -32.466
Base-Backbone interact. energy: -0.011
local terms energy: -37.637982
where:
bonds (distance) C4'-P energy: -5.822
bonds (distance) P-C4' energy: -10.649
flat angles C4'-P-C4' energy: -9.037
flat angles P-C4'-P energy: -6.643
tors. eta vs tors. theta energy: -5.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -60.518779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.518779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.518779 (E_RNA)
where:
Base-Base interactions energy: -39.395
where: short stacking energy: -11.007
Base-Backbone interact. energy: -0.103
local terms energy: -21.020040
where:
bonds (distance) C4'-P energy: -7.470
bonds (distance) P-C4' energy: -5.458
flat angles C4'-P-C4' energy: -4.527
flat angles P-C4'-P energy: -7.179
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: 1, replica: 9
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -142.562645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.562645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.562645 (E_RNA)
where:
Base-Base interactions energy: -97.150
where: short stacking energy: -45.875
Base-Backbone interact. energy: -1.566
local terms energy: -43.847015
where:
bonds (distance) C4'-P energy: -8.289
bonds (distance) P-C4' energy: -10.401
flat angles C4'-P-C4' energy: -10.168
flat angles P-C4'-P energy: -5.622
tors. eta vs tors. theta energy: -9.368
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: 7
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -140.624134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.624134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.624134 (E_RNA)
where:
Base-Base interactions energy: -97.060
where: short stacking energy: -45.462
Base-Backbone interact. energy: -1.338
local terms energy: -42.227011
where:
bonds (distance) C4'-P energy: -10.115
bonds (distance) P-C4' energy: -8.545
flat angles C4'-P-C4' energy: -6.691
flat angles P-C4'-P energy: -8.598
tors. eta vs tors. theta energy: -8.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -141.085234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.085234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.085234 (E_RNA)
where:
Base-Base interactions energy: -95.491
where: short stacking energy: -43.135
Base-Backbone interact. energy: -0.838
local terms energy: -44.756743
where:
bonds (distance) C4'-P energy: -7.880
bonds (distance) P-C4' energy: -10.674
flat angles C4'-P-C4' energy: -9.781
flat angles P-C4'-P energy: -5.473
tors. eta vs tors. theta energy: -10.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -136.206040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.206040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.206040 (E_RNA)
where:
Base-Base interactions energy: -95.891
where: short stacking energy: -43.302
Base-Backbone interact. energy: -0.680
local terms energy: -39.634932
where:
bonds (distance) C4'-P energy: -6.757
bonds (distance) P-C4' energy: -9.473
flat angles C4'-P-C4' energy: -7.334
flat angles P-C4'-P energy: -7.916
tors. eta vs tors. theta energy: -8.154
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: 3
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -135.418553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.418553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.418553 (E_RNA)
where:
Base-Base interactions energy: -96.570
where: short stacking energy: -46.492
Base-Backbone interact. energy: -0.002
local terms energy: -38.846490
where:
bonds (distance) C4'-P energy: -4.642
bonds (distance) P-C4' energy: -10.451
flat angles C4'-P-C4' energy: -6.918
flat angles P-C4'-P energy: -7.535
tors. eta vs tors. theta energy: -9.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -131.963886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.963886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.963886 (E_RNA)
where:
Base-Base interactions energy: -94.069
where: short stacking energy: -44.366
Base-Backbone interact. energy: -1.957
local terms energy: -35.937371
where:
bonds (distance) C4'-P energy: -9.469
bonds (distance) P-C4' energy: -5.828
flat angles C4'-P-C4' energy: -8.161
flat angles P-C4'-P energy: -5.129
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: 7, replica: 1
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -128.890704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.890704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.890704 (E_RNA)
where:
Base-Base interactions energy: -89.775
where: short stacking energy: -41.820
Base-Backbone interact. energy: -0.001
local terms energy: -39.115276
where:
bonds (distance) C4'-P energy: -9.805
bonds (distance) P-C4' energy: -9.081
flat angles C4'-P-C4' energy: -3.447
flat angles P-C4'-P energy: -5.990
tors. eta vs tors. theta energy: -10.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -61.516020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.516020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.516020 (E_RNA)
where:
Base-Base interactions energy: -21.172
where: short stacking energy: -21.172
Base-Backbone interact. energy: -0.030
local terms energy: -40.314296
where:
bonds (distance) C4'-P energy: -7.764
bonds (distance) P-C4' energy: -9.616
flat angles C4'-P-C4' energy: -10.453
flat angles P-C4'-P energy: -7.710
tors. eta vs tors. theta energy: -4.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -64.024026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.024026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.024026 (E_RNA)
where:
Base-Base interactions energy: -34.118
where: short stacking energy: -22.420
Base-Backbone interact. energy: 1.623
local terms energy: -31.528963
where:
bonds (distance) C4'-P energy: -8.160
bonds (distance) P-C4' energy: -8.371
flat angles C4'-P-C4' energy: -6.273
flat angles P-C4'-P energy: -4.495
tors. eta vs tors. theta energy: -4.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -54.099788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.099788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.099788 (E_RNA)
where:
Base-Base interactions energy: -25.724
where: short stacking energy: -25.724
Base-Backbone interact. energy: -0.018
local terms energy: -28.356890
where:
bonds (distance) C4'-P energy: -8.506
bonds (distance) P-C4' energy: -6.059
flat angles C4'-P-C4' energy: -9.167
flat angles P-C4'-P energy: -1.405
tors. eta vs tors. theta energy: -3.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -143.243753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.243753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.243753 (E_RNA)
where:
Base-Base interactions energy: -94.604
where: short stacking energy: -45.059
Base-Backbone interact. energy: -0.012
local terms energy: -48.627732
where:
bonds (distance) C4'-P energy: -10.446
bonds (distance) P-C4' energy: -9.793
flat angles C4'-P-C4' energy: -10.489
flat angles P-C4'-P energy: -7.203
tors. eta vs tors. theta energy: -10.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -137.687549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.687549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.687549 (E_RNA)
where:
Base-Base interactions energy: -91.506
where: short stacking energy: -42.079
Base-Backbone interact. energy: -2.791
local terms energy: -43.390461
where:
bonds (distance) C4'-P energy: -7.156
bonds (distance) P-C4' energy: -10.408
flat angles C4'-P-C4' energy: -8.557
flat angles P-C4'-P energy: -8.325
tors. eta vs tors. theta energy: -8.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -138.072007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.072007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.072007 (E_RNA)
where:
Base-Base interactions energy: -93.868
where: short stacking energy: -43.127
Base-Backbone interact. energy: -0.677
local terms energy: -43.527058
where:
bonds (distance) C4'-P energy: -8.462
bonds (distance) P-C4' energy: -7.873
flat angles C4'-P-C4' energy: -9.168
flat angles P-C4'-P energy: -7.113
tors. eta vs tors. theta energy: -10.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -134.367554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.367554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.367554 (E_RNA)
where:
Base-Base interactions energy: -93.496
where: short stacking energy: -44.581
Base-Backbone interact. energy: -0.223
local terms energy: -40.648091
where:
bonds (distance) C4'-P energy: -8.819
bonds (distance) P-C4' energy: -9.389
flat angles C4'-P-C4' energy: -8.237
flat angles P-C4'-P energy: -7.114
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: 5, replica: 4
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -133.325181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.325181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.325181 (E_RNA)
where:
Base-Base interactions energy: -92.593
where: short stacking energy: -39.735
Base-Backbone interact. energy: 0.353
local terms energy: -41.085109
where:
bonds (distance) C4'-P energy: -5.760
bonds (distance) P-C4' energy: -8.914
flat angles C4'-P-C4' energy: -10.350
flat angles P-C4'-P energy: -6.537
tors. eta vs tors. theta energy: -9.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -134.230270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.230270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.230270 (E_RNA)
where:
Base-Base interactions energy: -93.032
where: short stacking energy: -45.453
Base-Backbone interact. energy: -1.521
local terms energy: -39.676740
where:
bonds (distance) C4'-P energy: -7.681
bonds (distance) P-C4' energy: -8.911
flat angles C4'-P-C4' energy: -7.997
flat angles P-C4'-P energy: -6.633
tors. eta vs tors. theta energy: -8.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -129.882827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.882827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.882827 (E_RNA)
where:
Base-Base interactions energy: -89.808
where: short stacking energy: -40.815
Base-Backbone interact. energy: -0.550
local terms energy: -39.525045
where:
bonds (distance) C4'-P energy: -7.855
bonds (distance) P-C4' energy: -9.377
flat angles C4'-P-C4' energy: -7.761
flat angles P-C4'-P energy: -4.007
tors. eta vs tors. theta energy: -10.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -79.693322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.693322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.693322 (E_RNA)
where:
Base-Base interactions energy: -40.769
where: short stacking energy: -35.706
Base-Backbone interact. energy: -0.001
local terms energy: -38.923448
where:
bonds (distance) C4'-P energy: -6.778
bonds (distance) P-C4' energy: -9.113
flat angles C4'-P-C4' energy: -8.109
flat angles P-C4'-P energy: -6.680
tors. eta vs tors. theta energy: -8.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -60.130344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.130344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.130344 (E_RNA)
where:
Base-Base interactions energy: -28.985
where: short stacking energy: -24.817
Base-Backbone interact. energy: -0.122
local terms energy: -31.022624
where:
bonds (distance) C4'-P energy: -6.982
bonds (distance) P-C4' energy: -9.669
flat angles C4'-P-C4' energy: -7.397
flat angles P-C4'-P energy: -4.748
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: 10, replica: 5
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -61.695389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.695389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.695389 (E_RNA)
where:
Base-Base interactions energy: -30.080
where: short stacking energy: -30.080
Base-Backbone interact. energy: 0.226
local terms energy: -31.841346
where:
bonds (distance) C4'-P energy: -8.923
bonds (distance) P-C4' energy: -7.911
flat angles C4'-P-C4' energy: -6.507
flat angles P-C4'-P energy: -4.843
tors. eta vs tors. theta energy: -3.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -140.109520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.109520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.109520 (E_RNA)
where:
Base-Base interactions energy: -92.371
where: short stacking energy: -41.401
Base-Backbone interact. energy: -0.676
local terms energy: -47.062393
where:
bonds (distance) C4'-P energy: -9.519
bonds (distance) P-C4' energy: -11.346
flat angles C4'-P-C4' energy: -9.239
flat angles P-C4'-P energy: -7.466
tors. eta vs tors. theta energy: -9.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -142.333902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.333902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.333902 (E_RNA)
where:
Base-Base interactions energy: -99.098
where: short stacking energy: -47.893
Base-Backbone interact. energy: -0.741
local terms energy: -42.494690
where:
bonds (distance) C4'-P energy: -8.313
bonds (distance) P-C4' energy: -8.883
flat angles C4'-P-C4' energy: -9.619
flat angles P-C4'-P energy: -5.302
tors. eta vs tors. theta energy: -10.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -132.121284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.121284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.121284 (E_RNA)
where:
Base-Base interactions energy: -92.514
where: short stacking energy: -37.379
Base-Backbone interact. energy: -0.005
local terms energy: -39.602943
where:
bonds (distance) C4'-P energy: -10.069
bonds (distance) P-C4' energy: -7.516
flat angles C4'-P-C4' energy: -9.358
flat angles P-C4'-P energy: -7.031
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: 4, replica: 4
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -137.603844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.603844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.603844 (E_RNA)
where:
Base-Base interactions energy: -93.997
where: short stacking energy: -42.577
Base-Backbone interact. energy: -1.597
local terms energy: -42.009643
where:
bonds (distance) C4'-P energy: -6.380
bonds (distance) P-C4' energy: -10.098
flat angles C4'-P-C4' energy: -10.057
flat angles P-C4'-P energy: -5.015
tors. eta vs tors. theta energy: -10.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -134.593313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.593313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.593313 (E_RNA)
where:
Base-Base interactions energy: -91.336
where: short stacking energy: -44.444
Base-Backbone interact. energy: 1.203
local terms energy: -44.460514
where:
bonds (distance) C4'-P energy: -9.317
bonds (distance) P-C4' energy: -8.733
flat angles C4'-P-C4' energy: -9.571
flat angles P-C4'-P energy: -6.772
tors. eta vs tors. theta energy: -10.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -129.472856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.472856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.472856 (E_RNA)
where:
Base-Base interactions energy: -91.227
where: short stacking energy: -43.206
Base-Backbone interact. energy: -0.519
local terms energy: -37.726910
where:
bonds (distance) C4'-P energy: -8.099
bonds (distance) P-C4' energy: -10.680
flat angles C4'-P-C4' energy: -3.567
flat angles P-C4'-P energy: -6.414
tors. eta vs tors. theta energy: -8.968
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: 1
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -129.886266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.886266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.886266 (E_RNA)
where:
Base-Base interactions energy: -87.969
where: short stacking energy: -40.180
Base-Backbone interact. energy: -0.009
local terms energy: -41.908562
where:
bonds (distance) C4'-P energy: -6.663
bonds (distance) P-C4' energy: -8.864
flat angles C4'-P-C4' energy: -9.680
flat angles P-C4'-P energy: -7.157
tors. eta vs tors. theta energy: -9.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -57.920656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.920656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.920656 (E_RNA)
where:
Base-Base interactions energy: -27.713
where: short stacking energy: -17.679
Base-Backbone interact. energy: 0.108
local terms energy: -30.315959
where:
bonds (distance) C4'-P energy: -6.605
bonds (distance) P-C4' energy: -9.895
flat angles C4'-P-C4' energy: -10.246
flat angles P-C4'-P energy: -3.070
tors. eta vs tors. theta energy: -0.500
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: 131
Temperature: 1.300000
Total energy: -67.304014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.304014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.304014 (E_RNA)
where:
Base-Base interactions energy: -40.694
where: short stacking energy: -24.708
Base-Backbone interact. energy: -0.105
local terms energy: -26.505373
where:
bonds (distance) C4'-P energy: -7.945
bonds (distance) P-C4' energy: -9.678
flat angles C4'-P-C4' energy: -6.220
flat angles P-C4'-P energy: -2.810
tors. eta vs tors. theta energy: 0.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -55.519799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.519799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.519799 (E_RNA)
where:
Base-Base interactions energy: -22.607
where: short stacking energy: -22.607
Base-Backbone interact. energy: -0.139
local terms energy: -32.773512
where:
bonds (distance) C4'-P energy: -6.609
bonds (distance) P-C4' energy: -8.298
flat angles C4'-P-C4' energy: -10.105
flat angles P-C4'-P energy: -6.281
tors. eta vs tors. theta energy: -1.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -143.218866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.218866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.218866 (E_RNA)
where:
Base-Base interactions energy: -95.545
where: short stacking energy: -44.254
Base-Backbone interact. energy: 0.058
local terms energy: -47.732393
where:
bonds (distance) C4'-P energy: -8.687
bonds (distance) P-C4' energy: -10.158
flat angles C4'-P-C4' energy: -9.530
flat angles P-C4'-P energy: -8.213
tors. eta vs tors. theta energy: -11.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -140.177522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.177522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.177522 (E_RNA)
where:
Base-Base interactions energy: -97.669
where: short stacking energy: -46.158
Base-Backbone interact. energy: -0.002
local terms energy: -42.506170
where:
bonds (distance) C4'-P energy: -10.115
bonds (distance) P-C4' energy: -10.355
flat angles C4'-P-C4' energy: -9.698
flat angles P-C4'-P energy: -3.871
tors. eta vs tors. theta energy: -8.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -140.482666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.482666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.482666 (E_RNA)
where:
Base-Base interactions energy: -95.853
where: short stacking energy: -44.758
Base-Backbone interact. energy: -0.650
local terms energy: -43.979129
where:
bonds (distance) C4'-P energy: -8.563
bonds (distance) P-C4' energy: -10.183
flat angles C4'-P-C4' energy: -7.964
flat angles P-C4'-P energy: -6.879
tors. eta vs tors. theta energy: -10.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -132.166301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.166301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.166301 (E_RNA)
where:
Base-Base interactions energy: -97.511
where: short stacking energy: -40.119
Base-Backbone interact. energy: -0.040
local terms energy: -34.615512
where:
bonds (distance) C4'-P energy: -9.218
bonds (distance) P-C4' energy: -9.295
flat angles C4'-P-C4' energy: -6.789
flat angles P-C4'-P energy: -5.198
tors. eta vs tors. theta energy: -4.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -130.680995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.680995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.680995 (E_RNA)
where:
Base-Base interactions energy: -94.281
where: short stacking energy: -38.111
Base-Backbone interact. energy: -0.071
local terms energy: -36.329216
where:
bonds (distance) C4'-P energy: -9.503
bonds (distance) P-C4' energy: -8.883
flat angles C4'-P-C4' energy: -4.870
flat angles P-C4'-P energy: -5.015
tors. eta vs tors. theta energy: -8.059
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: 6, replica: 10
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -137.438774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.438774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.438774 (E_RNA)
where:
Base-Base interactions energy: -102.006
where: short stacking energy: -40.716
Base-Backbone interact. energy: 0.684
local terms energy: -36.117012
where:
bonds (distance) C4'-P energy: -8.926
bonds (distance) P-C4' energy: -8.012
flat angles C4'-P-C4' energy: -9.607
flat angles P-C4'-P energy: 0.109
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: 7, replica: 1
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -125.725986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.725986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.725986 (E_RNA)
where:
Base-Base interactions energy: -88.751
where: short stacking energy: -40.567
Base-Backbone interact. energy: -0.076
local terms energy: -36.899191
where:
bonds (distance) C4'-P energy: -7.470
bonds (distance) P-C4' energy: -6.217
flat angles C4'-P-C4' energy: -6.416
flat angles P-C4'-P energy: -6.439
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: 8
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -64.298496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.298496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.298496 (E_RNA)
where:
Base-Base interactions energy: -31.626
where: short stacking energy: -26.691
Base-Backbone interact. energy: -0.619
local terms energy: -32.053523
where:
bonds (distance) C4'-P energy: -8.944
bonds (distance) P-C4' energy: -9.932
flat angles C4'-P-C4' energy: -4.530
flat angles P-C4'-P energy: -5.259
tors. eta vs tors. theta energy: -3.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -63.846083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.846083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.846083 (E_RNA)
where:
Base-Base interactions energy: -29.807
where: short stacking energy: -16.887
Base-Backbone interact. energy: -0.070
local terms energy: -33.968415
where:
bonds (distance) C4'-P energy: -9.660
bonds (distance) P-C4' energy: -8.466
flat angles C4'-P-C4' energy: -6.897
flat angles P-C4'-P energy: -7.083
tors. eta vs tors. theta energy: -1.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -50.795158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.795158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.795158 (E_RNA)
where:
Base-Base interactions energy: -27.560
where: short stacking energy: -18.824
Base-Backbone interact. energy: -0.212
local terms energy: -23.023234
where:
bonds (distance) C4'-P energy: -6.874
bonds (distance) P-C4' energy: -8.477
flat angles C4'-P-C4' energy: -4.824
flat angles P-C4'-P energy: -3.481
tors. eta vs tors. theta energy: 0.632
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: 1, replica: 2
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -142.205672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.205672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.205672 (E_RNA)
where:
Base-Base interactions energy: -96.007
where: short stacking energy: -44.521
Base-Backbone interact. energy: -0.752
local terms energy: -45.446934
where:
bonds (distance) C4'-P energy: -9.147
bonds (distance) P-C4' energy: -9.315
flat angles C4'-P-C4' energy: -9.258
flat angles P-C4'-P energy: -6.888
tors. eta vs tors. theta energy: -10.838
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: 4
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -139.212613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.212613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.212613 (E_RNA)
where:
Base-Base interactions energy: -94.214
where: short stacking energy: -44.497
Base-Backbone interact. energy: -0.590
local terms energy: -44.408826
where:
bonds (distance) C4'-P energy: -9.130
bonds (distance) P-C4' energy: -8.333
flat angles C4'-P-C4' energy: -10.654
flat angles P-C4'-P energy: -6.967
tors. eta vs tors. theta energy: -9.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -139.437270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.437270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.437270 (E_RNA)
where:
Base-Base interactions energy: -96.026
where: short stacking energy: -45.803
Base-Backbone interact. energy: -0.956
local terms energy: -42.454634
where:
bonds (distance) C4'-P energy: -9.609
bonds (distance) P-C4' energy: -10.454
flat angles C4'-P-C4' energy: -8.783
flat angles P-C4'-P energy: -5.855
tors. eta vs tors. theta energy: -7.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -138.648685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.648685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.648685 (E_RNA)
where:
Base-Base interactions energy: -101.996
where: short stacking energy: -36.352
Base-Backbone interact. energy: -0.521
local terms energy: -36.131987
where:
bonds (distance) C4'-P energy: -9.937
bonds (distance) P-C4' energy: -8.852
flat angles C4'-P-C4' energy: -8.903
flat angles P-C4'-P energy: -0.719
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: 5, replica: 9
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -128.191834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.191834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.191834 (E_RNA)
where:
Base-Base interactions energy: -85.314
where: short stacking energy: -39.341
Base-Backbone interact. energy: -0.269
local terms energy: -42.608890
where:
bonds (distance) C4'-P energy: -6.348
bonds (distance) P-C4' energy: -10.334
flat angles C4'-P-C4' energy: -8.625
flat angles P-C4'-P energy: -7.101
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: 6, replica: 1
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -133.836648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.836648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.836648 (E_RNA)
where:
Base-Base interactions energy: -91.977
where: short stacking energy: -41.402
Base-Backbone interact. energy: -0.014
local terms energy: -41.844815
where:
bonds (distance) C4'-P energy: -8.890
bonds (distance) P-C4' energy: -9.870
flat angles C4'-P-C4' energy: -8.253
flat angles P-C4'-P energy: -6.287
tors. eta vs tors. theta energy: -8.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -120.558629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.558629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.558629 (E_RNA)
where:
Base-Base interactions energy: -85.433
where: short stacking energy: -38.318
Base-Backbone interact. energy: -0.041
local terms energy: -35.085218
where:
bonds (distance) C4'-P energy: -3.744
bonds (distance) P-C4' energy: -7.007
flat angles C4'-P-C4' energy: -6.974
flat angles P-C4'-P energy: -7.516
tors. eta vs tors. theta energy: -9.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -64.080629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.080629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.080629 (E_RNA)
where:
Base-Base interactions energy: -37.120
where: short stacking energy: -17.466
Base-Backbone interact. energy: 1.255
local terms energy: -28.215310
where:
bonds (distance) C4'-P energy: -9.441
bonds (distance) P-C4' energy: -5.465
flat angles C4'-P-C4' energy: -8.978
flat angles P-C4'-P energy: -6.613
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: 8
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -62.955341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.955341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.955341 (E_RNA)
where:
Base-Base interactions energy: -32.617
where: short stacking energy: -24.328
Base-Backbone interact. energy: -0.092
local terms energy: -30.246836
where:
bonds (distance) C4'-P energy: -3.724
bonds (distance) P-C4' energy: -9.239
flat angles C4'-P-C4' energy: -6.886
flat angles P-C4'-P energy: -5.552
tors. eta vs tors. theta energy: -4.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -54.530269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.530269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.530269 (E_RNA)
where:
Base-Base interactions energy: -34.168
where: short stacking energy: -11.271
Base-Backbone interact. energy: 1.480
local terms energy: -21.841370
where:
bonds (distance) C4'-P energy: -2.419
bonds (distance) P-C4' energy: -6.625
flat angles C4'-P-C4' energy: -4.468
flat angles P-C4'-P energy: -6.454
tors. eta vs tors. theta energy: -1.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -136.051106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.051106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.051106 (E_RNA)
where:
Base-Base interactions energy: -94.360
where: short stacking energy: -41.126
Base-Backbone interact. energy: -0.241
local terms energy: -41.449595
where:
bonds (distance) C4'-P energy: -9.209
bonds (distance) P-C4' energy: -7.684
flat angles C4'-P-C4' energy: -8.243
flat angles P-C4'-P energy: -6.454
tors. eta vs tors. theta energy: -9.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -144.940812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.940812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.940812 (E_RNA)
where:
Base-Base interactions energy: -95.505
where: short stacking energy: -46.061
Base-Backbone interact. energy: -1.291
local terms energy: -48.144036
where:
bonds (distance) C4'-P energy: -8.537
bonds (distance) P-C4' energy: -11.110
flat angles C4'-P-C4' energy: -9.592
flat angles P-C4'-P energy: -9.303
tors. eta vs tors. theta energy: -9.603
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: 7
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -138.860629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.860629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.860629 (E_RNA)
where:
Base-Base interactions energy: -94.670
where: short stacking energy: -42.029
Base-Backbone interact. energy: -0.281
local terms energy: -43.909030
where:
bonds (distance) C4'-P energy: -10.384
bonds (distance) P-C4' energy: -9.904
flat angles C4'-P-C4' energy: -8.966
flat angles P-C4'-P energy: -4.346
tors. eta vs tors. theta energy: -10.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -139.943204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.943204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.943204 (E_RNA)
where:
Base-Base interactions energy: -96.459
where: short stacking energy: -45.699
Base-Backbone interact. energy: -0.004
local terms energy: -43.480482
where:
bonds (distance) C4'-P energy: -8.538
bonds (distance) P-C4' energy: -9.267
flat angles C4'-P-C4' energy: -9.071
flat angles P-C4'-P energy: -6.240
tors. eta vs tors. theta energy: -10.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -142.604929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.604929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.604929 (E_RNA)
where:
Base-Base interactions energy: -98.276
where: short stacking energy: -43.331
Base-Backbone interact. energy: -0.042
local terms energy: -44.287231
where:
bonds (distance) C4'-P energy: -9.390
bonds (distance) P-C4' energy: -11.106
flat angles C4'-P-C4' energy: -7.564
flat angles P-C4'-P energy: -8.036
tors. eta vs tors. theta energy: -8.191
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: 9
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -129.582132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.582132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.582132 (E_RNA)
where:
Base-Base interactions energy: -89.147
where: short stacking energy: -39.693
Base-Backbone interact. energy: 0.118
local terms energy: -40.552256
where:
bonds (distance) C4'-P energy: -7.504
bonds (distance) P-C4' energy: -9.558
flat angles C4'-P-C4' energy: -8.057
flat angles P-C4'-P energy: -6.768
tors. eta vs tors. theta energy: -8.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -123.846201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.846201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.846201 (E_RNA)
where:
Base-Base interactions energy: -85.700
where: short stacking energy: -39.160
Base-Backbone interact. energy: -0.001
local terms energy: -38.145595
where:
bonds (distance) C4'-P energy: -7.196
bonds (distance) P-C4' energy: -6.181
flat angles C4'-P-C4' energy: -9.895
flat angles P-C4'-P energy: -7.120
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: 5
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -62.956496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.956496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.956496 (E_RNA)
where:
Base-Base interactions energy: -35.944
where: short stacking energy: -29.634
Base-Backbone interact. energy: -0.034
local terms energy: -26.978837
where:
bonds (distance) C4'-P energy: -6.811
bonds (distance) P-C4' energy: -9.107
flat angles C4'-P-C4' energy: -8.383
flat angles P-C4'-P energy: 1.310
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: 6
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -61.638948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.638948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.638948 (E_RNA)
where:
Base-Base interactions energy: -28.747
where: short stacking energy: -15.260
Base-Backbone interact. energy: -0.006
local terms energy: -32.886096
where:
bonds (distance) C4'-P energy: -6.517
bonds (distance) P-C4' energy: -9.380
flat angles C4'-P-C4' energy: -7.862
flat angles P-C4'-P energy: -5.395
tors. eta vs tors. theta energy: -3.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -70.530593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.530593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.530593 (E_RNA)
where:
Base-Base interactions energy: -36.169
where: short stacking energy: -29.330
Base-Backbone interact. energy: -0.039
local terms energy: -34.323049
where:
bonds (distance) C4'-P energy: -4.679
bonds (distance) P-C4' energy: -9.267
flat angles C4'-P-C4' energy: -8.616
flat angles P-C4'-P energy: -6.493
tors. eta vs tors. theta energy: -5.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -141.110204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.110204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.110204 (E_RNA)
where:
Base-Base interactions energy: -98.652
where: short stacking energy: -44.860
Base-Backbone interact. energy: -0.004
local terms energy: -42.454387
where:
bonds (distance) C4'-P energy: -8.919
bonds (distance) P-C4' energy: -8.290
flat angles C4'-P-C4' energy: -9.334
flat angles P-C4'-P energy: -6.931
tors. eta vs tors. theta energy: -8.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -142.615119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.615119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.615119 (E_RNA)
where:
Base-Base interactions energy: -93.772
where: short stacking energy: -39.835
Base-Backbone interact. energy: -0.002
local terms energy: -48.841536
where:
bonds (distance) C4'-P energy: -9.503
bonds (distance) P-C4' energy: -10.877
flat angles C4'-P-C4' energy: -11.096
flat angles P-C4'-P energy: -7.645
tors. eta vs tors. theta energy: -9.720
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: 3, replica: 7
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -134.255089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.255089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.255089 (E_RNA)
where:
Base-Base interactions energy: -92.441
where: short stacking energy: -40.247
Base-Backbone interact. energy: -0.003
local terms energy: -41.811137
where:
bonds (distance) C4'-P energy: -4.808
bonds (distance) P-C4' energy: -10.820
flat angles C4'-P-C4' energy: -10.739
flat angles P-C4'-P energy: -4.907
tors. eta vs tors. theta energy: -10.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -137.759472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.759472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.759472 (E_RNA)
where:
Base-Base interactions energy: -94.912
where: short stacking energy: -44.971
Base-Backbone interact. energy: -0.013
local terms energy: -42.835268
where:
bonds (distance) C4'-P energy: -5.830
bonds (distance) P-C4' energy: -8.199
flat angles C4'-P-C4' energy: -10.930
flat angles P-C4'-P energy: -7.397
tors. eta vs tors. theta energy: -10.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -134.831891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.831891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.831891 (E_RNA)
where:
Base-Base interactions energy: -94.807
where: short stacking energy: -43.043
Base-Backbone interact. energy: -0.423
local terms energy: -39.601401
where:
bonds (distance) C4'-P energy: -9.076
bonds (distance) P-C4' energy: -7.709
flat angles C4'-P-C4' energy: -8.938
flat angles P-C4'-P energy: -5.659
tors. eta vs tors. theta energy: -8.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -132.139967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.139967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.139967 (E_RNA)
where:
Base-Base interactions energy: -91.161
where: short stacking energy: -42.222
Base-Backbone interact. energy: -0.037
local terms energy: -40.942504
where:
bonds (distance) C4'-P energy: -8.857
bonds (distance) P-C4' energy: -8.038
flat angles C4'-P-C4' energy: -9.159
flat angles P-C4'-P energy: -6.277
tors. eta vs tors. theta energy: -8.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -135.070526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.070526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.070526 (E_RNA)
where:
Base-Base interactions energy: -92.378
where: short stacking energy: -42.854
Base-Backbone interact. energy: -0.007
local terms energy: -42.685086
where:
bonds (distance) C4'-P energy: -8.456
bonds (distance) P-C4' energy: -8.337
flat angles C4'-P-C4' energy: -9.466
flat angles P-C4'-P energy: -6.203
tors. eta vs tors. theta energy: -10.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -62.507854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.507854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.507854 (E_RNA)
where:
Base-Base interactions energy: -27.186
where: short stacking energy: -27.186
Base-Backbone interact. energy: -0.016
local terms energy: -35.306049
where:
bonds (distance) C4'-P energy: -9.601
bonds (distance) P-C4' energy: -8.653
flat angles C4'-P-C4' energy: -2.820
flat angles P-C4'-P energy: -7.811
tors. eta vs tors. theta energy: -6.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -56.090292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.090292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.090292 (E_RNA)
where:
Base-Base interactions energy: -30.635
where: short stacking energy: -26.318
Base-Backbone interact. energy: -0.048
local terms energy: -25.407366
where:
bonds (distance) C4'-P energy: -8.190
bonds (distance) P-C4' energy: -5.469
flat angles C4'-P-C4' energy: -5.007
flat angles P-C4'-P energy: -5.147
tors. eta vs tors. theta energy: -1.595
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: 10, replica: 8
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -59.379819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.379819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.379819 (E_RNA)
where:
Base-Base interactions energy: -26.979
where: short stacking energy: -26.979
Base-Backbone interact. energy: -0.003
local terms energy: -32.397953
where:
bonds (distance) C4'-P energy: -4.989
bonds (distance) P-C4' energy: -7.792
flat angles C4'-P-C4' energy: -8.699
flat angles P-C4'-P energy: -5.813
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: 1, replica: 2
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -145.368223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.368223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.368223 (E_RNA)
where:
Base-Base interactions energy: -105.243
where: short stacking energy: -43.153
Base-Backbone interact. energy: -0.007
local terms energy: -40.118471
where:
bonds (distance) C4'-P energy: -9.279
bonds (distance) P-C4' energy: -8.801
flat angles C4'-P-C4' energy: -7.123
flat angles P-C4'-P energy: -2.101
tors. eta vs tors. theta energy: -12.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -137.165056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.165056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.165056 (E_RNA)
where:
Base-Base interactions energy: -92.207
where: short stacking energy: -40.304
Base-Backbone interact. energy: -1.663
local terms energy: -43.294205
where:
bonds (distance) C4'-P energy: -6.700
bonds (distance) P-C4' energy: -10.612
flat angles C4'-P-C4' energy: -9.569
flat angles P-C4'-P energy: -6.677
tors. eta vs tors. theta energy: -9.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -135.098450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.098450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.098450 (E_RNA)
where:
Base-Base interactions energy: -94.429
where: short stacking energy: -43.714
Base-Backbone interact. energy: 0.254
local terms energy: -40.923704
where:
bonds (distance) C4'-P energy: -10.223
bonds (distance) P-C4' energy: -8.196
flat angles C4'-P-C4' energy: -8.604
flat angles P-C4'-P energy: -4.209
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: 4, replica: 7
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -133.116913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.116913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.116913 (E_RNA)
where:
Base-Base interactions energy: -91.912
where: short stacking energy: -44.834
Base-Backbone interact. energy: -0.014
local terms energy: -41.190674
where:
bonds (distance) C4'-P energy: -9.308
bonds (distance) P-C4' energy: -8.295
flat angles C4'-P-C4' energy: -7.469
flat angles P-C4'-P energy: -6.356
tors. eta vs tors. theta energy: -9.763
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: 10
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -137.840883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.840883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.840883 (E_RNA)
where:
Base-Base interactions energy: -89.113
where: short stacking energy: -42.346
Base-Backbone interact. energy: -0.010
local terms energy: -48.717798
where:
bonds (distance) C4'-P energy: -9.387
bonds (distance) P-C4' energy: -9.898
flat angles C4'-P-C4' energy: -10.689
flat angles P-C4'-P energy: -7.944
tors. eta vs tors. theta energy: -10.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -132.168119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.168119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.168119 (E_RNA)
where:
Base-Base interactions energy: -91.521
where: short stacking energy: -46.133
Base-Backbone interact. energy: -0.029
local terms energy: -40.617646
where:
bonds (distance) C4'-P energy: -6.049
bonds (distance) P-C4' energy: -8.837
flat angles C4'-P-C4' energy: -9.757
flat angles P-C4'-P energy: -6.012
tors. eta vs tors. theta energy: -9.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -142.278768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.278768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.278768 (E_RNA)
where:
Base-Base interactions energy: -105.017
where: short stacking energy: -42.346
Base-Backbone interact. energy: -0.065
local terms energy: -37.197511
where:
bonds (distance) C4'-P energy: -7.320
bonds (distance) P-C4' energy: -10.677
flat angles C4'-P-C4' energy: -9.393
flat angles P-C4'-P energy: -2.921
tors. eta vs tors. theta energy: -6.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -61.999773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.999773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.999773 (E_RNA)
where:
Base-Base interactions energy: -29.856
where: short stacking energy: -21.565
Base-Backbone interact. energy: -0.134
local terms energy: -32.009943
where:
bonds (distance) C4'-P energy: -6.803
bonds (distance) P-C4' energy: -10.662
flat angles C4'-P-C4' energy: -6.889
flat angles P-C4'-P energy: -3.828
tors. eta vs tors. theta energy: -3.828
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: 136
Temperature: 1.300000
Total energy: -76.755180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.755180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.755180 (E_RNA)
where:
Base-Base interactions energy: -40.553
where: short stacking energy: -34.587
Base-Backbone interact. energy: -0.019
local terms energy: -36.183058
where:
bonds (distance) C4'-P energy: -8.336
bonds (distance) P-C4' energy: -7.255
flat angles C4'-P-C4' energy: -8.574
flat angles P-C4'-P energy: -3.503
tors. eta vs tors. theta energy: -8.515
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: 10, replica: 5
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -54.064233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.064233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.064233 (E_RNA)
where:
Base-Base interactions energy: -27.129
where: short stacking energy: -27.129
Base-Backbone interact. energy: -0.008
local terms energy: -26.927389
where:
bonds (distance) C4'-P energy: -0.424
bonds (distance) P-C4' energy: -9.314
flat angles C4'-P-C4' energy: -11.333
flat angles P-C4'-P energy: -2.943
tors. eta vs tors. theta energy: -2.915
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: 2
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -142.699271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.699271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.699271 (E_RNA)
where:
Base-Base interactions energy: -94.118
where: short stacking energy: -38.406
Base-Backbone interact. energy: -0.077
local terms energy: -48.504565
where:
bonds (distance) C4'-P energy: -8.348
bonds (distance) P-C4' energy: -10.898
flat angles C4'-P-C4' energy: -10.477
flat angles P-C4'-P energy: -7.612
tors. eta vs tors. theta energy: -11.170
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: 1
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -136.207291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.207291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.207291 (E_RNA)
where:
Base-Base interactions energy: -97.153
where: short stacking energy: -43.507
Base-Backbone interact. energy: -0.001
local terms energy: -39.052368
where:
bonds (distance) C4'-P energy: -7.710
bonds (distance) P-C4' energy: -8.796
flat angles C4'-P-C4' energy: -8.760
flat angles P-C4'-P energy: -6.850
tors. eta vs tors. theta energy: -6.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -134.480750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.480750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.480750 (E_RNA)
where:
Base-Base interactions energy: -93.862
where: short stacking energy: -43.707
Base-Backbone interact. energy: -0.006
local terms energy: -40.613130
where:
bonds (distance) C4'-P energy: -9.361
bonds (distance) P-C4' energy: -6.818
flat angles C4'-P-C4' energy: -9.902
flat angles P-C4'-P energy: -5.461
tors. eta vs tors. theta energy: -9.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -133.972611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.972611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.972611 (E_RNA)
where:
Base-Base interactions energy: -91.431
where: short stacking energy: -41.169
Base-Backbone interact. energy: -0.702
local terms energy: -41.839851
where:
bonds (distance) C4'-P energy: -9.022
bonds (distance) P-C4' energy: -7.098
flat angles C4'-P-C4' energy: -11.083
flat angles P-C4'-P energy: -4.863
tors. eta vs tors. theta energy: -9.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -135.704043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.704043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.704043 (E_RNA)
where:
Base-Base interactions energy: -92.347
where: short stacking energy: -42.937
Base-Backbone interact. energy: -1.153
local terms energy: -42.204032
where:
bonds (distance) C4'-P energy: -9.373
bonds (distance) P-C4' energy: -9.799
flat angles C4'-P-C4' energy: -9.468
flat angles P-C4'-P energy: -5.710
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: 6, replica: 9
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -134.986176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.986176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.986176 (E_RNA)
where:
Base-Base interactions energy: -92.173
where: short stacking energy: -44.373
Base-Backbone interact. energy: -0.015
local terms energy: -42.798184
where:
bonds (distance) C4'-P energy: -8.862
bonds (distance) P-C4' energy: -7.988
flat angles C4'-P-C4' energy: -10.453
flat angles P-C4'-P energy: -6.267
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: 7, replica: 3
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -134.845536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.845536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.845536 (E_RNA)
where:
Base-Base interactions energy: -98.078
where: short stacking energy: -46.778
Base-Backbone interact. energy: 0.909
local terms energy: -37.676706
where:
bonds (distance) C4'-P energy: -6.485
bonds (distance) P-C4' energy: -5.877
flat angles C4'-P-C4' energy: -8.991
flat angles P-C4'-P energy: -6.644
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: 137
Temperature: 1.250000
Total energy: -66.364655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.364655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.364655 (E_RNA)
where:
Base-Base interactions energy: -28.881
where: short stacking energy: -28.881
Base-Backbone interact. energy: -0.008
local terms energy: -37.475998
where:
bonds (distance) C4'-P energy: -5.964
bonds (distance) P-C4' energy: -11.078
flat angles C4'-P-C4' energy: -8.739
flat angles P-C4'-P energy: -7.352
tors. eta vs tors. theta energy: -4.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -63.463340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.463340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.463340 (E_RNA)
where:
Base-Base interactions energy: -32.447
where: short stacking energy: -28.288
Base-Backbone interact. energy: -0.030
local terms energy: -30.986116
where:
bonds (distance) C4'-P energy: -6.881
bonds (distance) P-C4' energy: -7.521
flat angles C4'-P-C4' energy: -7.072
flat angles P-C4'-P energy: -3.313
tors. eta vs tors. theta energy: -6.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -59.292082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.292082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.292082 (E_RNA)
where:
Base-Base interactions energy: -37.517
where: short stacking energy: -21.922
Base-Backbone interact. energy: 1.540
local terms energy: -23.314969
where:
bonds (distance) C4'-P energy: -9.209
bonds (distance) P-C4' energy: -3.659
flat angles C4'-P-C4' energy: -4.657
flat angles P-C4'-P energy: -4.545
tors. eta vs tors. theta energy: -1.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -138.736196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.736196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.736196 (E_RNA)
where:
Base-Base interactions energy: -93.885
where: short stacking energy: -44.565
Base-Backbone interact. energy: -0.034
local terms energy: -44.817785
where:
bonds (distance) C4'-P energy: -9.921
bonds (distance) P-C4' energy: -10.680
flat angles C4'-P-C4' energy: -8.103
flat angles P-C4'-P energy: -5.857
tors. eta vs tors. theta energy: -10.257
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: 2, replica: 2
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -140.120235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.120235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.120235 (E_RNA)
where:
Base-Base interactions energy: -103.950
where: short stacking energy: -40.339
Base-Backbone interact. energy: -0.182
local terms energy: -35.988389
where:
bonds (distance) C4'-P energy: -8.857
bonds (distance) P-C4' energy: -9.824
flat angles C4'-P-C4' energy: -7.010
flat angles P-C4'-P energy: -2.175
tors. eta vs tors. theta energy: -8.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -144.847289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.847289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.847289 (E_RNA)
where:
Base-Base interactions energy: -106.109
where: short stacking energy: -41.517
Base-Backbone interact. energy: -0.052
local terms energy: -38.686175
where:
bonds (distance) C4'-P energy: -7.184
bonds (distance) P-C4' energy: -9.570
flat angles C4'-P-C4' energy: -9.013
flat angles P-C4'-P energy: -3.880
tors. eta vs tors. theta energy: -9.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -137.553265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.553265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.553265 (E_RNA)
where:
Base-Base interactions energy: -95.539
where: short stacking energy: -42.548
Base-Backbone interact. energy: -1.332
local terms energy: -40.681672
where:
bonds (distance) C4'-P energy: -5.321
bonds (distance) P-C4' energy: -9.275
flat angles C4'-P-C4' energy: -9.810
flat angles P-C4'-P energy: -7.970
tors. eta vs tors. theta energy: -8.306
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: 7
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -135.540808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.540808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.540808 (E_RNA)
where:
Base-Base interactions energy: -90.365
where: short stacking energy: -43.361
Base-Backbone interact. energy: -0.828
local terms energy: -44.347435
where:
bonds (distance) C4'-P energy: -9.204
bonds (distance) P-C4' energy: -9.739
flat angles C4'-P-C4' energy: -10.025
flat angles P-C4'-P energy: -8.296
tors. eta vs tors. theta energy: -7.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -132.257976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.257976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.257976 (E_RNA)
where:
Base-Base interactions energy: -93.143
where: short stacking energy: -36.688
Base-Backbone interact. energy: -0.546
local terms energy: -38.568966
where:
bonds (distance) C4'-P energy: -9.469
bonds (distance) P-C4' energy: -9.503
flat angles C4'-P-C4' energy: -7.211
flat angles P-C4'-P energy: -4.406
tors. eta vs tors. theta energy: -7.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -127.803965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.803965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.803965 (E_RNA)
where:
Base-Base interactions energy: -85.041
where: short stacking energy: -40.849
Base-Backbone interact. energy: -0.030
local terms energy: -42.732570
where:
bonds (distance) C4'-P energy: -9.208
bonds (distance) P-C4' energy: -9.281
flat angles C4'-P-C4' energy: -10.118
flat angles P-C4'-P energy: -5.237
tors. eta vs tors. theta energy: -8.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -81.799749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.799749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.799749 (E_RNA)
where:
Base-Base interactions energy: -52.502
where: short stacking energy: -29.994
Base-Backbone interact. energy: -0.074
local terms energy: -29.223854
where:
bonds (distance) C4'-P energy: -1.387
bonds (distance) P-C4' energy: -11.106
flat angles C4'-P-C4' energy: -5.903
flat angles P-C4'-P energy: -5.305
tors. eta vs tors. theta energy: -5.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -75.027257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.027257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.027257 (E_RNA)
where:
Base-Base interactions energy: -34.309
where: short stacking energy: -34.016
Base-Backbone interact. energy: -0.931
local terms energy: -39.787002
where:
bonds (distance) C4'-P energy: -9.547
bonds (distance) P-C4' energy: -8.291
flat angles C4'-P-C4' energy: -8.862
flat angles P-C4'-P energy: -4.699
tors. eta vs tors. theta energy: -8.388
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: 138
Temperature: 1.350000
Total energy: -63.495150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.495150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.495150 (E_RNA)
where:
Base-Base interactions energy: -30.547
where: short stacking energy: -30.547
Base-Backbone interact. energy: -0.003
local terms energy: -32.944794
where:
bonds (distance) C4'-P energy: -9.593
bonds (distance) P-C4' energy: -5.821
flat angles C4'-P-C4' energy: -6.074
flat angles P-C4'-P energy: -3.891
tors. eta vs tors. theta energy: -7.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -137.938502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.938502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.938502 (E_RNA)
where:
Base-Base interactions energy: -92.213
where: short stacking energy: -44.544
Base-Backbone interact. energy: 0.106
local terms energy: -45.831922
where:
bonds (distance) C4'-P energy: -8.555
bonds (distance) P-C4' energy: -9.102
flat angles C4'-P-C4' energy: -9.851
flat angles P-C4'-P energy: -8.668
tors. eta vs tors. theta energy: -9.657
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: 139
Temperature: 0.950000
Total energy: -144.020149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.020149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.020149 (E_RNA)
where:
Base-Base interactions energy: -101.769
where: short stacking energy: -43.292
Base-Backbone interact. energy: -0.034
local terms energy: -42.216533
where:
bonds (distance) C4'-P energy: -6.794
bonds (distance) P-C4' energy: -9.658
flat angles C4'-P-C4' energy: -8.350
flat angles P-C4'-P energy: -8.333
tors. eta vs tors. theta energy: -9.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -137.155411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.155411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.155411 (E_RNA)
where:
Base-Base interactions energy: -90.472
where: short stacking energy: -43.479
Base-Backbone interact. energy: -1.114
local terms energy: -45.569190
where:
bonds (distance) C4'-P energy: -9.929
bonds (distance) P-C4' energy: -9.091
flat angles C4'-P-C4' energy: -9.705
flat angles P-C4'-P energy: -8.053
tors. eta vs tors. theta energy: -8.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -139.977168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.977168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.977168 (E_RNA)
where:
Base-Base interactions energy: -93.104
where: short stacking energy: -45.914
Base-Backbone interact. energy: -2.213
local terms energy: -44.660182
where:
bonds (distance) C4'-P energy: -9.110
bonds (distance) P-C4' energy: -10.880
flat angles C4'-P-C4' energy: -7.180
flat angles P-C4'-P energy: -6.833
tors. eta vs tors. theta energy: -10.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -138.232848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.232848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.232848 (E_RNA)
where:
Base-Base interactions energy: -101.368
where: short stacking energy: -40.053
Base-Backbone interact. energy: -0.175
local terms energy: -36.689983
where:
bonds (distance) C4'-P energy: -6.961
bonds (distance) P-C4' energy: -8.262
flat angles C4'-P-C4' energy: -7.962
flat angles P-C4'-P energy: -3.248
tors. eta vs tors. theta energy: -10.257
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: 3
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -133.385868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.385868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.385868 (E_RNA)
where:
Base-Base interactions energy: -96.409
where: short stacking energy: -39.594
Base-Backbone interact. energy: -0.016
local terms energy: -36.961360
where:
bonds (distance) C4'-P energy: -9.494
bonds (distance) P-C4' energy: -5.661
flat angles C4'-P-C4' energy: -8.772
flat angles P-C4'-P energy: -3.194
tors. eta vs tors. theta energy: -9.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -130.134394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.134394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.134394 (E_RNA)
where:
Base-Base interactions energy: -96.129
where: short stacking energy: -39.448
Base-Backbone interact. energy: -0.283
local terms energy: -33.723163
where:
bonds (distance) C4'-P energy: -5.595
bonds (distance) P-C4' energy: -8.495
flat angles C4'-P-C4' energy: -7.797
flat angles P-C4'-P energy: -1.822
tors. eta vs tors. theta energy: -10.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -56.599382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.599382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.599382 (E_RNA)
where:
Base-Base interactions energy: -27.355
where: short stacking energy: -27.355
Base-Backbone interact. energy: -0.105
local terms energy: -29.139537
where:
bonds (distance) C4'-P energy: -9.308
bonds (distance) P-C4' energy: -8.647
flat angles C4'-P-C4' energy: -4.870
flat angles P-C4'-P energy: -3.601
tors. eta vs tors. theta energy: -2.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -100.201823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.201823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.201823 (E_RNA)
where:
Base-Base interactions energy: -71.182
where: short stacking energy: -35.243
Base-Backbone interact. energy: -0.638
local terms energy: -28.381620
where:
bonds (distance) C4'-P energy: -7.443
bonds (distance) P-C4' energy: -5.792
flat angles C4'-P-C4' energy: -6.053
flat angles P-C4'-P energy: -4.523
tors. eta vs tors. theta energy: -4.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -62.579005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.579005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.579005 (E_RNA)
where:
Base-Base interactions energy: -28.604
where: short stacking energy: -28.604
Base-Backbone interact. energy: 0.092
local terms energy: -34.067266
where:
bonds (distance) C4'-P energy: -1.730
bonds (distance) P-C4' energy: -10.454
flat angles C4'-P-C4' energy: -8.726
flat angles P-C4'-P energy: -5.906
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: 1, replica: 10
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -141.844000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.844000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.844000 (E_RNA)
where:
Base-Base interactions energy: -95.922
where: short stacking energy: -47.653
Base-Backbone interact. energy: -0.779
local terms energy: -45.143440
where:
bonds (distance) C4'-P energy: -7.433
bonds (distance) P-C4' energy: -10.215
flat angles C4'-P-C4' energy: -9.717
flat angles P-C4'-P energy: -8.805
tors. eta vs tors. theta energy: -8.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -140.398427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.398427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.398427 (E_RNA)
where:
Base-Base interactions energy: -97.656
where: short stacking energy: -43.954
Base-Backbone interact. energy: -2.059
local terms energy: -40.683576
where:
bonds (distance) C4'-P energy: -8.898
bonds (distance) P-C4' energy: -7.334
flat angles C4'-P-C4' energy: -7.894
flat angles P-C4'-P energy: -6.833
tors. eta vs tors. theta energy: -9.724
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: 7
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -136.670004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.670004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.670004 (E_RNA)
where:
Base-Base interactions energy: -93.033
where: short stacking energy: -47.166
Base-Backbone interact. energy: 0.182
local terms energy: -43.819390
where:
bonds (distance) C4'-P energy: -9.146
bonds (distance) P-C4' energy: -8.104
flat angles C4'-P-C4' energy: -9.624
flat angles P-C4'-P energy: -7.150
tors. eta vs tors. theta energy: -9.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -138.119838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.119838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.119838 (E_RNA)
where:
Base-Base interactions energy: -101.520
where: short stacking energy: -42.849
Base-Backbone interact. energy: -0.001
local terms energy: -36.599695
where:
bonds (distance) C4'-P energy: -10.036
bonds (distance) P-C4' energy: -7.576
flat angles C4'-P-C4' energy: -8.311
flat angles P-C4'-P energy: -1.520
tors. eta vs tors. theta energy: -9.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -133.123443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.123443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.123443 (E_RNA)
where:
Base-Base interactions energy: -92.520
where: short stacking energy: -39.215
Base-Backbone interact. energy: -0.014
local terms energy: -40.589526
where:
bonds (distance) C4'-P energy: -8.492
bonds (distance) P-C4' energy: -9.579
flat angles C4'-P-C4' energy: -9.509
flat angles P-C4'-P energy: -6.422
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: 6, replica: 4
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -131.759620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.759620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.759620 (E_RNA)
where:
Base-Base interactions energy: -90.513
where: short stacking energy: -39.623
Base-Backbone interact. energy: -0.002
local terms energy: -41.244932
where:
bonds (distance) C4'-P energy: -9.841
bonds (distance) P-C4' energy: -9.275
flat angles C4'-P-C4' energy: -9.733
flat angles P-C4'-P energy: -4.527
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: 7, replica: 9
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -131.340845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.340845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.340845 (E_RNA)
where:
Base-Base interactions energy: -94.319
where: short stacking energy: -44.135
Base-Backbone interact. energy: -0.026
local terms energy: -36.996336
where:
bonds (distance) C4'-P energy: -6.865
bonds (distance) P-C4' energy: -9.855
flat angles C4'-P-C4' energy: -8.185
flat angles P-C4'-P energy: -4.339
tors. eta vs tors. theta energy: -7.752
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: 8, replica: 8
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -59.762341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.762341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.762341 (E_RNA)
where:
Base-Base interactions energy: -23.786
where: short stacking energy: -23.786
Base-Backbone interact. energy: -0.012
local terms energy: -35.963971
where:
bonds (distance) C4'-P energy: -5.835
bonds (distance) P-C4' energy: -10.233
flat angles C4'-P-C4' energy: -9.304
flat angles P-C4'-P energy: -6.713
tors. eta vs tors. theta energy: -3.879
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: 5
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -124.531098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.531098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.531098 (E_RNA)
where:
Base-Base interactions energy: -91.560
where: short stacking energy: -39.737
Base-Backbone interact. energy: 0.139
local terms energy: -33.109153
where:
bonds (distance) C4'-P energy: -9.043
bonds (distance) P-C4' energy: -10.193
flat angles C4'-P-C4' energy: -6.228
flat angles P-C4'-P energy: -0.983
tors. eta vs tors. theta energy: -6.662
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: 6
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -52.705425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.705425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.705425 (E_RNA)
where:
Base-Base interactions energy: -16.874
where: short stacking energy: -14.224
Base-Backbone interact. energy: -0.021
local terms energy: -35.810484
where:
bonds (distance) C4'-P energy: -8.276
bonds (distance) P-C4' energy: -11.360
flat angles C4'-P-C4' energy: -9.074
flat angles P-C4'-P energy: -6.394
tors. eta vs tors. theta energy: -0.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -141.755645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.755645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.755645 (E_RNA)
where:
Base-Base interactions energy: -96.196
where: short stacking energy: -41.595
Base-Backbone interact. energy: -1.161
local terms energy: -44.398313
where:
bonds (distance) C4'-P energy: -8.678
bonds (distance) P-C4' energy: -9.904
flat angles C4'-P-C4' energy: -9.113
flat angles P-C4'-P energy: -7.742
tors. eta vs tors. theta energy: -8.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -141.307742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.307742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.307742 (E_RNA)
where:
Base-Base interactions energy: -93.967
where: short stacking energy: -44.719
Base-Backbone interact. energy: -0.008
local terms energy: -47.332929
where:
bonds (distance) C4'-P energy: -8.997
bonds (distance) P-C4' energy: -10.838
flat angles C4'-P-C4' energy: -10.362
flat angles P-C4'-P energy: -6.090
tors. eta vs tors. theta energy: -11.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -137.506879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.506879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.506879 (E_RNA)
where:
Base-Base interactions energy: -96.493
where: short stacking energy: -47.377
Base-Backbone interact. energy: -0.329
local terms energy: -40.684975
where:
bonds (distance) C4'-P energy: -5.192
bonds (distance) P-C4' energy: -9.975
flat angles C4'-P-C4' energy: -8.229
flat angles P-C4'-P energy: -7.474
tors. eta vs tors. theta energy: -9.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -138.569343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.569343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.569343 (E_RNA)
where:
Base-Base interactions energy: -98.646
where: short stacking energy: -47.499
Base-Backbone interact. energy: 1.505
local terms energy: -41.428177
where:
bonds (distance) C4'-P energy: -8.310
bonds (distance) P-C4' energy: -7.233
flat angles C4'-P-C4' energy: -8.522
flat angles P-C4'-P energy: -6.472
tors. eta vs tors. theta energy: -10.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -134.630984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.630984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.630984 (E_RNA)
where:
Base-Base interactions energy: -94.122
where: short stacking energy: -44.414
Base-Backbone interact. energy: -0.043
local terms energy: -40.465606
where:
bonds (distance) C4'-P energy: -9.038
bonds (distance) P-C4' energy: -9.027
flat angles C4'-P-C4' energy: -7.061
flat angles P-C4'-P energy: -3.957
tors. eta vs tors. theta energy: -11.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -144.959219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.959219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.959219 (E_RNA)
where:
Base-Base interactions energy: -108.680
where: short stacking energy: -40.676
Base-Backbone interact. energy: -0.030
local terms energy: -36.249758
where:
bonds (distance) C4'-P energy: -5.728
bonds (distance) P-C4' energy: -7.914
flat angles C4'-P-C4' energy: -8.249
flat angles P-C4'-P energy: -4.556
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: 7, replica: 4
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -126.679453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.679453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.679453 (E_RNA)
where:
Base-Base interactions energy: -87.059
where: short stacking energy: -38.538
Base-Backbone interact. energy: -1.048
local terms energy: -38.572550
where:
bonds (distance) C4'-P energy: -5.399
bonds (distance) P-C4' energy: -10.390
flat angles C4'-P-C4' energy: -8.647
flat angles P-C4'-P energy: -6.066
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: 5
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -129.810868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.810868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.810868 (E_RNA)
where:
Base-Base interactions energy: -88.483
where: short stacking energy: -42.786
Base-Backbone interact. energy: -1.511
local terms energy: -39.816380
where:
bonds (distance) C4'-P energy: -6.787
bonds (distance) P-C4' energy: -7.597
flat angles C4'-P-C4' energy: -7.547
flat angles P-C4'-P energy: -7.409
tors. eta vs tors. theta energy: -10.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -58.615034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.615034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.615034 (E_RNA)
where:
Base-Base interactions energy: -27.692
where: short stacking energy: -27.692
Base-Backbone interact. energy: -0.005
local terms energy: -30.918059
where:
bonds (distance) C4'-P energy: -8.774
bonds (distance) P-C4' energy: -9.141
flat angles C4'-P-C4' energy: -8.376
flat angles P-C4'-P energy: -1.129
tors. eta vs tors. theta energy: -3.498
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: 141
Temperature: 1.350000
Total energy: -63.281764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.281764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.281764 (E_RNA)
where:
Base-Base interactions energy: -32.946
where: short stacking energy: -29.088
Base-Backbone interact. energy: -0.083
local terms energy: -30.252836
where:
bonds (distance) C4'-P energy: -10.124
bonds (distance) P-C4' energy: -9.348
flat angles C4'-P-C4' energy: -6.422
flat angles P-C4'-P energy: -3.160
tors. eta vs tors. theta energy: -1.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -139.789978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.789978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.789978 (E_RNA)
where:
Base-Base interactions energy: -93.902
where: short stacking energy: -41.626
Base-Backbone interact. energy: -0.684
local terms energy: -45.203917
where:
bonds (distance) C4'-P energy: -7.448
bonds (distance) P-C4' energy: -9.482
flat angles C4'-P-C4' energy: -10.225
flat angles P-C4'-P energy: -8.684
tors. eta vs tors. theta energy: -9.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -140.069900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.069900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.069900 (E_RNA)
where:
Base-Base interactions energy: -96.487
where: short stacking energy: -45.214
Base-Backbone interact. energy: -0.424
local terms energy: -43.158362
where:
bonds (distance) C4'-P energy: -9.697
bonds (distance) P-C4' energy: -10.190
flat angles C4'-P-C4' energy: -9.529
flat angles P-C4'-P energy: -4.755
tors. eta vs tors. theta energy: -8.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -145.442196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.442196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.442196 (E_RNA)
where:
Base-Base interactions energy: -98.564
where: short stacking energy: -41.421
Base-Backbone interact. energy: -1.792
local terms energy: -45.086207
where:
bonds (distance) C4'-P energy: -10.872
bonds (distance) P-C4' energy: -10.684
flat angles C4'-P-C4' energy: -8.439
flat angles P-C4'-P energy: -4.752
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: 4, replica: 3
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -131.406597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.406597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.406597 (E_RNA)
where:
Base-Base interactions energy: -90.481
where: short stacking energy: -41.261
Base-Backbone interact. energy: -0.005
local terms energy: -40.919993
where:
bonds (distance) C4'-P energy: -5.126
bonds (distance) P-C4' energy: -11.131
flat angles C4'-P-C4' energy: -10.519
flat angles P-C4'-P energy: -4.804
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: 5, replica: 9
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -148.843805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.843805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.843805 (E_RNA)
where:
Base-Base interactions energy: -107.813
where: short stacking energy: -42.849
Base-Backbone interact. energy: -0.240
local terms energy: -40.790945
where:
bonds (distance) C4'-P energy: -10.140
bonds (distance) P-C4' energy: -9.453
flat angles C4'-P-C4' energy: -9.744
flat angles P-C4'-P energy: -2.833
tors. eta vs tors. theta energy: -8.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -135.772351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.772351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.772351 (E_RNA)
where:
Base-Base interactions energy: -93.667
where: short stacking energy: -44.640
Base-Backbone interact. energy: -0.049
local terms energy: -42.056636
where:
bonds (distance) C4'-P energy: -7.034
bonds (distance) P-C4' energy: -8.379
flat angles C4'-P-C4' energy: -9.742
flat angles P-C4'-P energy: -6.326
tors. eta vs tors. theta energy: -10.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -129.283092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.283092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.283092 (E_RNA)
where:
Base-Base interactions energy: -91.036
where: short stacking energy: -38.753
Base-Backbone interact. energy: -0.009
local terms energy: -38.238015
where:
bonds (distance) C4'-P energy: -8.173
bonds (distance) P-C4' energy: -5.853
flat angles C4'-P-C4' energy: -9.618
flat angles P-C4'-P energy: -6.547
tors. eta vs tors. theta energy: -8.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -129.158385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.158385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.158385 (E_RNA)
where:
Base-Base interactions energy: -90.355
where: short stacking energy: -41.072
Base-Backbone interact. energy: -0.002
local terms energy: -38.801309
where:
bonds (distance) C4'-P energy: -7.929
bonds (distance) P-C4' energy: -8.830
flat angles C4'-P-C4' energy: -6.450
flat angles P-C4'-P energy: -6.960
tors. eta vs tors. theta energy: -8.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -61.690279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.690279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.690279 (E_RNA)
where:
Base-Base interactions energy: -24.931
where: short stacking energy: -15.677
Base-Backbone interact. energy: -0.087
local terms energy: -36.671834
where:
bonds (distance) C4'-P energy: -6.828
bonds (distance) P-C4' energy: -9.426
flat angles C4'-P-C4' energy: -8.806
flat angles P-C4'-P energy: -6.766
tors. eta vs tors. theta energy: -4.846
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: 142
Temperature: 1.350000
Total energy: -67.900941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.900941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.900941 (E_RNA)
where:
Base-Base interactions energy: -33.584
where: short stacking energy: -33.584
Base-Backbone interact. energy: -0.004
local terms energy: -34.312610
where:
bonds (distance) C4'-P energy: -6.787
bonds (distance) P-C4' energy: -5.439
flat angles C4'-P-C4' energy: -9.875
flat angles P-C4'-P energy: -5.630
tors. eta vs tors. theta energy: -6.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -141.839132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.839132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.839132 (E_RNA)
where:
Base-Base interactions energy: -97.627
where: short stacking energy: -44.445
Base-Backbone interact. energy: 0.372
local terms energy: -44.584292
where:
bonds (distance) C4'-P energy: -9.068
bonds (distance) P-C4' energy: -7.979
flat angles C4'-P-C4' energy: -9.679
flat angles P-C4'-P energy: -8.085
tors. eta vs tors. theta energy: -9.774
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: 1
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -143.665466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.665466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.665466 (E_RNA)
where:
Base-Base interactions energy: -97.251
where: short stacking energy: -46.722
Base-Backbone interact. energy: -1.354
local terms energy: -45.061075
where:
bonds (distance) C4'-P energy: -10.632
bonds (distance) P-C4' energy: -9.671
flat angles C4'-P-C4' energy: -9.850
flat angles P-C4'-P energy: -5.539
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: 3, replica: 10
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -136.213025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.213025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.213025 (E_RNA)
where:
Base-Base interactions energy: -94.838
where: short stacking energy: -39.593
Base-Backbone interact. energy: 1.462
local terms energy: -42.836689
where:
bonds (distance) C4'-P energy: -9.477
bonds (distance) P-C4' energy: -8.844
flat angles C4'-P-C4' energy: -10.296
flat angles P-C4'-P energy: -7.397
tors. eta vs tors. theta energy: -6.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -135.820524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.820524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.820524 (E_RNA)
where:
Base-Base interactions energy: -94.766
where: short stacking energy: -45.131
Base-Backbone interact. energy: -0.005
local terms energy: -41.049444
where:
bonds (distance) C4'-P energy: -8.802
bonds (distance) P-C4' energy: -8.283
flat angles C4'-P-C4' energy: -11.409
flat angles P-C4'-P energy: -5.999
tors. eta vs tors. theta energy: -6.557
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: 3
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -134.882070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.882070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.882070 (E_RNA)
where:
Base-Base interactions energy: -95.566
where: short stacking energy: -37.044
Base-Backbone interact. energy: -0.154
local terms energy: -39.162552
where:
bonds (distance) C4'-P energy: -8.398
bonds (distance) P-C4' energy: -10.895
flat angles C4'-P-C4' energy: -8.628
flat angles P-C4'-P energy: -2.391
tors. eta vs tors. theta energy: -8.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -132.152636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.152636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.152636 (E_RNA)
where:
Base-Base interactions energy: -92.104
where: short stacking energy: -44.373
Base-Backbone interact. energy: 0.142
local terms energy: -40.190615
where:
bonds (distance) C4'-P energy: -8.136
bonds (distance) P-C4' energy: -8.422
flat angles C4'-P-C4' energy: -7.979
flat angles P-C4'-P energy: -7.649
tors. eta vs tors. theta energy: -8.005
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: 143
Temperature: 1.200000
Total energy: -123.101439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.101439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.101439 (E_RNA)
where:
Base-Base interactions energy: -85.978
where: short stacking energy: -41.328
Base-Backbone interact. energy: -1.270
local terms energy: -35.853061
where:
bonds (distance) C4'-P energy: -5.379
bonds (distance) P-C4' energy: -6.578
flat angles C4'-P-C4' energy: -8.364
flat angles P-C4'-P energy: -8.143
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: 8, replica: 4
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -123.930905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.930905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.930905 (E_RNA)
where:
Base-Base interactions energy: -87.884
where: short stacking energy: -37.555
Base-Backbone interact. energy: -0.657
local terms energy: -35.389301
where:
bonds (distance) C4'-P energy: -2.473
bonds (distance) P-C4' energy: -11.106
flat angles C4'-P-C4' energy: -9.412
flat angles P-C4'-P energy: -5.441
tors. eta vs tors. theta energy: -6.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -61.206105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.206105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.206105 (E_RNA)
where:
Base-Base interactions energy: -29.887
where: short stacking energy: -24.201
Base-Backbone interact. energy: -1.279
local terms energy: -30.040623
where:
bonds (distance) C4'-P energy: -7.933
bonds (distance) P-C4' energy: -5.637
flat angles C4'-P-C4' energy: -7.265
flat angles P-C4'-P energy: -4.575
tors. eta vs tors. theta energy: -4.631
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: 143
Temperature: 1.350000
Total energy: -62.743661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.743661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.743661 (E_RNA)
where:
Base-Base interactions energy: -32.686
where: short stacking energy: -17.956
Base-Backbone interact. energy: -0.826
local terms energy: -29.231796
where:
bonds (distance) C4'-P energy: -9.523
bonds (distance) P-C4' energy: -3.940
flat angles C4'-P-C4' energy: -8.491
flat angles P-C4'-P energy: -6.658
tors. eta vs tors. theta energy: -0.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -140.920249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.920249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.920249 (E_RNA)
where:
Base-Base interactions energy: -96.177
where: short stacking energy: -44.773
Base-Backbone interact. energy: -0.378
local terms energy: -44.365614
where:
bonds (distance) C4'-P energy: -8.020
bonds (distance) P-C4' energy: -9.432
flat angles C4'-P-C4' energy: -9.303
flat angles P-C4'-P energy: -7.547
tors. eta vs tors. theta energy: -10.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -144.270183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.270183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.270183 (E_RNA)
where:
Base-Base interactions energy: -98.079
where: short stacking energy: -47.234
Base-Backbone interact. energy: -1.105
local terms energy: -45.086195
where:
bonds (distance) C4'-P energy: -9.118
bonds (distance) P-C4' energy: -9.954
flat angles C4'-P-C4' energy: -7.939
flat angles P-C4'-P energy: -6.935
tors. eta vs tors. theta energy: -11.140
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: 9
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -135.200068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.200068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.200068 (E_RNA)
where:
Base-Base interactions energy: -96.746
where: short stacking energy: -42.900
Base-Backbone interact. energy: -0.052
local terms energy: -38.402289
where:
bonds (distance) C4'-P energy: -7.701
bonds (distance) P-C4' energy: -8.010
flat angles C4'-P-C4' energy: -9.527
flat angles P-C4'-P energy: -4.025
tors. eta vs tors. theta energy: -9.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -142.544940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.544940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.544940 (E_RNA)
where:
Base-Base interactions energy: -98.840
where: short stacking energy: -46.161
Base-Backbone interact. energy: -0.677
local terms energy: -43.027505
where:
bonds (distance) C4'-P energy: -7.656
bonds (distance) P-C4' energy: -10.426
flat angles C4'-P-C4' energy: -8.434
flat angles P-C4'-P energy: -6.843
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: 5, replica: 3
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -138.855954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.855954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.855954 (E_RNA)
where:
Base-Base interactions energy: -92.706
where: short stacking energy: -43.047
Base-Backbone interact. energy: -0.706
local terms energy: -45.443455
where:
bonds (distance) C4'-P energy: -10.099
bonds (distance) P-C4' energy: -9.646
flat angles C4'-P-C4' energy: -8.262
flat angles P-C4'-P energy: -6.860
tors. eta vs tors. theta energy: -10.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -122.334803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.334803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.334803 (E_RNA)
where:
Base-Base interactions energy: -86.281
where: short stacking energy: -34.563
Base-Backbone interact. energy: -0.273
local terms energy: -35.780894
where:
bonds (distance) C4'-P energy: -7.715
bonds (distance) P-C4' energy: -6.061
flat angles C4'-P-C4' energy: -9.437
flat angles P-C4'-P energy: -6.315
tors. eta vs tors. theta energy: -6.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -126.570227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.570227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.570227 (E_RNA)
where:
Base-Base interactions energy: -86.532
where: short stacking energy: -40.778
Base-Backbone interact. energy: -0.047
local terms energy: -39.991577
where:
bonds (distance) C4'-P energy: -4.150
bonds (distance) P-C4' energy: -9.380
flat angles C4'-P-C4' energy: -9.995
flat angles P-C4'-P energy: -7.015
tors. eta vs tors. theta energy: -9.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -123.035311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.035311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.035311 (E_RNA)
where:
Base-Base interactions energy: -83.682
where: short stacking energy: -36.074
Base-Backbone interact. energy: -0.044
local terms energy: -39.309646
where:
bonds (distance) C4'-P energy: -8.306
bonds (distance) P-C4' energy: -7.053
flat angles C4'-P-C4' energy: -9.579
flat angles P-C4'-P energy: -6.644
tors. eta vs tors. theta energy: -7.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -68.038391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.038391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.038391 (E_RNA)
where:
Base-Base interactions energy: -37.137
where: short stacking energy: -37.137
Base-Backbone interact. energy: -0.048
local terms energy: -30.852892
where:
bonds (distance) C4'-P energy: -6.302
bonds (distance) P-C4' energy: -7.371
flat angles C4'-P-C4' energy: -2.751
flat angles P-C4'-P energy: -6.599
tors. eta vs tors. theta energy: -7.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -61.648266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.648266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.648266 (E_RNA)
where:
Base-Base interactions energy: -29.068
where: short stacking energy: -29.068
Base-Backbone interact. energy: -0.049
local terms energy: -32.531634
where:
bonds (distance) C4'-P energy: -7.983
bonds (distance) P-C4' energy: -7.812
flat angles C4'-P-C4' energy: -6.942
flat angles P-C4'-P energy: -5.560
tors. eta vs tors. theta energy: -4.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -141.782170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.782170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.782170 (E_RNA)
where:
Base-Base interactions energy: -98.670
where: short stacking energy: -46.490
Base-Backbone interact. energy: -0.823
local terms energy: -42.289892
where:
bonds (distance) C4'-P energy: -9.833
bonds (distance) P-C4' energy: -9.714
flat angles C4'-P-C4' energy: -7.258
flat angles P-C4'-P energy: -7.176
tors. eta vs tors. theta energy: -8.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -136.645823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.645823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.645823 (E_RNA)
where:
Base-Base interactions energy: -98.258
where: short stacking energy: -45.750
Base-Backbone interact. energy: -0.495
local terms energy: -37.892916
where:
bonds (distance) C4'-P energy: -7.354
bonds (distance) P-C4' energy: -8.841
flat angles C4'-P-C4' energy: -7.495
flat angles P-C4'-P energy: -5.719
tors. eta vs tors. theta energy: -8.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -134.719848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.719848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.719848 (E_RNA)
where:
Base-Base interactions energy: -93.895
where: short stacking energy: -39.771
Base-Backbone interact. energy: -0.024
local terms energy: -40.800908
where:
bonds (distance) C4'-P energy: -8.191
bonds (distance) P-C4' energy: -11.332
flat angles C4'-P-C4' energy: -9.085
flat angles P-C4'-P energy: -2.347
tors. eta vs tors. theta energy: -9.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -135.328014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.328014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.328014 (E_RNA)
where:
Base-Base interactions energy: -101.469
where: short stacking energy: -40.565
Base-Backbone interact. energy: -0.001
local terms energy: -33.857536
where:
bonds (distance) C4'-P energy: -9.088
bonds (distance) P-C4' energy: -7.097
flat angles C4'-P-C4' energy: -7.308
flat angles P-C4'-P energy: -2.118
tors. eta vs tors. theta energy: -8.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -132.420135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.420135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.420135 (E_RNA)
where:
Base-Base interactions energy: -91.237
where: short stacking energy: -41.212
Base-Backbone interact. energy: -1.724
local terms energy: -39.459608
where:
bonds (distance) C4'-P energy: -8.777
bonds (distance) P-C4' energy: -8.846
flat angles C4'-P-C4' energy: -8.514
flat angles P-C4'-P energy: -4.216
tors. eta vs tors. theta energy: -9.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -132.109434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.109434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.109434 (E_RNA)
where:
Base-Base interactions energy: -92.566
where: short stacking energy: -43.194
Base-Backbone interact. energy: -0.956
local terms energy: -38.588210
where:
bonds (distance) C4'-P energy: -5.329
bonds (distance) P-C4' energy: -10.129
flat angles C4'-P-C4' energy: -9.107
flat angles P-C4'-P energy: -4.068
tors. eta vs tors. theta energy: -9.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -129.369169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.369169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.369169 (E_RNA)
where:
Base-Base interactions energy: -90.058
where: short stacking energy: -39.753
Base-Backbone interact. energy: 0.509
local terms energy: -39.820317
where:
bonds (distance) C4'-P energy: -4.717
bonds (distance) P-C4' energy: -8.662
flat angles C4'-P-C4' energy: -10.740
flat angles P-C4'-P energy: -7.215
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: 2
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -126.457289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.457289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.457289 (E_RNA)
where:
Base-Base interactions energy: -85.860
where: short stacking energy: -32.640
Base-Backbone interact. energy: -0.463
local terms energy: -40.134506
where:
bonds (distance) C4'-P energy: -9.155
bonds (distance) P-C4' energy: -10.606
flat angles C4'-P-C4' energy: -8.117
flat angles P-C4'-P energy: -3.356
tors. eta vs tors. theta energy: -8.901
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: 8
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -55.775054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.775054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.775054 (E_RNA)
where:
Base-Base interactions energy: -30.004
where: short stacking energy: -27.560
Base-Backbone interact. energy: -0.264
local terms energy: -25.506743
where:
bonds (distance) C4'-P energy: -8.095
bonds (distance) P-C4' energy: -3.146
flat angles C4'-P-C4' energy: -7.881
flat angles P-C4'-P energy: -3.678
tors. eta vs tors. theta energy: -2.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -63.644770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.644770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.644770 (E_RNA)
where:
Base-Base interactions energy: -29.557
where: short stacking energy: -29.557
Base-Backbone interact. energy: -0.000
local terms energy: -34.087399
where:
bonds (distance) C4'-P energy: -5.491
bonds (distance) P-C4' energy: -7.941
flat angles C4'-P-C4' energy: -7.916
flat angles P-C4'-P energy: -4.997
tors. eta vs tors. theta energy: -7.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -143.239178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.239178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.239178 (E_RNA)
where:
Base-Base interactions energy: -101.426
where: short stacking energy: -42.542
Base-Backbone interact. energy: -0.017
local terms energy: -41.796343
where:
bonds (distance) C4'-P energy: -8.906
bonds (distance) P-C4' energy: -10.634
flat angles C4'-P-C4' energy: -9.294
flat angles P-C4'-P energy: -3.710
tors. eta vs tors. theta energy: -9.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -143.696093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.696093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.696093 (E_RNA)
where:
Base-Base interactions energy: -97.664
where: short stacking energy: -46.432
Base-Backbone interact. energy: -0.261
local terms energy: -45.771246
where:
bonds (distance) C4'-P energy: -10.508
bonds (distance) P-C4' energy: -9.778
flat angles C4'-P-C4' energy: -9.815
flat angles P-C4'-P energy: -6.218
tors. eta vs tors. theta energy: -9.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -141.168584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.168584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.168584 (E_RNA)
where:
Base-Base interactions energy: -93.442
where: short stacking energy: -44.115
Base-Backbone interact. energy: -1.533
local terms energy: -46.193996
where:
bonds (distance) C4'-P energy: -7.009
bonds (distance) P-C4' energy: -10.441
flat angles C4'-P-C4' energy: -10.830
flat angles P-C4'-P energy: -8.347
tors. eta vs tors. theta energy: -9.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -138.109760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.109760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.109760 (E_RNA)
where:
Base-Base interactions energy: -95.051
where: short stacking energy: -41.115
Base-Backbone interact. energy: -0.021
local terms energy: -43.038023
where:
bonds (distance) C4'-P energy: -9.423
bonds (distance) P-C4' energy: -10.873
flat angles C4'-P-C4' energy: -7.598
flat angles P-C4'-P energy: -6.236
tors. eta vs tors. theta energy: -8.908
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: 10
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -129.228492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.228492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.228492 (E_RNA)
where:
Base-Base interactions energy: -85.795
where: short stacking energy: -36.302
Base-Backbone interact. energy: -1.899
local terms energy: -41.534441
where:
bonds (distance) C4'-P energy: -7.334
bonds (distance) P-C4' energy: -9.432
flat angles C4'-P-C4' energy: -8.890
flat angles P-C4'-P energy: -7.378
tors. eta vs tors. theta energy: -8.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -133.039730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.039730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.039730 (E_RNA)
where:
Base-Base interactions energy: -92.065
where: short stacking energy: -45.536
Base-Backbone interact. energy: -0.109
local terms energy: -40.865350
where:
bonds (distance) C4'-P energy: -8.820
bonds (distance) P-C4' energy: -8.784
flat angles C4'-P-C4' energy: -9.974
flat angles P-C4'-P energy: -4.393
tors. eta vs tors. theta energy: -8.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -134.479662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.479662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.479662 (E_RNA)
where:
Base-Base interactions energy: -87.436
where: short stacking energy: -39.012
Base-Backbone interact. energy: -1.848
local terms energy: -45.195555
where:
bonds (distance) C4'-P energy: -9.593
bonds (distance) P-C4' energy: -10.880
flat angles C4'-P-C4' energy: -8.620
flat angles P-C4'-P energy: -6.985
tors. eta vs tors. theta energy: -9.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -111.955663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.955663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.955663 (E_RNA)
where:
Base-Base interactions energy: -78.301
where: short stacking energy: -31.808
Base-Backbone interact. energy: -0.004
local terms energy: -33.650509
where:
bonds (distance) C4'-P energy: -5.801
bonds (distance) P-C4' energy: -9.764
flat angles C4'-P-C4' energy: -8.992
flat angles P-C4'-P energy: -4.854
tors. eta vs tors. theta energy: -4.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -55.771650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.771650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.771650 (E_RNA)
where:
Base-Base interactions energy: -28.493
where: short stacking energy: -28.493
Base-Backbone interact. energy: -0.035
local terms energy: -27.243811
where:
bonds (distance) C4'-P energy: -6.111
bonds (distance) P-C4' energy: -8.570
flat angles C4'-P-C4' energy: -9.106
flat angles P-C4'-P energy: -3.089
tors. eta vs tors. theta energy: -0.368
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: 10, replica: 8
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -67.168974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.168974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.168974 (E_RNA)
where:
Base-Base interactions energy: -25.993
where: short stacking energy: -25.993
Base-Backbone interact. energy: -0.000
local terms energy: -41.176142
where:
bonds (distance) C4'-P energy: -7.167
bonds (distance) P-C4' energy: -10.677
flat angles C4'-P-C4' energy: -9.525
flat angles P-C4'-P energy: -5.792
tors. eta vs tors. theta energy: -8.015
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: 9
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -138.653929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.653929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.653929 (E_RNA)
where:
Base-Base interactions energy: -92.654
where: short stacking energy: -41.296
Base-Backbone interact. energy: -0.270
local terms energy: -45.729291
where:
bonds (distance) C4'-P energy: -9.539
bonds (distance) P-C4' energy: -9.380
flat angles C4'-P-C4' energy: -9.644
flat angles P-C4'-P energy: -5.614
tors. eta vs tors. theta energy: -11.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -144.436143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.436143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.436143 (E_RNA)
where:
Base-Base interactions energy: -99.869
where: short stacking energy: -41.154
Base-Backbone interact. energy: -0.014
local terms energy: -44.552286
where:
bonds (distance) C4'-P energy: -8.057
bonds (distance) P-C4' energy: -10.190
flat angles C4'-P-C4' energy: -10.222
flat angles P-C4'-P energy: -6.226
tors. eta vs tors. theta energy: -9.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -136.386841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.386841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.386841 (E_RNA)
where:
Base-Base interactions energy: -92.892
where: short stacking energy: -45.611
Base-Backbone interact. energy: -1.559
local terms energy: -41.936346
where:
bonds (distance) C4'-P energy: -8.066
bonds (distance) P-C4' energy: -9.598
flat angles C4'-P-C4' energy: -9.172
flat angles P-C4'-P energy: -6.629
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: 4, replica: 10
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -141.864895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.864895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.864895 (E_RNA)
where:
Base-Base interactions energy: -94.088
where: short stacking energy: -44.689
Base-Backbone interact. energy: -0.012
local terms energy: -47.765506
where:
bonds (distance) C4'-P energy: -9.209
bonds (distance) P-C4' energy: -10.845
flat angles C4'-P-C4' energy: -10.443
flat angles P-C4'-P energy: -6.748
tors. eta vs tors. theta energy: -10.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -128.886609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.886609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.886609 (E_RNA)
where:
Base-Base interactions energy: -87.272
where: short stacking energy: -42.214
Base-Backbone interact. energy: -0.008
local terms energy: -41.605936
where:
bonds (distance) C4'-P energy: -8.554
bonds (distance) P-C4' energy: -9.613
flat angles C4'-P-C4' energy: -7.506
flat angles P-C4'-P energy: -6.774
tors. eta vs tors. theta energy: -9.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -134.997869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.997869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.997869 (E_RNA)
where:
Base-Base interactions energy: -94.197
where: short stacking energy: -43.802
Base-Backbone interact. energy: -0.235
local terms energy: -40.565652
where:
bonds (distance) C4'-P energy: -8.849
bonds (distance) P-C4' energy: -8.150
flat angles C4'-P-C4' energy: -10.313
flat angles P-C4'-P energy: -6.620
tors. eta vs tors. theta energy: -6.634
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: 7, replica: 4
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -131.409786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.409786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.409786 (E_RNA)
where:
Base-Base interactions energy: -92.323
where: short stacking energy: -42.769
Base-Backbone interact. energy: -0.091
local terms energy: -38.996307
where:
bonds (distance) C4'-P energy: -8.972
bonds (distance) P-C4' energy: -6.802
flat angles C4'-P-C4' energy: -10.449
flat angles P-C4'-P energy: -4.213
tors. eta vs tors. theta energy: -8.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -122.181947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.181947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.181947 (E_RNA)
where:
Base-Base interactions energy: -81.291
where: short stacking energy: -34.075
Base-Backbone interact. energy: -1.255
local terms energy: -39.635744
where:
bonds (distance) C4'-P energy: -8.049
bonds (distance) P-C4' energy: -8.299
flat angles C4'-P-C4' energy: -8.560
flat angles P-C4'-P energy: -5.914
tors. eta vs tors. theta energy: -8.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -56.751342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.751342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.751342 (E_RNA)
where:
Base-Base interactions energy: -26.660
where: short stacking energy: -26.660
Base-Backbone interact. energy: -0.004
local terms energy: -30.087728
where:
bonds (distance) C4'-P energy: -9.076
bonds (distance) P-C4' energy: -5.943
flat angles C4'-P-C4' energy: -6.792
flat angles P-C4'-P energy: -3.518
tors. eta vs tors. theta energy: -4.760
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: 8
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -57.121646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.121646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.121646 (E_RNA)
where:
Base-Base interactions energy: -19.595
where: short stacking energy: -19.595
Base-Backbone interact. energy: -0.184
local terms energy: -37.342475
where:
bonds (distance) C4'-P energy: -7.614
bonds (distance) P-C4' energy: -9.337
flat angles C4'-P-C4' energy: -8.002
flat angles P-C4'-P energy: -7.018
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: 1, replica: 9
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -145.466923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.466923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.466923 (E_RNA)
where:
Base-Base interactions energy: -99.843
where: short stacking energy: -44.139
Base-Backbone interact. energy: -0.022
local terms energy: -45.601152
where:
bonds (distance) C4'-P energy: -9.432
bonds (distance) P-C4' energy: -10.863
flat angles C4'-P-C4' energy: -10.510
flat angles P-C4'-P energy: -6.216
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: 2, replica: 3
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -147.036475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.036475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.036475 (E_RNA)
where:
Base-Base interactions energy: -109.032
where: short stacking energy: -43.326
Base-Backbone interact. energy: -0.005
local terms energy: -38.000385
where:
bonds (distance) C4'-P energy: -6.873
bonds (distance) P-C4' energy: -10.423
flat angles C4'-P-C4' energy: -6.995
flat angles P-C4'-P energy: -3.436
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: 3, replica: 10
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -139.293430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.293430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.293430 (E_RNA)
where:
Base-Base interactions energy: -94.401
where: short stacking energy: -43.785
Base-Backbone interact. energy: -0.261
local terms energy: -44.631292
where:
bonds (distance) C4'-P energy: -9.266
bonds (distance) P-C4' energy: -10.383
flat angles C4'-P-C4' energy: -10.111
flat angles P-C4'-P energy: -4.231
tors. eta vs tors. theta energy: -10.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -137.734886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.734886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.734886 (E_RNA)
where:
Base-Base interactions energy: -92.405
where: short stacking energy: -43.957
Base-Backbone interact. energy: -1.608
local terms energy: -43.721153
where:
bonds (distance) C4'-P energy: -7.744
bonds (distance) P-C4' energy: -9.580
flat angles C4'-P-C4' energy: -10.823
flat angles P-C4'-P energy: -7.402
tors. eta vs tors. theta energy: -8.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -137.979407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.979407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.979407 (E_RNA)
where:
Base-Base interactions energy: -101.395
where: short stacking energy: -35.673
Base-Backbone interact. energy: -0.493
local terms energy: -36.091205
where:
bonds (distance) C4'-P energy: -8.989
bonds (distance) P-C4' energy: -8.037
flat angles C4'-P-C4' energy: -9.161
flat angles P-C4'-P energy: 0.314
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: 6, replica: 1
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -137.622833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.622833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.622833 (E_RNA)
where:
Base-Base interactions energy: -94.031
where: short stacking energy: -46.249
Base-Backbone interact. energy: -0.008
local terms energy: -43.583377
where:
bonds (distance) C4'-P energy: -9.967
bonds (distance) P-C4' energy: -8.920
flat angles C4'-P-C4' energy: -9.381
flat angles P-C4'-P energy: -5.712
tors. eta vs tors. theta energy: -9.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -121.860108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.860108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.860108 (E_RNA)
where:
Base-Base interactions energy: -83.425
where: short stacking energy: -35.419
Base-Backbone interact. energy: -0.051
local terms energy: -38.383404
where:
bonds (distance) C4'-P energy: -6.475
bonds (distance) P-C4' energy: -7.150
flat angles C4'-P-C4' energy: -9.564
flat angles P-C4'-P energy: -8.172
tors. eta vs tors. theta energy: -7.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -124.917591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.917591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.917591 (E_RNA)
where:
Base-Base interactions energy: -87.074
where: short stacking energy: -34.976
Base-Backbone interact. energy: -0.052
local terms energy: -37.792076
where:
bonds (distance) C4'-P energy: -6.667
bonds (distance) P-C4' energy: -8.690
flat angles C4'-P-C4' energy: -8.786
flat angles P-C4'-P energy: -6.905
tors. eta vs tors. theta energy: -6.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -71.110665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.110665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.110665 (E_RNA)
where:
Base-Base interactions energy: -31.588
where: short stacking energy: -31.588
Base-Backbone interact. energy: -0.001
local terms energy: -39.521731
where:
bonds (distance) C4'-P energy: -8.003
bonds (distance) P-C4' energy: -5.922
flat angles C4'-P-C4' energy: -8.460
flat angles P-C4'-P energy: -7.306
tors. eta vs tors. theta energy: -9.831
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: 148
Temperature: 1.350000
Total energy: -75.509558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.509558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.509558 (E_RNA)
where:
Base-Base interactions energy: -43.585
where: short stacking energy: -16.229
Base-Backbone interact. energy: -0.060
local terms energy: -31.864695
where:
bonds (distance) C4'-P energy: -8.173
bonds (distance) P-C4' energy: -10.226
flat angles C4'-P-C4' energy: -4.638
flat angles P-C4'-P energy: -4.262
tors. eta vs tors. theta energy: -4.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -139.463532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.463532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.463532 (E_RNA)
where:
Base-Base interactions energy: -93.118
where: short stacking energy: -44.903
Base-Backbone interact. energy: -0.291
local terms energy: -46.055076
where:
bonds (distance) C4'-P energy: -9.573
bonds (distance) P-C4' energy: -9.997
flat angles C4'-P-C4' energy: -10.047
flat angles P-C4'-P energy: -6.943
tors. eta vs tors. theta energy: -9.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -137.404900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.404900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.404900 (E_RNA)
where:
Base-Base interactions energy: -90.930
where: short stacking energy: -44.445
Base-Backbone interact. energy: -1.482
local terms energy: -44.992379
where:
bonds (distance) C4'-P energy: -8.128
bonds (distance) P-C4' energy: -11.332
flat angles C4'-P-C4' energy: -10.078
flat angles P-C4'-P energy: -6.511
tors. eta vs tors. theta energy: -8.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -137.061694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.061694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.061694 (E_RNA)
where:
Base-Base interactions energy: -91.877
where: short stacking energy: -46.462
Base-Backbone interact. energy: -1.325
local terms energy: -43.859869
where:
bonds (distance) C4'-P energy: -9.557
bonds (distance) P-C4' energy: -10.908
flat angles C4'-P-C4' energy: -7.247
flat angles P-C4'-P energy: -5.758
tors. eta vs tors. theta energy: -10.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -138.366447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.366447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.366447 (E_RNA)
where:
Base-Base interactions energy: -96.066
where: short stacking energy: -43.853
Base-Backbone interact. energy: -1.191
local terms energy: -41.108692
where:
bonds (distance) C4'-P energy: -8.074
bonds (distance) P-C4' energy: -5.964
flat angles C4'-P-C4' energy: -10.325
flat angles P-C4'-P energy: -7.560
tors. eta vs tors. theta energy: -9.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -135.684412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.684412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.684412 (E_RNA)
where:
Base-Base interactions energy: -96.019
where: short stacking energy: -40.581
Base-Backbone interact. energy: 0.078
local terms energy: -39.743494
where:
bonds (distance) C4'-P energy: -8.845
bonds (distance) P-C4' energy: -8.210
flat angles C4'-P-C4' energy: -9.778
flat angles P-C4'-P energy: -5.356
tors. eta vs tors. theta energy: -7.554
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: 6, replica: 4
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -123.480409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.480409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.480409 (E_RNA)
where:
Base-Base interactions energy: -79.774
where: short stacking energy: -36.746
Base-Backbone interact. energy: -1.299
local terms energy: -42.407250
where:
bonds (distance) C4'-P energy: -8.296
bonds (distance) P-C4' energy: -9.982
flat angles C4'-P-C4' energy: -7.679
flat angles P-C4'-P energy: -7.826
tors. eta vs tors. theta energy: -8.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -131.613006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.613006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.613006 (E_RNA)
where:
Base-Base interactions energy: -89.639
where: short stacking energy: -38.992
Base-Backbone interact. energy: -0.818
local terms energy: -41.155600
where:
bonds (distance) C4'-P energy: -10.069
bonds (distance) P-C4' energy: -7.334
flat angles C4'-P-C4' energy: -8.972
flat angles P-C4'-P energy: -6.439
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: 8, replica: 2
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -126.669599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.669599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.669599 (E_RNA)
where:
Base-Base interactions energy: -93.746
where: short stacking energy: -43.762
Base-Backbone interact. energy: 0.102
local terms energy: -33.025139
where:
bonds (distance) C4'-P energy: -5.979
bonds (distance) P-C4' energy: -6.218
flat angles C4'-P-C4' energy: -7.631
flat angles P-C4'-P energy: -5.635
tors. eta vs tors. theta energy: -7.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -69.220716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.220716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.220716 (E_RNA)
where:
Base-Base interactions energy: -30.522
where: short stacking energy: -24.914
Base-Backbone interact. energy: -0.011
local terms energy: -38.687998
where:
bonds (distance) C4'-P energy: -8.642
bonds (distance) P-C4' energy: -8.333
flat angles C4'-P-C4' energy: -7.544
flat angles P-C4'-P energy: -8.260
tors. eta vs tors. theta energy: -5.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -60.096787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.096787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.096787 (E_RNA)
where:
Base-Base interactions energy: -25.809
where: short stacking energy: -13.043
Base-Backbone interact. energy: -0.083
local terms energy: -34.204616
where:
bonds (distance) C4'-P energy: -8.356
bonds (distance) P-C4' energy: -10.060
flat angles C4'-P-C4' energy: -10.198
flat angles P-C4'-P energy: -5.120
tors. eta vs tors. theta energy: -0.471
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: 10
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -142.310869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.310869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.310869 (E_RNA)
where:
Base-Base interactions energy: -97.778
where: short stacking energy: -45.319
Base-Backbone interact. energy: -0.004
local terms energy: -44.529303
where:
bonds (distance) C4'-P energy: -8.310
bonds (distance) P-C4' energy: -11.131
flat angles C4'-P-C4' energy: -9.774
flat angles P-C4'-P energy: -5.977
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: 2, replica: 9
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -141.587716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.587716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.587716 (E_RNA)
where:
Base-Base interactions energy: -94.532
where: short stacking energy: -42.191
Base-Backbone interact. energy: -0.008
local terms energy: -47.047120
where:
bonds (distance) C4'-P energy: -9.556
bonds (distance) P-C4' energy: -10.444
flat angles C4'-P-C4' energy: -9.523
flat angles P-C4'-P energy: -7.599
tors. eta vs tors. theta energy: -9.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -144.240447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.240447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.240447 (E_RNA)
where:
Base-Base interactions energy: -98.711
where: short stacking energy: -45.578
Base-Backbone interact. energy: -0.563
local terms energy: -44.966223
where:
bonds (distance) C4'-P energy: -7.825
bonds (distance) P-C4' energy: -9.450
flat angles C4'-P-C4' energy: -11.061
flat angles P-C4'-P energy: -7.311
tors. eta vs tors. theta energy: -9.319
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: 3
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -138.955134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.955134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.955134 (E_RNA)
where:
Base-Base interactions energy: -94.906
where: short stacking energy: -43.923
Base-Backbone interact. energy: -1.068
local terms energy: -42.980888
where:
bonds (distance) C4'-P energy: -10.347
bonds (distance) P-C4' energy: -9.019
flat angles C4'-P-C4' energy: -8.822
flat angles P-C4'-P energy: -6.134
tors. eta vs tors. theta energy: -8.659
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: 5, replica: 5
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -138.052967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.052967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.052967 (E_RNA)
where:
Base-Base interactions energy: -102.849
where: short stacking energy: -37.692
Base-Backbone interact. energy: -0.003
local terms energy: -35.200263
where:
bonds (distance) C4'-P energy: -9.937
bonds (distance) P-C4' energy: -10.913
flat angles C4'-P-C4' energy: -9.810
flat angles P-C4'-P energy: 3.538
tors. eta vs tors. theta energy: -8.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -131.768753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.768753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.768753 (E_RNA)
where:
Base-Base interactions energy: -88.364
where: short stacking energy: -38.449
Base-Backbone interact. energy: -0.032
local terms energy: -43.373646
where:
bonds (distance) C4'-P energy: -8.587
bonds (distance) P-C4' energy: -11.357
flat angles C4'-P-C4' energy: -6.033
flat angles P-C4'-P energy: -6.267
tors. eta vs tors. theta energy: -11.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -130.084259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.084259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.084259 (E_RNA)
where:
Base-Base interactions energy: -91.047
where: short stacking energy: -38.438
Base-Backbone interact. energy: -1.633
local terms energy: -37.403635
where:
bonds (distance) C4'-P energy: -5.500
bonds (distance) P-C4' energy: -10.168
flat angles C4'-P-C4' energy: -7.576
flat angles P-C4'-P energy: -5.378
tors. eta vs tors. theta energy: -8.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -126.962846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.962846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.962846 (E_RNA)
where:
Base-Base interactions energy: -86.821
where: short stacking energy: -38.058
Base-Backbone interact. energy: -0.080
local terms energy: -40.061417
where:
bonds (distance) C4'-P energy: -10.268
bonds (distance) P-C4' energy: -8.856
flat angles C4'-P-C4' energy: -9.533
flat angles P-C4'-P energy: -4.829
tors. eta vs tors. theta energy: -6.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -50.991592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.991592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.991592 (E_RNA)
where:
Base-Base interactions energy: -17.743
where: short stacking energy: -11.094
Base-Backbone interact. energy: -0.247
local terms energy: -33.001266
where:
bonds (distance) C4'-P energy: -7.400
bonds (distance) P-C4' energy: -10.376
flat angles C4'-P-C4' energy: -6.946
flat angles P-C4'-P energy: -5.989
tors. eta vs tors. theta energy: -2.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -69.919760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.919760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.919760 (E_RNA)
where:
Base-Base interactions energy: -39.911
where: short stacking energy: -34.070
Base-Backbone interact. energy: -0.112
local terms energy: -29.897339
where:
bonds (distance) C4'-P energy: -3.109
bonds (distance) P-C4' energy: -8.988
flat angles C4'-P-C4' energy: -8.397
flat angles P-C4'-P energy: -4.241
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: 1, replica: 10
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -144.085897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.085897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.085897 (E_RNA)
where:
Base-Base interactions energy: -102.574
where: short stacking energy: -42.207
Base-Backbone interact. energy: -0.314
local terms energy: -41.198196
where:
bonds (distance) C4'-P energy: -7.320
bonds (distance) P-C4' energy: -9.447
flat angles C4'-P-C4' energy: -8.213
flat angles P-C4'-P energy: -6.407
tors. eta vs tors. theta energy: -9.810
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: 9
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -144.925469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.925469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.925469 (E_RNA)
where:
Base-Base interactions energy: -99.054
where: short stacking energy: -46.135
Base-Backbone interact. energy: -2.032
local terms energy: -43.839570
where:
bonds (distance) C4'-P energy: -8.612
bonds (distance) P-C4' energy: -7.996
flat angles C4'-P-C4' energy: -7.488
flat angles P-C4'-P energy: -9.181
tors. eta vs tors. theta energy: -10.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -138.386700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.386700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.386700 (E_RNA)
where:
Base-Base interactions energy: -94.326
where: short stacking energy: -43.908
Base-Backbone interact. energy: -0.855
local terms energy: -43.205145
where:
bonds (distance) C4'-P energy: -9.490
bonds (distance) P-C4' energy: -9.714
flat angles C4'-P-C4' energy: -6.820
flat angles P-C4'-P energy: -6.607
tors. eta vs tors. theta energy: -10.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -137.875804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.875804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.875804 (E_RNA)
where:
Base-Base interactions energy: -91.157
where: short stacking energy: -43.520
Base-Backbone interact. energy: -1.633
local terms energy: -45.085791
where:
bonds (distance) C4'-P energy: -9.274
bonds (distance) P-C4' energy: -9.046
flat angles C4'-P-C4' energy: -9.200
flat angles P-C4'-P energy: -7.167
tors. eta vs tors. theta energy: -10.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -130.784233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.784233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.784233 (E_RNA)
where:
Base-Base interactions energy: -94.216
where: short stacking energy: -38.102
Base-Backbone interact. energy: -0.053
local terms energy: -36.515990
where:
bonds (distance) C4'-P energy: -5.039
bonds (distance) P-C4' energy: -10.634
flat angles C4'-P-C4' energy: -8.249
flat angles P-C4'-P energy: -3.916
tors. eta vs tors. theta energy: -8.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -136.121468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.121468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.121468 (E_RNA)
where:
Base-Base interactions energy: -92.188
where: short stacking energy: -43.456
Base-Backbone interact. energy: -0.270
local terms energy: -43.664200
where:
bonds (distance) C4'-P energy: -7.106
bonds (distance) P-C4' energy: -10.223
flat angles C4'-P-C4' energy: -9.405
flat angles P-C4'-P energy: -6.926
tors. eta vs tors. theta energy: -10.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -120.436623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.436623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.436623 (E_RNA)
where:
Base-Base interactions energy: -82.242
where: short stacking energy: -35.346
Base-Backbone interact. energy: -0.155
local terms energy: -38.039140
where:
bonds (distance) C4'-P energy: -5.760
bonds (distance) P-C4' energy: -10.186
flat angles C4'-P-C4' energy: -7.908
flat angles P-C4'-P energy: -6.306
tors. eta vs tors. theta energy: -7.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -126.001145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.001145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.001145 (E_RNA)
where:
Base-Base interactions energy: -87.130
where: short stacking energy: -39.546
Base-Backbone interact. energy: 0.496
local terms energy: -39.367100
where:
bonds (distance) C4'-P energy: -9.457
bonds (distance) P-C4' energy: -5.414
flat angles C4'-P-C4' energy: -9.093
flat angles P-C4'-P energy: -6.954
tors. eta vs tors. theta energy: -8.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -69.438119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.438119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.438119 (E_RNA)
where:
Base-Base interactions energy: -33.941
where: short stacking energy: -33.941
Base-Backbone interact. energy: -0.002
local terms energy: -35.495470
where:
bonds (distance) C4'-P energy: -9.263
bonds (distance) P-C4' energy: -7.737
flat angles C4'-P-C4' energy: -6.382
flat angles P-C4'-P energy: -4.783
tors. eta vs tors. theta energy: -7.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -69.589632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.589632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.589632 (E_RNA)
where:
Base-Base interactions energy: -31.749
where: short stacking energy: -25.569
Base-Backbone interact. energy: -1.170
local terms energy: -36.669952
where:
bonds (distance) C4'-P energy: -7.424
bonds (distance) P-C4' energy: -9.714
flat angles C4'-P-C4' energy: -6.322
flat angles P-C4'-P energy: -6.944
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: 1, replica: 9
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -141.648579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.648579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.648579 (E_RNA)
where:
Base-Base interactions energy: -97.581
where: short stacking energy: -46.454
Base-Backbone interact. energy: -0.698
local terms energy: -43.369666
where:
bonds (distance) C4'-P energy: -6.413
bonds (distance) P-C4' energy: -9.531
flat angles C4'-P-C4' energy: -10.574
flat angles P-C4'-P energy: -8.054
tors. eta vs tors. theta energy: -8.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -140.211955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.211955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.211955 (E_RNA)
where:
Base-Base interactions energy: -93.883
where: short stacking energy: -43.473
Base-Backbone interact. energy: -0.526
local terms energy: -45.802338
where:
bonds (distance) C4'-P energy: -9.482
bonds (distance) P-C4' energy: -11.346
flat angles C4'-P-C4' energy: -9.211
flat angles P-C4'-P energy: -5.046
tors. eta vs tors. theta energy: -10.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -134.927929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.927929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.927929 (E_RNA)
where:
Base-Base interactions energy: -90.460
where: short stacking energy: -39.058
Base-Backbone interact. energy: -1.263
local terms energy: -43.205732
where:
bonds (distance) C4'-P energy: -9.014
bonds (distance) P-C4' energy: -11.124
flat angles C4'-P-C4' energy: -7.809
flat angles P-C4'-P energy: -5.762
tors. eta vs tors. theta energy: -9.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -138.015892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.015892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.015892 (E_RNA)
where:
Base-Base interactions energy: -94.396
where: short stacking energy: -41.216
Base-Backbone interact. energy: -1.420
local terms energy: -42.199649
where:
bonds (distance) C4'-P energy: -7.585
bonds (distance) P-C4' energy: -9.116
flat angles C4'-P-C4' energy: -9.115
flat angles P-C4'-P energy: -5.697
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: 5, replica: 4
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -130.746903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.746903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.746903 (E_RNA)
where:
Base-Base interactions energy: -88.482
where: short stacking energy: -39.817
Base-Backbone interact. energy: -0.001
local terms energy: -42.264740
where:
bonds (distance) C4'-P energy: -9.415
bonds (distance) P-C4' energy: -9.450
flat angles C4'-P-C4' energy: -8.035
flat angles P-C4'-P energy: -6.495
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: 3
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -128.015713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.015713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.015713 (E_RNA)
where:
Base-Base interactions energy: -89.909
where: short stacking energy: -40.268
Base-Backbone interact. energy: -0.214
local terms energy: -37.893066
where:
bonds (distance) C4'-P energy: -9.208
bonds (distance) P-C4' energy: -9.528
flat angles C4'-P-C4' energy: -9.430
flat angles P-C4'-P energy: -3.240
tors. eta vs tors. theta energy: -6.487
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: 2
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -129.320400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.320400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.320400 (E_RNA)
where:
Base-Base interactions energy: -90.525
where: short stacking energy: -43.106
Base-Backbone interact. energy: 0.033
local terms energy: -38.828151
where:
bonds (distance) C4'-P energy: -8.902
bonds (distance) P-C4' energy: -10.211
flat angles C4'-P-C4' energy: -7.658
flat angles P-C4'-P energy: -3.683
tors. eta vs tors. theta energy: -8.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -129.494910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.494910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.494910 (E_RNA)
where:
Base-Base interactions energy: -88.092
where: short stacking energy: -35.451
Base-Backbone interact. energy: -0.873
local terms energy: -40.530688
where:
bonds (distance) C4'-P energy: -8.136
bonds (distance) P-C4' energy: -8.886
flat angles C4'-P-C4' energy: -8.005
flat angles P-C4'-P energy: -5.420
tors. eta vs tors. theta energy: -10.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -61.019699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.019699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.019699 (E_RNA)
where:
Base-Base interactions energy: -30.402
where: short stacking energy: -30.402
Base-Backbone interact. energy: -0.008
local terms energy: -30.610116
where:
bonds (distance) C4'-P energy: -4.989
bonds (distance) P-C4' energy: -6.368
flat angles C4'-P-C4' energy: -9.579
flat angles P-C4'-P energy: -6.905
tors. eta vs tors. theta energy: -2.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -71.839997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.839997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.839997 (E_RNA)
where:
Base-Base interactions energy: -31.800
where: short stacking energy: -31.800
Base-Backbone interact. energy: -0.000
local terms energy: -40.039647
where:
bonds (distance) C4'-P energy: -8.356
bonds (distance) P-C4' energy: -9.373
flat angles C4'-P-C4' energy: -9.429
flat angles P-C4'-P energy: -3.631
tors. eta vs tors. theta energy: -9.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -140.661246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.661246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.661246 (E_RNA)
where:
Base-Base interactions energy: -94.354
where: short stacking energy: -44.489
Base-Backbone interact. energy: -0.016
local terms energy: -46.291553
where:
bonds (distance) C4'-P energy: -7.983
bonds (distance) P-C4' energy: -10.877
flat angles C4'-P-C4' energy: -10.189
flat angles P-C4'-P energy: -7.534
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: 2, replica: 10
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -133.985641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.985641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.985641 (E_RNA)
where:
Base-Base interactions energy: -91.740
where: short stacking energy: -42.552
Base-Backbone interact. energy: -0.819
local terms energy: -41.426137
where:
bonds (distance) C4'-P energy: -5.283
bonds (distance) P-C4' energy: -11.360
flat angles C4'-P-C4' energy: -9.195
flat angles P-C4'-P energy: -6.433
tors. eta vs tors. theta energy: -9.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -138.460121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.460121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.460121 (E_RNA)
where:
Base-Base interactions energy: -94.459
where: short stacking energy: -46.492
Base-Backbone interact. energy: -2.003
local terms energy: -41.998275
where:
bonds (distance) C4'-P energy: -9.350
bonds (distance) P-C4' energy: -8.209
flat angles C4'-P-C4' energy: -8.578
flat angles P-C4'-P energy: -6.582
tors. eta vs tors. theta energy: -9.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -125.780331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.780331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.780331 (E_RNA)
where:
Base-Base interactions energy: -89.799
where: short stacking energy: -42.723
Base-Backbone interact. energy: 1.485
local terms energy: -37.465652
where:
bonds (distance) C4'-P energy: -4.959
bonds (distance) P-C4' energy: -10.190
flat angles C4'-P-C4' energy: -8.811
flat angles P-C4'-P energy: -5.102
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: 4
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -138.760864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.760864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.760864 (E_RNA)
where:
Base-Base interactions energy: -95.278
where: short stacking energy: -43.816
Base-Backbone interact. energy: -0.719
local terms energy: -42.764279
where:
bonds (distance) C4'-P energy: -9.635
bonds (distance) P-C4' energy: -8.239
flat angles C4'-P-C4' energy: -8.959
flat angles P-C4'-P energy: -7.315
tors. eta vs tors. theta energy: -8.616
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: 2
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -121.479665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.479665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.479665 (E_RNA)
where:
Base-Base interactions energy: -84.173
where: short stacking energy: -36.119
Base-Backbone interact. energy: -0.103
local terms energy: -37.204294
where:
bonds (distance) C4'-P energy: -6.406
bonds (distance) P-C4' energy: -11.106
flat angles C4'-P-C4' energy: -8.301
flat angles P-C4'-P energy: -4.010
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: 7, replica: 3
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -121.924105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.924105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.924105 (E_RNA)
where:
Base-Base interactions energy: -88.128
where: short stacking energy: -34.359
Base-Backbone interact. energy: -0.173
local terms energy: -33.622541
where:
bonds (distance) C4'-P energy: -7.638
bonds (distance) P-C4' energy: -7.153
flat angles C4'-P-C4' energy: -7.581
flat angles P-C4'-P energy: -6.704
tors. eta vs tors. theta energy: -4.546
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: 1
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -132.144215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.144215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.144215 (E_RNA)
where:
Base-Base interactions energy: -91.961
where: short stacking energy: -41.045
Base-Backbone interact. energy: -0.175
local terms energy: -40.008680
where:
bonds (distance) C4'-P energy: -10.516
bonds (distance) P-C4' energy: -7.104
flat angles C4'-P-C4' energy: -8.136
flat angles P-C4'-P energy: -5.664
tors. eta vs tors. theta energy: -8.589
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: 9, replica: 8
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -64.805177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.805177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.805177 (E_RNA)
where:
Base-Base interactions energy: -34.741
where: short stacking energy: -34.741
Base-Backbone interact. energy: -0.001
local terms energy: -30.063076
where:
bonds (distance) C4'-P energy: -9.564
bonds (distance) P-C4' energy: -2.914
flat angles C4'-P-C4' energy: -7.627
flat angles P-C4'-P energy: -5.472
tors. eta vs tors. theta energy: -4.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -55.335245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.335245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.335245 (E_RNA)
where:
Base-Base interactions energy: -23.062
where: short stacking energy: -23.062
Base-Backbone interact. energy: -0.040
local terms energy: -32.233905
where:
bonds (distance) C4'-P energy: -7.825
bonds (distance) P-C4' energy: -10.684
flat angles C4'-P-C4' energy: -4.052
flat angles P-C4'-P energy: -6.052
tors. eta vs tors. theta energy: -3.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -142.770237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.770237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.770237 (E_RNA)
where:
Base-Base interactions energy: -97.107
where: short stacking energy: -40.789
Base-Backbone interact. energy: -0.003
local terms energy: -45.660136
where:
bonds (distance) C4'-P energy: -10.247
bonds (distance) P-C4' energy: -10.098
flat angles C4'-P-C4' energy: -8.403
flat angles P-C4'-P energy: -6.312
tors. eta vs tors. theta energy: -10.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -146.968019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.968019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.968019 (E_RNA)
where:
Base-Base interactions energy: -95.941
where: short stacking energy: -46.546
Base-Backbone interact. energy: -1.903
local terms energy: -49.123864
where:
bonds (distance) C4'-P energy: -10.127
bonds (distance) P-C4' energy: -11.128
flat angles C4'-P-C4' energy: -9.772
flat angles P-C4'-P energy: -8.076
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: 3, replica: 5
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -139.403886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.403886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.403886 (E_RNA)
where:
Base-Base interactions energy: -88.660
where: short stacking energy: -41.205
Base-Backbone interact. energy: -1.316
local terms energy: -49.427585
where:
bonds (distance) C4'-P energy: -9.506
bonds (distance) P-C4' energy: -11.103
flat angles C4'-P-C4' energy: -10.585
flat angles P-C4'-P energy: -8.364
tors. eta vs tors. theta energy: -9.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -131.433890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.433890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.433890 (E_RNA)
where:
Base-Base interactions energy: -89.503
where: short stacking energy: -39.921
Base-Backbone interact. energy: -0.270
local terms energy: -41.660130
where:
bonds (distance) C4'-P energy: -8.749
bonds (distance) P-C4' energy: -8.619
flat angles C4'-P-C4' energy: -10.290
flat angles P-C4'-P energy: -5.464
tors. eta vs tors. theta energy: -8.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -135.132719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.132719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.132719 (E_RNA)
where:
Base-Base interactions energy: -91.402
where: short stacking energy: -41.296
Base-Backbone interact. energy: 1.109
local terms energy: -44.839142
where:
bonds (distance) C4'-P energy: -10.338
bonds (distance) P-C4' energy: -9.267
flat angles C4'-P-C4' energy: -8.292
flat angles P-C4'-P energy: -7.810
tors. eta vs tors. theta energy: -9.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -128.029476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.029476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.029476 (E_RNA)
where:
Base-Base interactions energy: -94.121
where: short stacking energy: -38.584
Base-Backbone interact. energy: -0.051
local terms energy: -33.857240
where:
bonds (distance) C4'-P energy: -3.032
bonds (distance) P-C4' energy: -10.391
flat angles C4'-P-C4' energy: -7.356
flat angles P-C4'-P energy: -4.454
tors. eta vs tors. theta energy: -8.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -132.290037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.290037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.290037 (E_RNA)
where:
Base-Base interactions energy: -96.687
where: short stacking energy: -43.102
Base-Backbone interact. energy: -0.018
local terms energy: -35.585533
where:
bonds (distance) C4'-P energy: -7.880
bonds (distance) P-C4' energy: -6.625
flat angles C4'-P-C4' energy: -9.994
flat angles P-C4'-P energy: -1.160
tors. eta vs tors. theta energy: -9.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -132.434192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.434192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.434192 (E_RNA)
where:
Base-Base interactions energy: -93.190
where: short stacking energy: -43.120
Base-Backbone interact. energy: -0.888
local terms energy: -38.356140
where:
bonds (distance) C4'-P energy: -8.740
bonds (distance) P-C4' energy: -7.566
flat angles C4'-P-C4' energy: -7.986
flat angles P-C4'-P energy: -3.939
tors. eta vs tors. theta energy: -10.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -69.779468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.779468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.779468 (E_RNA)
where:
Base-Base interactions energy: -38.587
where: short stacking energy: -18.856
Base-Backbone interact. energy: -0.336
local terms energy: -30.856335
where:
bonds (distance) C4'-P energy: -9.209
bonds (distance) P-C4' energy: -6.317
flat angles C4'-P-C4' energy: -7.808
flat angles P-C4'-P energy: -5.217
tors. eta vs tors. theta energy: -2.305
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: 6
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -85.203361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.203361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.203361 (E_RNA)
where:
Base-Base interactions energy: -52.649
where: short stacking energy: -24.087
Base-Backbone interact. energy: -0.012
local terms energy: -32.542649
where:
bonds (distance) C4'-P energy: -8.542
bonds (distance) P-C4' energy: -8.640
flat angles C4'-P-C4' energy: -7.151
flat angles P-C4'-P energy: 1.132
tors. eta vs tors. theta energy: -9.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -142.252044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.252044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.252044 (E_RNA)
where:
Base-Base interactions energy: -96.384
where: short stacking energy: -46.450
Base-Backbone interact. energy: -0.598
local terms energy: -45.270229
where:
bonds (distance) C4'-P energy: -9.875
bonds (distance) P-C4' energy: -9.767
flat angles C4'-P-C4' energy: -8.851
flat angles P-C4'-P energy: -7.164
tors. eta vs tors. theta energy: -9.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -141.357618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.357618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.357618 (E_RNA)
where:
Base-Base interactions energy: -99.328
where: short stacking energy: -43.236
Base-Backbone interact. energy: -0.352
local terms energy: -41.677383
where:
bonds (distance) C4'-P energy: -8.206
bonds (distance) P-C4' energy: -8.960
flat angles C4'-P-C4' energy: -8.945
flat angles P-C4'-P energy: -7.226
tors. eta vs tors. theta energy: -8.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -140.122715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.122715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.122715 (E_RNA)
where:
Base-Base interactions energy: -94.069
where: short stacking energy: -43.028
Base-Backbone interact. energy: -1.524
local terms energy: -44.529381
where:
bonds (distance) C4'-P energy: -9.237
bonds (distance) P-C4' energy: -10.666
flat angles C4'-P-C4' energy: -9.294
flat angles P-C4'-P energy: -5.125
tors. eta vs tors. theta energy: -10.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -131.733011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.733011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.733011 (E_RNA)
where:
Base-Base interactions energy: -91.001
where: short stacking energy: -39.111
Base-Backbone interact. energy: -0.003
local terms energy: -40.728718
where:
bonds (distance) C4'-P energy: -8.401
bonds (distance) P-C4' energy: -5.826
flat angles C4'-P-C4' energy: -10.445
flat angles P-C4'-P energy: -7.074
tors. eta vs tors. theta energy: -8.984
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: 7
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -126.958343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.958343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.958343 (E_RNA)
where:
Base-Base interactions energy: -86.047
where: short stacking energy: -38.034
Base-Backbone interact. energy: -0.005
local terms energy: -40.906556
where:
bonds (distance) C4'-P energy: -9.511
bonds (distance) P-C4' energy: -9.622
flat angles C4'-P-C4' energy: -10.354
flat angles P-C4'-P energy: -5.088
tors. eta vs tors. theta energy: -6.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -129.078920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.078920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.078920 (E_RNA)
where:
Base-Base interactions energy: -84.824
where: short stacking energy: -41.143
Base-Backbone interact. energy: 0.511
local terms energy: -44.765647
where:
bonds (distance) C4'-P energy: -10.285
bonds (distance) P-C4' energy: -10.898
flat angles C4'-P-C4' energy: -8.857
flat angles P-C4'-P energy: -5.068
tors. eta vs tors. theta energy: -9.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -123.442448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.442448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.442448 (E_RNA)
where:
Base-Base interactions energy: -84.760
where: short stacking energy: -32.698
Base-Backbone interact. energy: -0.033
local terms energy: -38.649177
where:
bonds (distance) C4'-P energy: -8.682
bonds (distance) P-C4' energy: -10.324
flat angles C4'-P-C4' energy: -9.802
flat angles P-C4'-P energy: -4.965
tors. eta vs tors. theta energy: -4.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -122.322905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.322905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.322905 (E_RNA)
where:
Base-Base interactions energy: -82.004
where: short stacking energy: -40.193
Base-Backbone interact. energy: -0.006
local terms energy: -40.313067
where:
bonds (distance) C4'-P energy: -7.736
bonds (distance) P-C4' energy: -11.360
flat angles C4'-P-C4' energy: -8.338
flat angles P-C4'-P energy: -5.505
tors. eta vs tors. theta energy: -7.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -119.053539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.053539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.053539 (E_RNA)
where:
Base-Base interactions energy: -82.463
where: short stacking energy: -34.983
Base-Backbone interact. energy: -0.506
local terms energy: -36.084469
where:
bonds (distance) C4'-P energy: -6.575
bonds (distance) P-C4' energy: -7.935
flat angles C4'-P-C4' energy: -7.427
flat angles P-C4'-P energy: -5.646
tors. eta vs tors. theta energy: -8.502
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: 10, replica: 6
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -60.925865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.925865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.925865 (E_RNA)
where:
Base-Base interactions energy: -23.811
where: short stacking energy: -23.811
Base-Backbone interact. energy: -0.054
local terms energy: -37.061280
where:
bonds (distance) C4'-P energy: -7.656
bonds (distance) P-C4' energy: -8.373
flat angles C4'-P-C4' energy: -10.071
flat angles P-C4'-P energy: -4.842
tors. eta vs tors. theta energy: -6.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -141.387134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.387134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.387134 (E_RNA)
where:
Base-Base interactions energy: -99.592
where: short stacking energy: -42.281
Base-Backbone interact. energy: -0.095
local terms energy: -41.699777
where:
bonds (distance) C4'-P energy: -9.005
bonds (distance) P-C4' energy: -10.591
flat angles C4'-P-C4' energy: -8.372
flat angles P-C4'-P energy: -5.141
tors. eta vs tors. theta energy: -8.591
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: 2, replica: 9
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -141.818761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.818761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.818761 (E_RNA)
where:
Base-Base interactions energy: -96.994
where: short stacking energy: -45.443
Base-Backbone interact. energy: -1.285
local terms energy: -43.539804
where:
bonds (distance) C4'-P energy: -7.777
bonds (distance) P-C4' energy: -10.849
flat angles C4'-P-C4' energy: -9.737
flat angles P-C4'-P energy: -6.948
tors. eta vs tors. theta energy: -8.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -139.906534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.906534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.906534 (E_RNA)
where:
Base-Base interactions energy: -96.074
where: short stacking energy: -45.024
Base-Backbone interact. energy: -0.752
local terms energy: -43.080526
where:
bonds (distance) C4'-P energy: -9.787
bonds (distance) P-C4' energy: -7.991
flat angles C4'-P-C4' energy: -8.463
flat angles P-C4'-P energy: -7.167
tors. eta vs tors. theta energy: -9.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -139.495073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.495073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.495073 (E_RNA)
where:
Base-Base interactions energy: -99.393
where: short stacking energy: -42.496
Base-Backbone interact. energy: -0.045
local terms energy: -40.057623
where:
bonds (distance) C4'-P energy: -8.633
bonds (distance) P-C4' energy: -9.932
flat angles C4'-P-C4' energy: -8.931
flat angles P-C4'-P energy: -1.997
tors. eta vs tors. theta energy: -10.565
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: 156
Temperature: 1.100000
Total energy: -133.973806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.973806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.973806 (E_RNA)
where:
Base-Base interactions energy: -93.723
where: short stacking energy: -42.795
Base-Backbone interact. energy: -0.273
local terms energy: -39.977430
where:
bonds (distance) C4'-P energy: -7.060
bonds (distance) P-C4' energy: -8.161
flat angles C4'-P-C4' energy: -8.806
flat angles P-C4'-P energy: -7.377
tors. eta vs tors. theta energy: -8.573
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: 6, replica: 7
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -131.577674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.577674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.577674 (E_RNA)
where:
Base-Base interactions energy: -87.909
where: short stacking energy: -38.070
Base-Backbone interact. energy: -1.599
local terms energy: -42.068760
where:
bonds (distance) C4'-P energy: -9.689
bonds (distance) P-C4' energy: -9.812
flat angles C4'-P-C4' energy: -9.398
flat angles P-C4'-P energy: -5.496
tors. eta vs tors. theta energy: -7.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -130.948721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.948721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.948721 (E_RNA)
where:
Base-Base interactions energy: -89.336
where: short stacking energy: -39.965
Base-Backbone interact. energy: -0.059
local terms energy: -41.554036
where:
bonds (distance) C4'-P energy: -9.921
bonds (distance) P-C4' energy: -8.766
flat angles C4'-P-C4' energy: -9.820
flat angles P-C4'-P energy: -3.145
tors. eta vs tors. theta energy: -9.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -116.337508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.337508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.337508 (E_RNA)
where:
Base-Base interactions energy: -82.952
where: short stacking energy: -34.796
Base-Backbone interact. energy: 0.407
local terms energy: -33.792133
where:
bonds (distance) C4'-P energy: -6.195
bonds (distance) P-C4' energy: -6.815
flat angles C4'-P-C4' energy: -10.044
flat angles P-C4'-P energy: -3.115
tors. eta vs tors. theta energy: -7.623
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: 156
Temperature: 1.300000
Total energy: -126.930296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.930296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.930296 (E_RNA)
where:
Base-Base interactions energy: -86.603
where: short stacking energy: -39.041
Base-Backbone interact. energy: -0.211
local terms energy: -40.116642
where:
bonds (distance) C4'-P energy: -7.656
bonds (distance) P-C4' energy: -7.281
flat angles C4'-P-C4' energy: -9.976
flat angles P-C4'-P energy: -6.582
tors. eta vs tors. theta energy: -8.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -74.637848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.637848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.637848 (E_RNA)
where:
Base-Base interactions energy: -37.467
where: short stacking energy: -37.467
Base-Backbone interact. energy: -0.087
local terms energy: -37.083478
where:
bonds (distance) C4'-P energy: -6.804
bonds (distance) P-C4' energy: -10.057
flat angles C4'-P-C4' energy: -9.233
flat angles P-C4'-P energy: -5.736
tors. eta vs tors. theta energy: -5.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -142.332428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.332428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.332428 (E_RNA)
where:
Base-Base interactions energy: -96.114
where: short stacking energy: -44.118
Base-Backbone interact. energy: -0.515
local terms energy: -45.703612
where:
bonds (distance) C4'-P energy: -8.159
bonds (distance) P-C4' energy: -9.528
flat angles C4'-P-C4' energy: -9.923
flat angles P-C4'-P energy: -7.367
tors. eta vs tors. theta energy: -10.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -143.310633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.310633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.310633 (E_RNA)
where:
Base-Base interactions energy: -99.316
where: short stacking energy: -47.314
Base-Backbone interact. energy: -1.073
local terms energy: -42.920976
where:
bonds (distance) C4'-P energy: -8.516
bonds (distance) P-C4' energy: -9.315
flat angles C4'-P-C4' energy: -6.211
flat angles P-C4'-P energy: -7.748
tors. eta vs tors. theta energy: -11.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -140.740668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.740668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.740668 (E_RNA)
where:
Base-Base interactions energy: -96.921
where: short stacking energy: -46.286
Base-Backbone interact. energy: -1.894
local terms energy: -41.925897
where:
bonds (distance) C4'-P energy: -9.102
bonds (distance) P-C4' energy: -9.091
flat angles C4'-P-C4' energy: -7.449
flat angles P-C4'-P energy: -7.574
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: 4, replica: 1
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -132.715958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.715958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.715958 (E_RNA)
where:
Base-Base interactions energy: -86.584
where: short stacking energy: -41.811
Base-Backbone interact. energy: -0.009
local terms energy: -46.122797
where:
bonds (distance) C4'-P energy: -8.720
bonds (distance) P-C4' energy: -8.981
flat angles C4'-P-C4' energy: -9.745
flat angles P-C4'-P energy: -8.127
tors. eta vs tors. theta energy: -10.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -130.980382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.980382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.980382 (E_RNA)
where:
Base-Base interactions energy: -88.270
where: short stacking energy: -38.421
Base-Backbone interact. energy: -0.455
local terms energy: -42.255022
where:
bonds (distance) C4'-P energy: -6.301
bonds (distance) P-C4' energy: -10.898
flat angles C4'-P-C4' energy: -8.373
flat angles P-C4'-P energy: -7.999
tors. eta vs tors. theta energy: -8.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -130.890855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.890855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.890855 (E_RNA)
where:
Base-Base interactions energy: -89.733
where: short stacking energy: -40.235
Base-Backbone interact. energy: -0.533
local terms energy: -40.625078
where:
bonds (distance) C4'-P energy: -7.433
bonds (distance) P-C4' energy: -10.351
flat angles C4'-P-C4' energy: -5.985
flat angles P-C4'-P energy: -5.951
tors. eta vs tors. theta energy: -10.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -129.335872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.335872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.335872 (E_RNA)
where:
Base-Base interactions energy: -90.648
where: short stacking energy: -40.988
Base-Backbone interact. energy: -0.547
local terms energy: -38.140355
where:
bonds (distance) C4'-P energy: -8.331
bonds (distance) P-C4' energy: -8.199
flat angles C4'-P-C4' energy: -7.419
flat angles P-C4'-P energy: -4.512
tors. eta vs tors. theta energy: -9.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -134.953948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.953948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.953948 (E_RNA)
where:
Base-Base interactions energy: -88.080
where: short stacking energy: -41.243
Base-Backbone interact. energy: 0.279
local terms energy: -47.153012
where:
bonds (distance) C4'-P energy: -9.921
bonds (distance) P-C4' energy: -11.131
flat angles C4'-P-C4' energy: -10.392
flat angles P-C4'-P energy: -6.048
tors. eta vs tors. theta energy: -9.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -127.221499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.221499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.221499 (E_RNA)
where:
Base-Base interactions energy: -88.934
where: short stacking energy: -45.085
Base-Backbone interact. energy: -0.932
local terms energy: -37.355527
where:
bonds (distance) C4'-P energy: -7.119
bonds (distance) P-C4' energy: -9.310
flat angles C4'-P-C4' energy: -7.473
flat angles P-C4'-P energy: -5.470
tors. eta vs tors. theta energy: -7.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -61.597548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.597548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.597548 (E_RNA)
where:
Base-Base interactions energy: -29.650
where: short stacking energy: -25.629
Base-Backbone interact. energy: 0.934
local terms energy: -32.881261
where:
bonds (distance) C4'-P energy: -6.708
bonds (distance) P-C4' energy: -9.380
flat angles C4'-P-C4' energy: -9.939
flat angles P-C4'-P energy: -3.060
tors. eta vs tors. theta energy: -3.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -143.013245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.013245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.013245 (E_RNA)
where:
Base-Base interactions energy: -93.402
where: short stacking energy: -41.997
Base-Backbone interact. energy: -1.221
local terms energy: -48.389977
where:
bonds (distance) C4'-P energy: -10.632
bonds (distance) P-C4' energy: -10.429
flat angles C4'-P-C4' energy: -9.884
flat angles P-C4'-P energy: -6.728
tors. eta vs tors. theta energy: -10.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -139.912729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.912729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.912729 (E_RNA)
where:
Base-Base interactions energy: -95.881
where: short stacking energy: -45.840
Base-Backbone interact. energy: -1.633
local terms energy: -42.399563
where:
bonds (distance) C4'-P energy: -8.095
bonds (distance) P-C4' energy: -8.865
flat angles C4'-P-C4' energy: -8.937
flat angles P-C4'-P energy: -7.695
tors. eta vs tors. theta energy: -8.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -135.988307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.988307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.988307 (E_RNA)
where:
Base-Base interactions energy: -96.290
where: short stacking energy: -44.819
Base-Backbone interact. energy: -0.778
local terms energy: -38.920180
where:
bonds (distance) C4'-P energy: -7.494
bonds (distance) P-C4' energy: -10.582
flat angles C4'-P-C4' energy: -7.935
flat angles P-C4'-P energy: -4.487
tors. eta vs tors. theta energy: -8.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -136.770817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.770817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.770817 (E_RNA)
where:
Base-Base interactions energy: -92.644
where: short stacking energy: -43.157
Base-Backbone interact. energy: -0.003
local terms energy: -44.123789
where:
bonds (distance) C4'-P energy: -8.382
bonds (distance) P-C4' energy: -9.478
flat angles C4'-P-C4' energy: -10.007
flat angles P-C4'-P energy: -5.714
tors. eta vs tors. theta energy: -10.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -140.210742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.210742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.210742 (E_RNA)
where:
Base-Base interactions energy: -97.054
where: short stacking energy: -46.595
Base-Backbone interact. energy: -0.002
local terms energy: -43.154800
where:
bonds (distance) C4'-P energy: -7.424
bonds (distance) P-C4' energy: -9.671
flat angles C4'-P-C4' energy: -10.707
flat angles P-C4'-P energy: -7.665
tors. eta vs tors. theta energy: -7.687
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: 158
Temperature: 1.150000
Total energy: -127.918483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.918483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.918483 (E_RNA)
where:
Base-Base interactions energy: -88.009
where: short stacking energy: -40.765
Base-Backbone interact. energy: -0.087
local terms energy: -39.822910
where:
bonds (distance) C4'-P energy: -8.872
bonds (distance) P-C4' energy: -9.245
flat angles C4'-P-C4' energy: -8.723
flat angles P-C4'-P energy: -6.383
tors. eta vs tors. theta energy: -6.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -136.859259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.859259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.859259 (E_RNA)
where:
Base-Base interactions energy: -93.769
where: short stacking energy: -41.156
Base-Backbone interact. energy: -0.401
local terms energy: -42.689859
where:
bonds (distance) C4'-P energy: -8.004
bonds (distance) P-C4' energy: -9.084
flat angles C4'-P-C4' energy: -8.878
flat angles P-C4'-P energy: -6.140
tors. eta vs tors. theta energy: -10.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -127.486861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.486861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.486861 (E_RNA)
where:
Base-Base interactions energy: -91.132
where: short stacking energy: -39.265
Base-Backbone interact. energy: -1.683
local terms energy: -34.671431
where:
bonds (distance) C4'-P energy: -7.168
bonds (distance) P-C4' energy: -9.761
flat angles C4'-P-C4' energy: -3.279
flat angles P-C4'-P energy: -6.756
tors. eta vs tors. theta energy: -7.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -123.767573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.767573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.767573 (E_RNA)
where:
Base-Base interactions energy: -82.472
where: short stacking energy: -35.546
Base-Backbone interact. energy: -0.588
local terms energy: -40.707392
where:
bonds (distance) C4'-P energy: -7.064
bonds (distance) P-C4' energy: -8.690
flat angles C4'-P-C4' energy: -8.966
flat angles P-C4'-P energy: -5.035
tors. eta vs tors. theta energy: -10.952
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: 10, replica: 6
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -59.110610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.110610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.110610 (E_RNA)
where:
Base-Base interactions energy: -28.204
where: short stacking energy: -24.976
Base-Backbone interact. energy: -0.083
local terms energy: -30.823635
where:
bonds (distance) C4'-P energy: -4.320
bonds (distance) P-C4' energy: -8.827
flat angles C4'-P-C4' energy: -7.504
flat angles P-C4'-P energy: -8.163
tors. eta vs tors. theta energy: -2.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -141.468593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.468593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.468593 (E_RNA)
where:
Base-Base interactions energy: -98.097
where: short stacking energy: -45.892
Base-Backbone interact. energy: -1.746
local terms energy: -41.625381
where:
bonds (distance) C4'-P energy: -8.294
bonds (distance) P-C4' energy: -9.100
flat angles C4'-P-C4' energy: -8.349
flat angles P-C4'-P energy: -7.693
tors. eta vs tors. theta energy: -8.189
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: 2, replica: 1
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -142.712386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.712386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.712386 (E_RNA)
where:
Base-Base interactions energy: -97.377
where: short stacking energy: -45.889
Base-Backbone interact. energy: -0.926
local terms energy: -44.409384
where:
bonds (distance) C4'-P energy: -10.053
bonds (distance) P-C4' energy: -9.699
flat angles C4'-P-C4' energy: -9.210
flat angles P-C4'-P energy: -6.324
tors. eta vs tors. theta energy: -9.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -136.904981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.904981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.904981 (E_RNA)
where:
Base-Base interactions energy: -91.308
where: short stacking energy: -43.987
Base-Backbone interact. energy: -0.003
local terms energy: -45.593561
where:
bonds (distance) C4'-P energy: -9.564
bonds (distance) P-C4' energy: -10.200
flat angles C4'-P-C4' energy: -8.477
flat angles P-C4'-P energy: -6.250
tors. eta vs tors. theta energy: -11.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -135.254979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.254979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.254979 (E_RNA)
where:
Base-Base interactions energy: -91.883
where: short stacking energy: -40.560
Base-Backbone interact. energy: -0.621
local terms energy: -42.750641
where:
bonds (distance) C4'-P energy: -9.130
bonds (distance) P-C4' energy: -7.766
flat angles C4'-P-C4' energy: -9.064
flat angles P-C4'-P energy: -7.105
tors. eta vs tors. theta energy: -9.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -128.024981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.024981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.024981 (E_RNA)
where:
Base-Base interactions energy: -86.541
where: short stacking energy: -35.588
Base-Backbone interact. energy: -0.006
local terms energy: -41.478803
where:
bonds (distance) C4'-P energy: -8.738
bonds (distance) P-C4' energy: -8.941
flat angles C4'-P-C4' energy: -9.714
flat angles P-C4'-P energy: -6.356
tors. eta vs tors. theta energy: -7.731
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: 8
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -127.780003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.780003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.780003 (E_RNA)
where:
Base-Base interactions energy: -83.620
where: short stacking energy: -37.390
Base-Backbone interact. energy: -0.027
local terms energy: -44.133821
where:
bonds (distance) C4'-P energy: -9.983
bonds (distance) P-C4' energy: -10.582
flat angles C4'-P-C4' energy: -9.725
flat angles P-C4'-P energy: -6.578
tors. eta vs tors. theta energy: -7.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -129.402756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.402756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.402756 (E_RNA)
where:
Base-Base interactions energy: -94.432
where: short stacking energy: -40.116
Base-Backbone interact. energy: -0.040
local terms energy: -34.930343
where:
bonds (distance) C4'-P energy: -8.835
bonds (distance) P-C4' energy: -7.365
flat angles C4'-P-C4' energy: -8.847
flat angles P-C4'-P energy: -2.815
tors. eta vs tors. theta energy: -7.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -120.602726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.602726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.602726 (E_RNA)
where:
Base-Base interactions energy: -84.507
where: short stacking energy: -35.743
Base-Backbone interact. energy: -0.124
local terms energy: -35.971580
where:
bonds (distance) C4'-P energy: -7.193
bonds (distance) P-C4' energy: -9.610
flat angles C4'-P-C4' energy: -8.052
flat angles P-C4'-P energy: -3.210
tors. eta vs tors. theta energy: -7.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -120.543507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.543507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.543507 (E_RNA)
where:
Base-Base interactions energy: -88.054
where: short stacking energy: -34.319
Base-Backbone interact. energy: -0.001
local terms energy: -32.488889
where:
bonds (distance) C4'-P energy: -8.952
bonds (distance) P-C4' energy: -8.217
flat angles C4'-P-C4' energy: -7.711
flat angles P-C4'-P energy: -1.189
tors. eta vs tors. theta energy: -6.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -49.109567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.109567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.109567 (E_RNA)
where:
Base-Base interactions energy: -26.744
where: short stacking energy: -14.705
Base-Backbone interact. energy: 0.204
local terms energy: -22.570076
where:
bonds (distance) C4'-P energy: -7.122
bonds (distance) P-C4' energy: -7.844
flat angles C4'-P-C4' energy: -5.493
flat angles P-C4'-P energy: -3.072
tors. eta vs tors. theta energy: 0.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -143.912514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.912514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.912514 (E_RNA)
where:
Base-Base interactions energy: -96.558
where: short stacking energy: -43.912
Base-Backbone interact. energy: -0.842
local terms energy: -46.512467
where:
bonds (distance) C4'-P energy: -9.139
bonds (distance) P-C4' energy: -9.803
flat angles C4'-P-C4' energy: -10.232
flat angles P-C4'-P energy: -6.829
tors. eta vs tors. theta energy: -10.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -139.934518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.934518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.934518 (E_RNA)
where:
Base-Base interactions energy: -94.092
where: short stacking energy: -45.902
Base-Backbone interact. energy: -1.140
local terms energy: -44.702368
where:
bonds (distance) C4'-P energy: -9.539
bonds (distance) P-C4' energy: -10.821
flat angles C4'-P-C4' energy: -9.870
flat angles P-C4'-P energy: -5.299
tors. eta vs tors. theta energy: -9.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -136.588297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.588297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.588297 (E_RNA)
where:
Base-Base interactions energy: -92.383
where: short stacking energy: -42.799
Base-Backbone interact. energy: -0.002
local terms energy: -44.202979
where:
bonds (distance) C4'-P energy: -8.501
bonds (distance) P-C4' energy: -9.851
flat angles C4'-P-C4' energy: -8.758
flat angles P-C4'-P energy: -8.014
tors. eta vs tors. theta energy: -9.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -135.521870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.521870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.521870 (E_RNA)
where:
Base-Base interactions energy: -91.503
where: short stacking energy: -45.582
Base-Backbone interact. energy: -0.020
local terms energy: -43.999582
where:
bonds (distance) C4'-P energy: -8.435
bonds (distance) P-C4' energy: -10.162
flat angles C4'-P-C4' energy: -10.295
flat angles P-C4'-P energy: -6.460
tors. eta vs tors. theta energy: -8.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -136.612257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.612257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.612257 (E_RNA)
where:
Base-Base interactions energy: -92.545
where: short stacking energy: -39.382
Base-Backbone interact. energy: -0.180
local terms energy: -43.887184
where:
bonds (distance) C4'-P energy: -10.401
bonds (distance) P-C4' energy: -11.099
flat angles C4'-P-C4' energy: -10.411
flat angles P-C4'-P energy: -4.717
tors. eta vs tors. theta energy: -7.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -133.584564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.584564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.584564 (E_RNA)
where:
Base-Base interactions energy: -91.731
where: short stacking energy: -42.104
Base-Backbone interact. energy: -1.446
local terms energy: -40.407265
where:
bonds (distance) C4'-P energy: -6.777
bonds (distance) P-C4' energy: -8.238
flat angles C4'-P-C4' energy: -8.919
flat angles P-C4'-P energy: -7.549
tors. eta vs tors. theta energy: -8.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -123.035839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.035839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.035839 (E_RNA)
where:
Base-Base interactions energy: -83.132
where: short stacking energy: -37.497
Base-Backbone interact. energy: -1.974
local terms energy: -37.929214
where:
bonds (distance) C4'-P energy: -6.224
bonds (distance) P-C4' energy: -9.289
flat angles C4'-P-C4' energy: -8.203
flat angles P-C4'-P energy: -5.696
tors. eta vs tors. theta energy: -8.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -123.889681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.889681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.889681 (E_RNA)
where:
Base-Base interactions energy: -89.178
where: short stacking energy: -35.883
Base-Backbone interact. energy: -0.003
local terms energy: -34.709247
where:
bonds (distance) C4'-P energy: -9.528
bonds (distance) P-C4' energy: -6.654
flat angles C4'-P-C4' energy: -8.579
flat angles P-C4'-P energy: -5.358
tors. eta vs tors. theta energy: -4.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -120.746457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.746457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.746457 (E_RNA)
where:
Base-Base interactions energy: -89.567
where: short stacking energy: -38.223
Base-Backbone interact. energy: -2.120
local terms energy: -29.059466
where:
bonds (distance) C4'-P energy: -7.015
bonds (distance) P-C4' energy: -7.643
flat angles C4'-P-C4' energy: -8.662
flat angles P-C4'-P energy: -0.534
tors. eta vs tors. theta energy: -5.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -57.312273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.312273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.312273 (E_RNA)
where:
Base-Base interactions energy: -24.820
where: short stacking energy: -16.605
Base-Backbone interact. energy: -0.101
local terms energy: -32.391278
where:
bonds (distance) C4'-P energy: -8.493
bonds (distance) P-C4' energy: -10.616
flat angles C4'-P-C4' energy: -3.644
flat angles P-C4'-P energy: -7.566
tors. eta vs tors. theta energy: -2.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -144.108103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.108103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.108103 (E_RNA)
where:
Base-Base interactions energy: -95.835
where: short stacking energy: -46.188
Base-Backbone interact. energy: -1.105
local terms energy: -47.168046
where:
bonds (distance) C4'-P energy: -9.779
bonds (distance) P-C4' energy: -9.305
flat angles C4'-P-C4' energy: -10.498
flat angles P-C4'-P energy: -8.647
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: 2, replica: 9
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -139.883417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.883417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.883417 (E_RNA)
where:
Base-Base interactions energy: -93.517
where: short stacking energy: -45.075
Base-Backbone interact. energy: -1.773
local terms energy: -44.593901
where:
bonds (distance) C4'-P energy: -7.487
bonds (distance) P-C4' energy: -9.528
flat angles C4'-P-C4' energy: -7.788
flat angles P-C4'-P energy: -9.236
tors. eta vs tors. theta energy: -10.555
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: 10
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -138.559428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.559428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.559428 (E_RNA)
where:
Base-Base interactions energy: -90.658
where: short stacking energy: -42.131
Base-Backbone interact. energy: -0.001
local terms energy: -47.900127
where:
bonds (distance) C4'-P energy: -8.766
bonds (distance) P-C4' energy: -11.128
flat angles C4'-P-C4' energy: -10.337
flat angles P-C4'-P energy: -7.671
tors. eta vs tors. theta energy: -9.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -138.614360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.614360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.614360 (E_RNA)
where:
Base-Base interactions energy: -92.823
where: short stacking energy: -44.607
Base-Backbone interact. energy: -0.828
local terms energy: -44.963325
where:
bonds (distance) C4'-P energy: -7.159
bonds (distance) P-C4' energy: -10.647
flat angles C4'-P-C4' energy: -9.351
flat angles P-C4'-P energy: -7.366
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: 5, replica: 5
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -141.582569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.582569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.582569 (E_RNA)
where:
Base-Base interactions energy: -106.711
where: short stacking energy: -38.810
Base-Backbone interact. energy: -0.028
local terms energy: -34.843610
where:
bonds (distance) C4'-P energy: -8.401
bonds (distance) P-C4' energy: -10.376
flat angles C4'-P-C4' energy: -5.096
flat angles P-C4'-P energy: -1.691
tors. eta vs tors. theta energy: -9.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -128.332760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.332760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.332760 (E_RNA)
where:
Base-Base interactions energy: -89.657
where: short stacking energy: -40.535
Base-Backbone interact. energy: -0.011
local terms energy: -38.665147
where:
bonds (distance) C4'-P energy: -9.469
bonds (distance) P-C4' energy: -5.727
flat angles C4'-P-C4' energy: -10.236
flat angles P-C4'-P energy: -4.581
tors. eta vs tors. theta energy: -8.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -125.161526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.161526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.161526 (E_RNA)
where:
Base-Base interactions energy: -86.935
where: short stacking energy: -34.683
Base-Backbone interact. energy: -0.194
local terms energy: -38.032425
where:
bonds (distance) C4'-P energy: -9.495
bonds (distance) P-C4' energy: -6.657
flat angles C4'-P-C4' energy: -7.764
flat angles P-C4'-P energy: -4.981
tors. eta vs tors. theta energy: -9.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -117.874601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.874601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.874601 (E_RNA)
where:
Base-Base interactions energy: -78.552
where: short stacking energy: -33.924
Base-Backbone interact. energy: -0.009
local terms energy: -39.314462
where:
bonds (distance) C4'-P energy: -5.894
bonds (distance) P-C4' energy: -10.873
flat angles C4'-P-C4' energy: -6.393
flat angles P-C4'-P energy: -6.272
tors. eta vs tors. theta energy: -9.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -122.667292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.667292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.667292 (E_RNA)
where:
Base-Base interactions energy: -85.006
where: short stacking energy: -41.088
Base-Backbone interact. energy: -0.069
local terms energy: -37.592311
where:
bonds (distance) C4'-P energy: -10.454
bonds (distance) P-C4' energy: -9.591
flat angles C4'-P-C4' energy: -5.470
flat angles P-C4'-P energy: -1.822
tors. eta vs tors. theta energy: -10.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -59.583562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.583562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.583562 (E_RNA)
where:
Base-Base interactions energy: -27.823
where: short stacking energy: -27.823
Base-Backbone interact. energy: 2.498
local terms energy: -34.258195
where:
bonds (distance) C4'-P energy: -10.214
bonds (distance) P-C4' energy: -7.548
flat angles C4'-P-C4' energy: -6.944
flat angles P-C4'-P energy: -3.942
tors. eta vs tors. theta energy: -5.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -142.757453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.757453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.757453 (E_RNA)
where:
Base-Base interactions energy: -95.264
where: short stacking energy: -44.075
Base-Backbone interact. energy: -0.111
local terms energy: -47.381657
where:
bonds (distance) C4'-P energy: -10.616
bonds (distance) P-C4' energy: -10.458
flat angles C4'-P-C4' energy: -8.817
flat angles P-C4'-P energy: -7.863
tors. eta vs tors. theta energy: -9.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -141.802845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.802845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.802845 (E_RNA)
where:
Base-Base interactions energy: -98.071
where: short stacking energy: -46.271
Base-Backbone interact. energy: -0.000
local terms energy: -43.731575
where:
bonds (distance) C4'-P energy: -9.093
bonds (distance) P-C4' energy: -9.252
flat angles C4'-P-C4' energy: -10.014
flat angles P-C4'-P energy: -6.051
tors. eta vs tors. theta energy: -9.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -139.104213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.104213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.104213 (E_RNA)
where:
Base-Base interactions energy: -92.111
where: short stacking energy: -44.383
Base-Backbone interact. energy: -0.013
local terms energy: -46.980730
where:
bonds (distance) C4'-P energy: -9.895
bonds (distance) P-C4' energy: -10.448
flat angles C4'-P-C4' energy: -8.571
flat angles P-C4'-P energy: -6.590
tors. eta vs tors. theta energy: -11.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -136.694631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.694631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.694631 (E_RNA)
where:
Base-Base interactions energy: -91.658
where: short stacking energy: -43.324
Base-Backbone interact. energy: -1.303
local terms energy: -43.733415
where:
bonds (distance) C4'-P energy: -10.223
bonds (distance) P-C4' energy: -9.827
flat angles C4'-P-C4' energy: -7.993
flat angles P-C4'-P energy: -5.470
tors. eta vs tors. theta energy: -10.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -129.782746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.782746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.782746 (E_RNA)
where:
Base-Base interactions energy: -88.299
where: short stacking energy: -38.674
Base-Backbone interact. energy: -0.010
local terms energy: -41.473542
where:
bonds (distance) C4'-P energy: -9.895
bonds (distance) P-C4' energy: -7.953
flat angles C4'-P-C4' energy: -10.479
flat angles P-C4'-P energy: -6.385
tors. eta vs tors. theta energy: -6.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -141.277697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.277697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.277697 (E_RNA)
where:
Base-Base interactions energy: -102.146
where: short stacking energy: -42.263
Base-Backbone interact. energy: -0.058
local terms energy: -39.073089
where:
bonds (distance) C4'-P energy: -9.929
bonds (distance) P-C4' energy: -7.700
flat angles C4'-P-C4' energy: -7.772
flat angles P-C4'-P energy: -4.464
tors. eta vs tors. theta energy: -9.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -128.893544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.893544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.893544 (E_RNA)
where:
Base-Base interactions energy: -89.428
where: short stacking energy: -41.743
Base-Backbone interact. energy: -0.044
local terms energy: -39.421350
where:
bonds (distance) C4'-P energy: -9.192
bonds (distance) P-C4' energy: -11.131
flat angles C4'-P-C4' energy: -7.368
flat angles P-C4'-P energy: -4.007
tors. eta vs tors. theta energy: -7.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -110.655619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.655619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.655619 (E_RNA)
where:
Base-Base interactions energy: -74.162
where: short stacking energy: -31.487
Base-Backbone interact. energy: -0.097
local terms energy: -36.396521
where:
bonds (distance) C4'-P energy: -5.454
bonds (distance) P-C4' energy: -10.376
flat angles C4'-P-C4' energy: -10.490
flat angles P-C4'-P energy: -5.192
tors. eta vs tors. theta energy: -4.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -54.021417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.021417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.021417 (E_RNA)
where:
Base-Base interactions energy: -21.980
where: short stacking energy: -21.980
Base-Backbone interact. energy: -0.086
local terms energy: -31.955813
where:
bonds (distance) C4'-P energy: -7.176
bonds (distance) P-C4' energy: -8.070
flat angles C4'-P-C4' energy: -9.481
flat angles P-C4'-P energy: -3.495
tors. eta vs tors. theta energy: -3.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -108.677906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.677906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.677906 (E_RNA)
where:
Base-Base interactions energy: -80.694
where: short stacking energy: -32.778
Base-Backbone interact. energy: -0.872
local terms energy: -27.111697
where:
bonds (distance) C4'-P energy: -6.998
bonds (distance) P-C4' energy: -8.263
flat angles C4'-P-C4' energy: -0.923
flat angles P-C4'-P energy: -6.035
tors. eta vs tors. theta energy: -4.892
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: 1, replica: 9
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -138.934202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.934202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.934202 (E_RNA)
where:
Base-Base interactions energy: -93.116
where: short stacking energy: -39.294
Base-Backbone interact. energy: -0.004
local terms energy: -45.814360
where:
bonds (distance) C4'-P energy: -9.593
bonds (distance) P-C4' energy: -11.113
flat angles C4'-P-C4' energy: -7.917
flat angles P-C4'-P energy: -8.459
tors. eta vs tors. theta energy: -8.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -138.341190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.341190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.341190 (E_RNA)
where:
Base-Base interactions energy: -95.371
where: short stacking energy: -44.869
Base-Backbone interact. energy: -0.006
local terms energy: -42.964730
where:
bonds (distance) C4'-P energy: -6.638
bonds (distance) P-C4' energy: -10.634
flat angles C4'-P-C4' energy: -11.249
flat angles P-C4'-P energy: -4.196
tors. eta vs tors. theta energy: -10.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -138.154871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.154871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.154871 (E_RNA)
where:
Base-Base interactions energy: -94.520
where: short stacking energy: -45.448
Base-Backbone interact. energy: -1.891
local terms energy: -41.744118
where:
bonds (distance) C4'-P energy: -8.737
bonds (distance) P-C4' energy: -9.048
flat angles C4'-P-C4' energy: -8.561
flat angles P-C4'-P energy: -6.099
tors. eta vs tors. theta energy: -9.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -136.186440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.186440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.186440 (E_RNA)
where:
Base-Base interactions energy: -93.070
where: short stacking energy: -47.080
Base-Backbone interact. energy: -0.424
local terms energy: -42.692564
where:
bonds (distance) C4'-P energy: -8.124
bonds (distance) P-C4' energy: -7.489
flat angles C4'-P-C4' energy: -9.937
flat angles P-C4'-P energy: -7.503
tors. eta vs tors. theta energy: -9.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -136.083244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.083244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.083244 (E_RNA)
where:
Base-Base interactions energy: -95.025
where: short stacking energy: -42.874
Base-Backbone interact. energy: -0.781
local terms energy: -40.277277
where:
bonds (distance) C4'-P energy: -9.494
bonds (distance) P-C4' energy: -6.509
flat angles C4'-P-C4' energy: -8.300
flat angles P-C4'-P energy: -7.116
tors. eta vs tors. theta energy: -8.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -132.096031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.096031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.096031 (E_RNA)
where:
Base-Base interactions energy: -91.583
where: short stacking energy: -43.433
Base-Backbone interact. energy: -0.001
local terms energy: -40.512617
where:
bonds (distance) C4'-P energy: -6.874
bonds (distance) P-C4' energy: -8.460
flat angles C4'-P-C4' energy: -10.615
flat angles P-C4'-P energy: -4.953
tors. eta vs tors. theta energy: -9.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -120.090131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.090131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.090131 (E_RNA)
where:
Base-Base interactions energy: -82.813
where: short stacking energy: -39.077
Base-Backbone interact. energy: -0.518
local terms energy: -36.759521
where:
bonds (distance) C4'-P energy: -8.248
bonds (distance) P-C4' energy: -7.243
flat angles C4'-P-C4' energy: -9.712
flat angles P-C4'-P energy: -3.568
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: 4
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -117.081193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.081193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.081193 (E_RNA)
where:
Base-Base interactions energy: -81.000
where: short stacking energy: -35.666
Base-Backbone interact. energy: -0.464
local terms energy: -35.616379
where:
bonds (distance) C4'-P energy: -9.565
bonds (distance) P-C4' energy: -7.352
flat angles C4'-P-C4' energy: -7.751
flat angles P-C4'-P energy: -4.368
tors. eta vs tors. theta energy: -6.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -57.789640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.789640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.789640 (E_RNA)
where:
Base-Base interactions energy: -20.113
where: short stacking energy: -20.113
Base-Backbone interact. energy: -0.006
local terms energy: -37.670471
where:
bonds (distance) C4'-P energy: -10.152
bonds (distance) P-C4' energy: -10.215
flat angles C4'-P-C4' energy: -7.490
flat angles P-C4'-P energy: -5.706
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: 10, replica: 3
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -114.201058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.201058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.201058 (E_RNA)
where:
Base-Base interactions energy: -80.626
where: short stacking energy: -34.651
Base-Backbone interact. energy: -0.033
local terms energy: -33.541697
where:
bonds (distance) C4'-P energy: -7.097
bonds (distance) P-C4' energy: -6.764
flat angles C4'-P-C4' energy: -8.405
flat angles P-C4'-P energy: -2.778
tors. eta vs tors. theta energy: -8.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -144.073597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.073597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.073597 (E_RNA)
where:
Base-Base interactions energy: -98.468
where: short stacking energy: -46.778
Base-Backbone interact. energy: -0.011
local terms energy: -45.594333
where:
bonds (distance) C4'-P energy: -8.463
bonds (distance) P-C4' energy: -10.448
flat angles C4'-P-C4' energy: -9.384
flat angles P-C4'-P energy: -8.097
tors. eta vs tors. theta energy: -9.203
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: 9
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -141.783573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.783573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.783573 (E_RNA)
where:
Base-Base interactions energy: -96.540
where: short stacking energy: -44.757
Base-Backbone interact. energy: -0.547
local terms energy: -44.696532
where:
bonds (distance) C4'-P energy: -9.138
bonds (distance) P-C4' energy: -9.799
flat angles C4'-P-C4' energy: -8.388
flat angles P-C4'-P energy: -7.047
tors. eta vs tors. theta energy: -10.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -135.309042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.309042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.309042 (E_RNA)
where:
Base-Base interactions energy: -93.706
where: short stacking energy: -43.910
Base-Backbone interact. energy: -0.009
local terms energy: -41.593484
where:
bonds (distance) C4'-P energy: -7.594
bonds (distance) P-C4' energy: -9.116
flat angles C4'-P-C4' energy: -9.512
flat angles P-C4'-P energy: -4.922
tors. eta vs tors. theta energy: -10.450
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: 1
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -136.423000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.423000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.423000 (E_RNA)
where:
Base-Base interactions energy: -93.704
where: short stacking energy: -42.816
Base-Backbone interact. energy: -2.274
local terms energy: -40.444783
where:
bonds (distance) C4'-P energy: -9.593
bonds (distance) P-C4' energy: -5.983
flat angles C4'-P-C4' energy: -8.774
flat angles P-C4'-P energy: -5.553
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: 5, replica: 10
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -134.553536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.553536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.553536 (E_RNA)
where:
Base-Base interactions energy: -88.327
where: short stacking energy: -41.096
Base-Backbone interact. energy: 0.744
local terms energy: -46.970820
where:
bonds (distance) C4'-P energy: -8.657
bonds (distance) P-C4' energy: -10.208
flat angles C4'-P-C4' energy: -10.352
flat angles P-C4'-P energy: -7.853
tors. eta vs tors. theta energy: -9.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -130.941154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.941154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.941154 (E_RNA)
where:
Base-Base interactions energy: -94.216
where: short stacking energy: -40.755
Base-Backbone interact. energy: -0.248
local terms energy: -36.476488
where:
bonds (distance) C4'-P energy: -7.602
bonds (distance) P-C4' energy: -7.030
flat angles C4'-P-C4' energy: -8.085
flat angles P-C4'-P energy: -4.975
tors. eta vs tors. theta energy: -8.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -126.127891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.127891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.127891 (E_RNA)
where:
Base-Base interactions energy: -88.446
where: short stacking energy: -39.339
Base-Backbone interact. energy: -0.020
local terms energy: -37.661786
where:
bonds (distance) C4'-P energy: -7.557
bonds (distance) P-C4' energy: -7.318
flat angles C4'-P-C4' energy: -9.158
flat angles P-C4'-P energy: -6.503
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: 8, replica: 5
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -130.657819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.657819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.657819 (E_RNA)
where:
Base-Base interactions energy: -94.798
where: short stacking energy: -44.628
Base-Backbone interact. energy: 0.330
local terms energy: -36.189742
where:
bonds (distance) C4'-P energy: -9.022
bonds (distance) P-C4' energy: -5.650
flat angles C4'-P-C4' energy: -9.763
flat angles P-C4'-P energy: -2.561
tors. eta vs tors. theta energy: -9.193
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: 6
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -67.394340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.394340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.394340 (E_RNA)
where:
Base-Base interactions energy: -30.664
where: short stacking energy: -30.664
Base-Backbone interact. energy: -0.000
local terms energy: -36.730347
where:
bonds (distance) C4'-P energy: -7.300
bonds (distance) P-C4' energy: -9.187
flat angles C4'-P-C4' energy: -5.177
flat angles P-C4'-P energy: -5.952
tors. eta vs tors. theta energy: -9.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -53.665159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.665159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.665159 (E_RNA)
where:
Base-Base interactions energy: -23.212
where: short stacking energy: -17.852
Base-Backbone interact. energy: -0.130
local terms energy: -30.323785
where:
bonds (distance) C4'-P energy: -9.146
bonds (distance) P-C4' energy: -6.117
flat angles C4'-P-C4' energy: -9.280
flat angles P-C4'-P energy: -5.518
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: 1, replica: 8
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -139.095304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.095304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.095304 (E_RNA)
where:
Base-Base interactions energy: -97.158
where: short stacking energy: -44.580
Base-Backbone interact. energy: -0.084
local terms energy: -41.852718
where:
bonds (distance) C4'-P energy: -9.585
bonds (distance) P-C4' energy: -6.410
flat angles C4'-P-C4' energy: -9.794
flat angles P-C4'-P energy: -4.972
tors. eta vs tors. theta energy: -11.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -138.265822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.265822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.265822 (E_RNA)
where:
Base-Base interactions energy: -94.398
where: short stacking energy: -43.626
Base-Backbone interact. energy: -1.658
local terms energy: -42.209152
where:
bonds (distance) C4'-P energy: -9.511
bonds (distance) P-C4' energy: -9.591
flat angles C4'-P-C4' energy: -8.899
flat angles P-C4'-P energy: -5.776
tors. eta vs tors. theta energy: -8.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -140.569713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.569713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.569713 (E_RNA)
where:
Base-Base interactions energy: -94.532
where: short stacking energy: -45.852
Base-Backbone interact. energy: -1.892
local terms energy: -44.146411
where:
bonds (distance) C4'-P energy: -9.378
bonds (distance) P-C4' energy: -8.069
flat angles C4'-P-C4' energy: -9.508
flat angles P-C4'-P energy: -6.959
tors. eta vs tors. theta energy: -10.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -136.697774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.697774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.697774 (E_RNA)
where:
Base-Base interactions energy: -92.538
where: short stacking energy: -43.010
Base-Backbone interact. energy: -0.003
local terms energy: -44.157519
where:
bonds (distance) C4'-P energy: -9.722
bonds (distance) P-C4' energy: -10.913
flat angles C4'-P-C4' energy: -7.874
flat angles P-C4'-P energy: -7.858
tors. eta vs tors. theta energy: -7.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -131.889371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.889371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.889371 (E_RNA)
where:
Base-Base interactions energy: -92.905
where: short stacking energy: -45.329
Base-Backbone interact. energy: -0.166
local terms energy: -38.818287
where:
bonds (distance) C4'-P energy: -9.059
bonds (distance) P-C4' energy: -7.911
flat angles C4'-P-C4' energy: -5.010
flat angles P-C4'-P energy: -5.702
tors. eta vs tors. theta energy: -11.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -133.643091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.643091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.643091 (E_RNA)
where:
Base-Base interactions energy: -89.465
where: short stacking energy: -42.150
Base-Backbone interact. energy: -1.268
local terms energy: -42.910357
where:
bonds (distance) C4'-P energy: -9.097
bonds (distance) P-C4' energy: -10.448
flat angles C4'-P-C4' energy: -6.378
flat angles P-C4'-P energy: -7.850
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: 7, replica: 7
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -134.536435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.536435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.536435 (E_RNA)
where:
Base-Base interactions energy: -91.470
where: short stacking energy: -43.505
Base-Backbone interact. energy: -1.299
local terms energy: -41.767955
where:
bonds (distance) C4'-P energy: -7.539
bonds (distance) P-C4' energy: -7.677
flat angles C4'-P-C4' energy: -9.581
flat angles P-C4'-P energy: -6.942
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: 8, replica: 5
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -121.626123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.626123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.626123 (E_RNA)
where:
Base-Base interactions energy: -82.776
where: short stacking energy: -34.584
Base-Backbone interact. energy: 1.334
local terms energy: -40.183414
where:
bonds (distance) C4'-P energy: -5.904
bonds (distance) P-C4' energy: -10.652
flat angles C4'-P-C4' energy: -7.219
flat angles P-C4'-P energy: -7.829
tors. eta vs tors. theta energy: -8.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -56.127691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.127691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.127691 (E_RNA)
where:
Base-Base interactions energy: -20.967
where: short stacking energy: -18.438
Base-Backbone interact. energy: -0.002
local terms energy: -35.157865
where:
bonds (distance) C4'-P energy: -9.382
bonds (distance) P-C4' energy: -8.838
flat angles C4'-P-C4' energy: -8.616
flat angles P-C4'-P energy: -2.735
tors. eta vs tors. theta energy: -5.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -61.622395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.622395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.622395 (E_RNA)
where:
Base-Base interactions energy: -33.644
where: short stacking energy: -33.644
Base-Backbone interact. energy: 0.869
local terms energy: -28.847638
where:
bonds (distance) C4'-P energy: -4.424
bonds (distance) P-C4' energy: -7.291
flat angles C4'-P-C4' energy: -4.061
flat angles P-C4'-P energy: -6.473
tors. eta vs tors. theta energy: -6.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -143.649210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.649210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.649210 (E_RNA)
where:
Base-Base interactions energy: -98.698
where: short stacking energy: -38.709
Base-Backbone interact. energy: -0.395
local terms energy: -44.556639
where:
bonds (distance) C4'-P energy: -9.494
bonds (distance) P-C4' energy: -9.576
flat angles C4'-P-C4' energy: -8.337
flat angles P-C4'-P energy: -5.452
tors. eta vs tors. theta energy: -11.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -135.375971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.375971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.375971 (E_RNA)
where:
Base-Base interactions energy: -99.771
where: short stacking energy: -35.257
Base-Backbone interact. energy: -0.586
local terms energy: -35.018496
where:
bonds (distance) C4'-P energy: -7.126
bonds (distance) P-C4' energy: -7.481
flat angles C4'-P-C4' energy: -10.427
flat angles P-C4'-P energy: -1.752
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: 3, replica: 9
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -139.617887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.617887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.617887 (E_RNA)
where:
Base-Base interactions energy: -99.146
where: short stacking energy: -45.890
Base-Backbone interact. energy: -0.582
local terms energy: -39.889994
where:
bonds (distance) C4'-P energy: -8.105
bonds (distance) P-C4' energy: -7.901
flat angles C4'-P-C4' energy: -8.705
flat angles P-C4'-P energy: -7.478
tors. eta vs tors. theta energy: -7.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -142.212059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.212059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.212059 (E_RNA)
where:
Base-Base interactions energy: -94.788
where: short stacking energy: -44.462
Base-Backbone interact. energy: -0.425
local terms energy: -46.998793
where:
bonds (distance) C4'-P energy: -8.422
bonds (distance) P-C4' energy: -10.183
flat angles C4'-P-C4' energy: -10.295
flat angles P-C4'-P energy: -7.202
tors. eta vs tors. theta energy: -10.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -128.865386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.865386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.865386 (E_RNA)
where:
Base-Base interactions energy: -88.590
where: short stacking energy: -38.261
Base-Backbone interact. energy: 0.153
local terms energy: -40.428919
where:
bonds (distance) C4'-P energy: -8.401
bonds (distance) P-C4' energy: -9.119
flat angles C4'-P-C4' energy: -9.647
flat angles P-C4'-P energy: -5.876
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: 6, replica: 10
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -115.307708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.307708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.307708 (E_RNA)
where:
Base-Base interactions energy: -79.120
where: short stacking energy: -34.440
Base-Backbone interact. energy: -0.426
local terms energy: -35.761994
where:
bonds (distance) C4'-P energy: -9.370
bonds (distance) P-C4' energy: -7.544
flat angles C4'-P-C4' energy: -9.764
flat angles P-C4'-P energy: -4.706
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: 7, replica: 5
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -122.761110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.761110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.761110 (E_RNA)
where:
Base-Base interactions energy: -84.955
where: short stacking energy: -36.073
Base-Backbone interact. energy: -0.001
local terms energy: -37.804939
where:
bonds (distance) C4'-P energy: -5.714
bonds (distance) P-C4' energy: -8.809
flat angles C4'-P-C4' energy: -8.868
flat angles P-C4'-P energy: -6.213
tors. eta vs tors. theta energy: -8.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -129.220572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.220572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.220572 (E_RNA)
where:
Base-Base interactions energy: -87.191
where: short stacking energy: -37.938
Base-Backbone interact. energy: -0.465
local terms energy: -41.564245
where:
bonds (distance) C4'-P energy: -9.883
bonds (distance) P-C4' energy: -7.910
flat angles C4'-P-C4' energy: -7.223
flat angles P-C4'-P energy: -7.331
tors. eta vs tors. theta energy: -9.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -71.386565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.386565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.386565 (E_RNA)
where:
Base-Base interactions energy: -39.725
where: short stacking energy: -22.391
Base-Backbone interact. energy: -0.030
local terms energy: -31.631044
where:
bonds (distance) C4'-P energy: -6.704
bonds (distance) P-C4' energy: -9.827
flat angles C4'-P-C4' energy: -7.940
flat angles P-C4'-P energy: -5.229
tors. eta vs tors. theta energy: -1.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -58.814232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.814232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.814232 (E_RNA)
where:
Base-Base interactions energy: -27.531
where: short stacking energy: -27.531
Base-Backbone interact. energy: -0.112
local terms energy: -31.171121
where:
bonds (distance) C4'-P energy: -9.299
bonds (distance) P-C4' energy: -7.020
flat angles C4'-P-C4' energy: -6.302
flat angles P-C4'-P energy: -4.954
tors. eta vs tors. theta energy: -3.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -140.874680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.874680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.874680 (E_RNA)
where:
Base-Base interactions energy: -95.629
where: short stacking energy: -41.104
Base-Backbone interact. energy: -0.278
local terms energy: -44.967914
where:
bonds (distance) C4'-P energy: -6.527
bonds (distance) P-C4' energy: -11.078
flat angles C4'-P-C4' energy: -9.688
flat angles P-C4'-P energy: -7.529
tors. eta vs tors. theta energy: -10.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -141.798601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.798601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.798601 (E_RNA)
where:
Base-Base interactions energy: -98.073
where: short stacking energy: -45.538
Base-Backbone interact. energy: -1.099
local terms energy: -42.626509
where:
bonds (distance) C4'-P energy: -9.457
bonds (distance) P-C4' energy: -6.607
flat angles C4'-P-C4' energy: -10.668
flat angles P-C4'-P energy: -7.224
tors. eta vs tors. theta energy: -8.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -130.133325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.133325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.133325 (E_RNA)
where:
Base-Base interactions energy: -88.827
where: short stacking energy: -37.094
Base-Backbone interact. energy: -0.100
local terms energy: -41.206180
where:
bonds (distance) C4'-P energy: -9.867
bonds (distance) P-C4' energy: -9.831
flat angles C4'-P-C4' energy: -9.260
flat angles P-C4'-P energy: -5.697
tors. eta vs tors. theta energy: -6.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -138.983203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.983203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.983203 (E_RNA)
where:
Base-Base interactions energy: -99.272
where: short stacking energy: -38.304
Base-Backbone interact. energy: -0.011
local terms energy: -39.700598
where:
bonds (distance) C4'-P energy: -8.268
bonds (distance) P-C4' energy: -8.791
flat angles C4'-P-C4' energy: -9.112
flat angles P-C4'-P energy: -3.699
tors. eta vs tors. theta energy: -9.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -131.739717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.739717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.739717 (E_RNA)
where:
Base-Base interactions energy: -89.405
where: short stacking energy: -42.742
Base-Backbone interact. energy: -0.208
local terms energy: -42.127618
where:
bonds (distance) C4'-P energy: -7.895
bonds (distance) P-C4' energy: -9.757
flat angles C4'-P-C4' energy: -9.363
flat angles P-C4'-P energy: -5.977
tors. eta vs tors. theta energy: -9.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -139.403892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.403892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.403892 (E_RNA)
where:
Base-Base interactions energy: -101.808
where: short stacking energy: -39.278
Base-Backbone interact. energy: -0.005
local terms energy: -37.590442
where:
bonds (distance) C4'-P energy: -9.859
bonds (distance) P-C4' energy: -7.928
flat angles C4'-P-C4' energy: -8.780
flat angles P-C4'-P energy: -0.429
tors. eta vs tors. theta energy: -10.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -129.153530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.153530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.153530 (E_RNA)
where:
Base-Base interactions energy: -90.456
where: short stacking energy: -35.688
Base-Backbone interact. energy: -0.046
local terms energy: -38.651204
where:
bonds (distance) C4'-P energy: -6.336
bonds (distance) P-C4' energy: -9.997
flat angles C4'-P-C4' energy: -9.404
flat angles P-C4'-P energy: -3.051
tors. eta vs tors. theta energy: -9.864
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: 7
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -125.123685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.123685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.123685 (E_RNA)
where:
Base-Base interactions energy: -87.830
where: short stacking energy: -38.425
Base-Backbone interact. energy: 0.409
local terms energy: -37.702699
where:
bonds (distance) C4'-P energy: -3.503
bonds (distance) P-C4' energy: -9.379
flat angles C4'-P-C4' energy: -8.150
flat angles P-C4'-P energy: -8.184
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: 9, replica: 3
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -63.263906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.263906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.263906 (E_RNA)
where:
Base-Base interactions energy: -26.579
where: short stacking energy: -19.494
Base-Backbone interact. energy: -0.013
local terms energy: -36.672070
where:
bonds (distance) C4'-P energy: -9.324
bonds (distance) P-C4' energy: -10.039
flat angles C4'-P-C4' energy: -7.360
flat angles P-C4'-P energy: -6.089
tors. eta vs tors. theta energy: -3.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -61.061834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.061834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.061834 (E_RNA)
where:
Base-Base interactions energy: -31.007
where: short stacking energy: -23.430
Base-Backbone interact. energy: -0.001
local terms energy: -30.054325
where:
bonds (distance) C4'-P energy: -5.561
bonds (distance) P-C4' energy: -10.659
flat angles C4'-P-C4' energy: -7.670
flat angles P-C4'-P energy: -2.678
tors. eta vs tors. theta energy: -3.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -142.867230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.867230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.867230 (E_RNA)
where:
Base-Base interactions energy: -99.112
where: short stacking energy: -46.311
Base-Backbone interact. energy: -1.416
local terms energy: -42.339495
where:
bonds (distance) C4'-P energy: -7.254
bonds (distance) P-C4' energy: -6.739
flat angles C4'-P-C4' energy: -9.882
flat angles P-C4'-P energy: -8.578
tors. eta vs tors. theta energy: -9.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -140.860181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.860181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.860181 (E_RNA)
where:
Base-Base interactions energy: -97.864
where: short stacking energy: -46.177
Base-Backbone interact. energy: -1.062
local terms energy: -41.934091
where:
bonds (distance) C4'-P energy: -8.676
bonds (distance) P-C4' energy: -11.103
flat angles C4'-P-C4' energy: -8.467
flat angles P-C4'-P energy: -3.992
tors. eta vs tors. theta energy: -9.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -137.653222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.653222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.653222 (E_RNA)
where:
Base-Base interactions energy: -95.338
where: short stacking energy: -45.219
Base-Backbone interact. energy: -0.316
local terms energy: -41.999526
where:
bonds (distance) C4'-P energy: -8.119
bonds (distance) P-C4' energy: -10.143
flat angles C4'-P-C4' energy: -8.882
flat angles P-C4'-P energy: -4.586
tors. eta vs tors. theta energy: -10.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -135.742190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.742190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.742190 (E_RNA)
where:
Base-Base interactions energy: -94.955
where: short stacking energy: -44.039
Base-Backbone interact. energy: -0.717
local terms energy: -40.070408
where:
bonds (distance) C4'-P energy: -10.214
bonds (distance) P-C4' energy: -6.908
flat angles C4'-P-C4' energy: -7.055
flat angles P-C4'-P energy: -5.650
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: 5, replica: 5
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -131.987922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.987922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.987922 (E_RNA)
where:
Base-Base interactions energy: -91.857
where: short stacking energy: -42.645
Base-Backbone interact. energy: -0.079
local terms energy: -40.052177
where:
bonds (distance) C4'-P energy: -8.000
bonds (distance) P-C4' energy: -10.674
flat angles C4'-P-C4' energy: -9.329
flat angles P-C4'-P energy: -5.017
tors. eta vs tors. theta energy: -7.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -136.317247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.317247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.317247 (E_RNA)
where:
Base-Base interactions energy: -94.845
where: short stacking energy: -42.408
Base-Backbone interact. energy: -0.180
local terms energy: -41.293019
where:
bonds (distance) C4'-P energy: -7.781
bonds (distance) P-C4' energy: -8.558
flat angles C4'-P-C4' energy: -10.144
flat angles P-C4'-P energy: -4.477
tors. eta vs tors. theta energy: -10.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -133.276440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.276440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.276440 (E_RNA)
where:
Base-Base interactions energy: -92.079
where: short stacking energy: -39.418
Base-Backbone interact. energy: 0.227
local terms energy: -41.423959
where:
bonds (distance) C4'-P energy: -6.895
bonds (distance) P-C4' energy: -9.270
flat angles C4'-P-C4' energy: -8.142
flat angles P-C4'-P energy: -6.373
tors. eta vs tors. theta energy: -10.745
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: 168
Temperature: 1.250000
Total energy: -123.715649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.715649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.715649 (E_RNA)
where:
Base-Base interactions energy: -88.448
where: short stacking energy: -36.281
Base-Backbone interact. energy: -0.545
local terms energy: -34.723520
where:
bonds (distance) C4'-P energy: -5.197
bonds (distance) P-C4' energy: -8.495
flat angles C4'-P-C4' energy: -5.727
flat angles P-C4'-P energy: -6.934
tors. eta vs tors. theta energy: -8.369
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: 6
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -69.995109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.995109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.995109 (E_RNA)
where:
Base-Base interactions energy: -40.739
where: short stacking energy: -17.367
Base-Backbone interact. energy: -0.124
local terms energy: -29.132044
where:
bonds (distance) C4'-P energy: -9.593
bonds (distance) P-C4' energy: -5.429
flat angles C4'-P-C4' energy: -8.034
flat angles P-C4'-P energy: -3.963
tors. eta vs tors. theta energy: -2.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -60.512124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.512124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.512124 (E_RNA)
where:
Base-Base interactions energy: -40.591
where: short stacking energy: -16.707
Base-Backbone interact. energy: -0.198
local terms energy: -19.722685
where:
bonds (distance) C4'-P energy: -6.322
bonds (distance) P-C4' energy: -5.458
flat angles C4'-P-C4' energy: -5.332
flat angles P-C4'-P energy: -1.831
tors. eta vs tors. theta energy: -0.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -142.102510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.102510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.102510 (E_RNA)
where:
Base-Base interactions energy: -95.850
where: short stacking energy: -46.057
Base-Backbone interact. energy: -0.032
local terms energy: -46.219661
where:
bonds (distance) C4'-P energy: -8.782
bonds (distance) P-C4' energy: -9.036
flat angles C4'-P-C4' energy: -10.616
flat angles P-C4'-P energy: -7.598
tors. eta vs tors. theta energy: -10.187
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: 1
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -139.935057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.935057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.935057 (E_RNA)
where:
Base-Base interactions energy: -91.920
where: short stacking energy: -44.054
Base-Backbone interact. energy: -1.858
local terms energy: -46.157664
where:
bonds (distance) C4'-P energy: -9.474
bonds (distance) P-C4' energy: -9.074
flat angles C4'-P-C4' energy: -8.756
flat angles P-C4'-P energy: -8.019
tors. eta vs tors. theta energy: -10.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -139.571569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.571569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.571569 (E_RNA)
where:
Base-Base interactions energy: -91.119
where: short stacking energy: -43.101
Base-Backbone interact. energy: -1.040
local terms energy: -47.413093
where:
bonds (distance) C4'-P energy: -9.565
bonds (distance) P-C4' energy: -10.376
flat angles C4'-P-C4' energy: -9.788
flat angles P-C4'-P energy: -6.880
tors. eta vs tors. theta energy: -10.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -135.308358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.308358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.308358 (E_RNA)
where:
Base-Base interactions energy: -89.219
where: short stacking energy: -36.141
Base-Backbone interact. energy: -0.446
local terms energy: -45.642848
where:
bonds (distance) C4'-P energy: -8.910
bonds (distance) P-C4' energy: -10.168
flat angles C4'-P-C4' energy: -9.225
flat angles P-C4'-P energy: -7.774
tors. eta vs tors. theta energy: -9.566
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: 5, replica: 8
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -134.351688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.351688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.351688 (E_RNA)
where:
Base-Base interactions energy: -95.990
where: short stacking energy: -34.844
Base-Backbone interact. energy: -0.031
local terms energy: -38.331265
where:
bonds (distance) C4'-P energy: -7.942
bonds (distance) P-C4' energy: -10.165
flat angles C4'-P-C4' energy: -9.211
flat angles P-C4'-P energy: -2.493
tors. eta vs tors. theta energy: -8.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -135.105010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.105010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.105010 (E_RNA)
where:
Base-Base interactions energy: -95.135
where: short stacking energy: -40.225
Base-Backbone interact. energy: -0.007
local terms energy: -39.962594
where:
bonds (distance) C4'-P energy: -7.937
bonds (distance) P-C4' energy: -10.215
flat angles C4'-P-C4' energy: -7.404
flat angles P-C4'-P energy: -5.517
tors. eta vs tors. theta energy: -8.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -127.292310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.292310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.292310 (E_RNA)
where:
Base-Base interactions energy: -86.125
where: short stacking energy: -35.184
Base-Backbone interact. energy: 0.126
local terms energy: -41.293088
where:
bonds (distance) C4'-P energy: -6.463
bonds (distance) P-C4' energy: -9.950
flat angles C4'-P-C4' energy: -8.807
flat angles P-C4'-P energy: -6.769
tors. eta vs tors. theta energy: -9.303
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: 10
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -130.784628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.784628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.784628 (E_RNA)
where:
Base-Base interactions energy: -91.622
where: short stacking energy: -40.339
Base-Backbone interact. energy: -0.757
local terms energy: -38.406356
where:
bonds (distance) C4'-P energy: -9.014
bonds (distance) P-C4' energy: -4.874
flat angles C4'-P-C4' energy: -9.664
flat angles P-C4'-P energy: -5.927
tors. eta vs tors. theta energy: -8.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -61.188659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.188659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.188659 (E_RNA)
where:
Base-Base interactions energy: -27.321
where: short stacking energy: -22.392
Base-Backbone interact. energy: -0.043
local terms energy: -33.824218
where:
bonds (distance) C4'-P energy: -8.339
bonds (distance) P-C4' energy: -8.196
flat angles C4'-P-C4' energy: -8.756
flat angles P-C4'-P energy: -4.135
tors. eta vs tors. theta energy: -4.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -61.477961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.477961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.477961 (E_RNA)
where:
Base-Base interactions energy: -29.447
where: short stacking energy: -20.634
Base-Backbone interact. energy: -0.184
local terms energy: -31.846340
where:
bonds (distance) C4'-P energy: -7.647
bonds (distance) P-C4' energy: -10.186
flat angles C4'-P-C4' energy: -7.992
flat angles P-C4'-P energy: -4.581
tors. eta vs tors. theta energy: -1.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -151.346370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.346370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.346370 (E_RNA)
where:
Base-Base interactions energy: -105.010
where: short stacking energy: -46.536
Base-Backbone interact. energy: -0.052
local terms energy: -46.284236
where:
bonds (distance) C4'-P energy: -9.875
bonds (distance) P-C4' energy: -9.672
flat angles C4'-P-C4' energy: -9.864
flat angles P-C4'-P energy: -6.284
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: 2, replica: 1
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -136.466532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.466532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.466532 (E_RNA)
where:
Base-Base interactions energy: -92.426
where: short stacking energy: -40.477
Base-Backbone interact. energy: -0.013
local terms energy: -44.027455
where:
bonds (distance) C4'-P energy: -7.354
bonds (distance) P-C4' energy: -11.128
flat angles C4'-P-C4' energy: -8.175
flat angles P-C4'-P energy: -7.840
tors. eta vs tors. theta energy: -9.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -141.230301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.230301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.230301 (E_RNA)
where:
Base-Base interactions energy: -95.687
where: short stacking energy: -46.463
Base-Backbone interact. energy: -0.834
local terms energy: -44.710184
where:
bonds (distance) C4'-P energy: -8.965
bonds (distance) P-C4' energy: -10.898
flat angles C4'-P-C4' energy: -8.906
flat angles P-C4'-P energy: -8.285
tors. eta vs tors. theta energy: -7.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -132.138935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.138935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.138935 (E_RNA)
where:
Base-Base interactions energy: -89.058
where: short stacking energy: -39.096
Base-Backbone interact. energy: -1.147
local terms energy: -41.933768
where:
bonds (distance) C4'-P energy: -6.874
bonds (distance) P-C4' energy: -9.367
flat angles C4'-P-C4' energy: -9.876
flat angles P-C4'-P energy: -5.355
tors. eta vs tors. theta energy: -10.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -134.250630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.250630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.250630 (E_RNA)
where:
Base-Base interactions energy: -91.746
where: short stacking energy: -38.854
Base-Backbone interact. energy: -0.025
local terms energy: -42.479313
where:
bonds (distance) C4'-P energy: -9.991
bonds (distance) P-C4' energy: -10.066
flat angles C4'-P-C4' energy: -8.294
flat angles P-C4'-P energy: -2.438
tors. eta vs tors. theta energy: -11.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -134.407807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.407807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.407807 (E_RNA)
where:
Base-Base interactions energy: -92.362
where: short stacking energy: -42.472
Base-Backbone interact. energy: -1.110
local terms energy: -40.935942
where:
bonds (distance) C4'-P energy: -6.919
bonds (distance) P-C4' energy: -6.962
flat angles C4'-P-C4' energy: -9.827
flat angles P-C4'-P energy: -7.340
tors. eta vs tors. theta energy: -9.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -132.226896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.226896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.226896 (E_RNA)
where:
Base-Base interactions energy: -93.298
where: short stacking energy: -35.817
Base-Backbone interact. energy: -0.041
local terms energy: -38.888092
where:
bonds (distance) C4'-P energy: -9.084
bonds (distance) P-C4' energy: -9.591
flat angles C4'-P-C4' energy: -8.273
flat angles P-C4'-P energy: -3.260
tors. eta vs tors. theta energy: -8.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -128.594847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.594847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.594847 (E_RNA)
where:
Base-Base interactions energy: -87.393
where: short stacking energy: -41.971
Base-Backbone interact. energy: -0.367
local terms energy: -40.834697
where:
bonds (distance) C4'-P energy: -8.269
bonds (distance) P-C4' energy: -9.708
flat angles C4'-P-C4' energy: -9.167
flat angles P-C4'-P energy: -4.099
tors. eta vs tors. theta energy: -9.592
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: 9, replica: 3
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -53.302440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.302440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.302440 (E_RNA)
where:
Base-Base interactions energy: -23.348
where: short stacking energy: -22.531
Base-Backbone interact. energy: -0.863
local terms energy: -29.092097
where:
bonds (distance) C4'-P energy: -9.618
bonds (distance) P-C4' energy: -11.374
flat angles C4'-P-C4' energy: -5.962
flat angles P-C4'-P energy: -4.599
tors. eta vs tors. theta energy: 2.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -72.927124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.927124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.927124 (E_RNA)
where:
Base-Base interactions energy: -42.329
where: short stacking energy: -23.902
Base-Backbone interact. energy: -0.014
local terms energy: -30.584580
where:
bonds (distance) C4'-P energy: -6.819
bonds (distance) P-C4' energy: -5.926
flat angles C4'-P-C4' energy: -7.192
flat angles P-C4'-P energy: -8.247
tors. eta vs tors. theta energy: -2.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -140.338824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.338824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.338824 (E_RNA)
where:
Base-Base interactions energy: -95.641
where: short stacking energy: -45.096
Base-Backbone interact. energy: -0.002
local terms energy: -44.695333
where:
bonds (distance) C4'-P energy: -9.387
bonds (distance) P-C4' energy: -9.622
flat angles C4'-P-C4' energy: -8.640
flat angles P-C4'-P energy: -7.554
tors. eta vs tors. theta energy: -9.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -134.652536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.652536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.652536 (E_RNA)
where:
Base-Base interactions energy: -90.894
where: short stacking energy: -43.198
Base-Backbone interact. energy: -1.083
local terms energy: -42.675426
where:
bonds (distance) C4'-P energy: -8.359
bonds (distance) P-C4' energy: -9.287
flat angles C4'-P-C4' energy: -7.276
flat angles P-C4'-P energy: -8.853
tors. eta vs tors. theta energy: -8.900
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: 1
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -138.703041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.703041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.703041 (E_RNA)
where:
Base-Base interactions energy: -96.129
where: short stacking energy: -44.407
Base-Backbone interact. energy: -1.336
local terms energy: -41.238286
where:
bonds (distance) C4'-P energy: -8.662
bonds (distance) P-C4' energy: -9.101
flat angles C4'-P-C4' energy: -9.811
flat angles P-C4'-P energy: -6.266
tors. eta vs tors. theta energy: -7.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -134.468228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.468228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.468228 (E_RNA)
where:
Base-Base interactions energy: -96.549
where: short stacking energy: -43.635
Base-Backbone interact. energy: -0.004
local terms energy: -37.915697
where:
bonds (distance) C4'-P energy: -8.919
bonds (distance) P-C4' energy: -9.993
flat angles C4'-P-C4' energy: -6.965
flat angles P-C4'-P energy: -3.989
tors. eta vs tors. theta energy: -8.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -134.300392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.300392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.300392 (E_RNA)
where:
Base-Base interactions energy: -90.479
where: short stacking energy: -40.219
Base-Backbone interact. energy: -1.547
local terms energy: -42.274773
where:
bonds (distance) C4'-P energy: -10.972
bonds (distance) P-C4' energy: -7.513
flat angles C4'-P-C4' energy: -8.859
flat angles P-C4'-P energy: -6.986
tors. eta vs tors. theta energy: -7.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -129.482780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.482780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.482780 (E_RNA)
where:
Base-Base interactions energy: -88.616
where: short stacking energy: -36.338
Base-Backbone interact. energy: -1.660
local terms energy: -39.206646
where:
bonds (distance) C4'-P energy: -9.122
bonds (distance) P-C4' energy: -5.678
flat angles C4'-P-C4' energy: -8.203
flat angles P-C4'-P energy: -8.453
tors. eta vs tors. theta energy: -7.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -125.948968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.948968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.948968 (E_RNA)
where:
Base-Base interactions energy: -85.212
where: short stacking energy: -37.610
Base-Backbone interact. energy: -0.017
local terms energy: -40.719823
where:
bonds (distance) C4'-P energy: -7.486
bonds (distance) P-C4' energy: -11.597
flat angles C4'-P-C4' energy: -6.308
flat angles P-C4'-P energy: -3.146
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: 8, replica: 4
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -121.896435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.896435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.896435 (E_RNA)
where:
Base-Base interactions energy: -81.925
where: short stacking energy: -39.029
Base-Backbone interact. energy: -0.002
local terms energy: -39.969467
where:
bonds (distance) C4'-P energy: -8.516
bonds (distance) P-C4' energy: -7.675
flat angles C4'-P-C4' energy: -8.905
flat angles P-C4'-P energy: -7.134
tors. eta vs tors. theta energy: -7.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -57.371549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.371549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.371549 (E_RNA)
where:
Base-Base interactions energy: -24.423
where: short stacking energy: -24.423
Base-Backbone interact. energy: 0.494
local terms energy: -33.442119
where:
bonds (distance) C4'-P energy: -9.601
bonds (distance) P-C4' energy: -8.668
flat angles C4'-P-C4' energy: -6.217
flat angles P-C4'-P energy: -2.272
tors. eta vs tors. theta energy: -6.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -69.640249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.640249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.640249 (E_RNA)
where:
Base-Base interactions energy: -38.795
where: short stacking energy: -13.782
Base-Backbone interact. energy: -0.039
local terms energy: -30.806720
where:
bonds (distance) C4'-P energy: -8.782
bonds (distance) P-C4' energy: -6.382
flat angles C4'-P-C4' energy: -7.794
flat angles P-C4'-P energy: -7.663
tors. eta vs tors. theta energy: -0.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -144.472265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.472265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.472265 (E_RNA)
where:
Base-Base interactions energy: -95.002
where: short stacking energy: -44.196
Base-Backbone interact. energy: -0.547
local terms energy: -48.923581
where:
bonds (distance) C4'-P energy: -8.487
bonds (distance) P-C4' energy: -9.910
flat angles C4'-P-C4' energy: -10.434
flat angles P-C4'-P energy: -8.888
tors. eta vs tors. theta energy: -11.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -136.832817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.832817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.832817 (E_RNA)
where:
Base-Base interactions energy: -96.707
where: short stacking energy: -42.738
Base-Backbone interact. energy: -0.644
local terms energy: -39.481317
where:
bonds (distance) C4'-P energy: -8.430
bonds (distance) P-C4' energy: -7.484
flat angles C4'-P-C4' energy: -9.788
flat angles P-C4'-P energy: -3.180
tors. eta vs tors. theta energy: -10.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -137.136567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.136567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.136567 (E_RNA)
where:
Base-Base interactions energy: -95.055
where: short stacking energy: -44.463
Base-Backbone interact. energy: -0.001
local terms energy: -42.081210
where:
bonds (distance) C4'-P energy: -8.338
bonds (distance) P-C4' energy: -9.411
flat angles C4'-P-C4' energy: -10.160
flat angles P-C4'-P energy: -6.166
tors. eta vs tors. theta energy: -8.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -133.604876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.604876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.604876 (E_RNA)
where:
Base-Base interactions energy: -94.075
where: short stacking energy: -46.458
Base-Backbone interact. energy: -0.765
local terms energy: -38.765022
where:
bonds (distance) C4'-P energy: -9.709
bonds (distance) P-C4' energy: -7.770
flat angles C4'-P-C4' energy: -7.873
flat angles P-C4'-P energy: -3.338
tors. eta vs tors. theta energy: -10.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -138.530709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.530709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.530709 (E_RNA)
where:
Base-Base interactions energy: -93.968
where: short stacking energy: -38.884
Base-Backbone interact. energy: -0.368
local terms energy: -44.194364
where:
bonds (distance) C4'-P energy: -10.400
bonds (distance) P-C4' energy: -8.269
flat angles C4'-P-C4' energy: -9.246
flat angles P-C4'-P energy: -5.858
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: 6, replica: 2
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -134.461083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.461083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.461083 (E_RNA)
where:
Base-Base interactions energy: -93.792
where: short stacking energy: -44.648
Base-Backbone interact. energy: 0.144
local terms energy: -40.813654
where:
bonds (distance) C4'-P energy: -7.432
bonds (distance) P-C4' energy: -8.439
flat angles C4'-P-C4' energy: -9.895
flat angles P-C4'-P energy: -6.064
tors. eta vs tors. theta energy: -8.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -129.946019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.946019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.946019 (E_RNA)
where:
Base-Base interactions energy: -86.354
where: short stacking energy: -41.554
Base-Backbone interact. energy: -0.004
local terms energy: -43.588383
where:
bonds (distance) C4'-P energy: -8.596
bonds (distance) P-C4' energy: -7.752
flat angles C4'-P-C4' energy: -9.981
flat angles P-C4'-P energy: -6.518
tors. eta vs tors. theta energy: -10.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -116.729888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.729888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.729888 (E_RNA)
where:
Base-Base interactions energy: -79.706
where: short stacking energy: -32.649
Base-Backbone interact. energy: -0.410
local terms energy: -36.613890
where:
bonds (distance) C4'-P energy: -5.801
bonds (distance) P-C4' energy: -10.000
flat angles C4'-P-C4' energy: -9.326
flat angles P-C4'-P energy: -5.231
tors. eta vs tors. theta energy: -6.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -63.984070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.984070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.984070 (E_RNA)
where:
Base-Base interactions energy: -34.672
where: short stacking energy: -26.928
Base-Backbone interact. energy: -0.003
local terms energy: -29.309034
where:
bonds (distance) C4'-P energy: -6.642
bonds (distance) P-C4' energy: -9.703
flat angles C4'-P-C4' energy: -6.564
flat angles P-C4'-P energy: -4.380
tors. eta vs tors. theta energy: -2.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -58.838604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.838604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.838604 (E_RNA)
where:
Base-Base interactions energy: -28.699
where: short stacking energy: -24.719
Base-Backbone interact. energy: -0.001
local terms energy: -30.138657
where:
bonds (distance) C4'-P energy: -5.578
bonds (distance) P-C4' energy: -7.358
flat angles C4'-P-C4' energy: -8.573
flat angles P-C4'-P energy: -1.971
tors. eta vs tors. theta energy: -6.660
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: 1, replica: 5
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -141.862018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.862018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.862018 (E_RNA)
where:
Base-Base interactions energy: -94.256
where: short stacking energy: -45.134
Base-Backbone interact. energy: -1.833
local terms energy: -45.772488
where:
bonds (distance) C4'-P energy: -10.847
bonds (distance) P-C4' energy: -8.647
flat angles C4'-P-C4' energy: -8.909
flat angles P-C4'-P energy: -6.919
tors. eta vs tors. theta energy: -10.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -136.324809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.324809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.324809 (E_RNA)
where:
Base-Base interactions energy: -94.077
where: short stacking energy: -44.035
Base-Backbone interact. energy: -0.055
local terms energy: -42.192451
where:
bonds (distance) C4'-P energy: -8.550
bonds (distance) P-C4' energy: -9.761
flat angles C4'-P-C4' energy: -10.566
flat angles P-C4'-P energy: -6.308
tors. eta vs tors. theta energy: -7.007
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: 3, replica: 9
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -138.321202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.321202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.321202 (E_RNA)
where:
Base-Base interactions energy: -93.201
where: short stacking energy: -40.866
Base-Backbone interact. energy: -1.427
local terms energy: -43.692540
where:
bonds (distance) C4'-P energy: -8.356
bonds (distance) P-C4' energy: -9.954
flat angles C4'-P-C4' energy: -9.215
flat angles P-C4'-P energy: -7.184
tors. eta vs tors. theta energy: -8.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -133.877950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.877950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.877950 (E_RNA)
where:
Base-Base interactions energy: -93.439
where: short stacking energy: -36.680
Base-Backbone interact. energy: -0.000
local terms energy: -40.439299
where:
bonds (distance) C4'-P energy: -9.878
bonds (distance) P-C4' energy: -9.117
flat angles C4'-P-C4' energy: -7.250
flat angles P-C4'-P energy: -4.333
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: 5, replica: 1
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -135.857878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.857878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.857878 (E_RNA)
where:
Base-Base interactions energy: -92.443
where: short stacking energy: -44.629
Base-Backbone interact. energy: -0.307
local terms energy: -43.107730
where:
bonds (distance) C4'-P energy: -8.418
bonds (distance) P-C4' energy: -9.296
flat angles C4'-P-C4' energy: -9.069
flat angles P-C4'-P energy: -7.473
tors. eta vs tors. theta energy: -8.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -127.513332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.513332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.513332 (E_RNA)
where:
Base-Base interactions energy: -90.593
where: short stacking energy: -40.120
Base-Backbone interact. energy: -1.959
local terms energy: -34.962076
where:
bonds (distance) C4'-P energy: -5.515
bonds (distance) P-C4' energy: -7.213
flat angles C4'-P-C4' energy: -6.648
flat angles P-C4'-P energy: -6.469
tors. eta vs tors. theta energy: -9.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -128.520560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.520560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.520560 (E_RNA)
where:
Base-Base interactions energy: -88.723
where: short stacking energy: -40.567
Base-Backbone interact. energy: -0.502
local terms energy: -39.295691
where:
bonds (distance) C4'-P energy: -8.030
bonds (distance) P-C4' energy: -9.699
flat angles C4'-P-C4' energy: -6.812
flat angles P-C4'-P energy: -7.438
tors. eta vs tors. theta energy: -7.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -122.632145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.632145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.632145 (E_RNA)
where:
Base-Base interactions energy: -79.504
where: short stacking energy: -33.056
Base-Backbone interact. energy: -0.291
local terms energy: -42.837138
where:
bonds (distance) C4'-P energy: -10.152
bonds (distance) P-C4' energy: -10.588
flat angles C4'-P-C4' energy: -6.498
flat angles P-C4'-P energy: -7.414
tors. eta vs tors. theta energy: -8.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -62.392141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.392141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.392141 (E_RNA)
where:
Base-Base interactions energy: -30.563
where: short stacking energy: -16.887
Base-Backbone interact. energy: -0.107
local terms energy: -31.722318
where:
bonds (distance) C4'-P energy: -9.528
bonds (distance) P-C4' energy: -10.429
flat angles C4'-P-C4' energy: -6.837
flat angles P-C4'-P energy: -6.362
tors. eta vs tors. theta energy: 1.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -62.871920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.871920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.871920 (E_RNA)
where:
Base-Base interactions energy: -29.823
where: short stacking energy: -29.823
Base-Backbone interact. energy: -0.158
local terms energy: -32.891068
where:
bonds (distance) C4'-P energy: -8.819
bonds (distance) P-C4' energy: -5.273
flat angles C4'-P-C4' energy: -8.713
flat angles P-C4'-P energy: -7.185
tors. eta vs tors. theta energy: -2.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -141.160455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.160455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.160455 (E_RNA)
where:
Base-Base interactions energy: -94.305
where: short stacking energy: -43.671
Base-Backbone interact. energy: -1.632
local terms energy: -45.223107
where:
bonds (distance) C4'-P energy: -9.325
bonds (distance) P-C4' energy: -9.662
flat angles C4'-P-C4' energy: -8.856
flat angles P-C4'-P energy: -6.902
tors. eta vs tors. theta energy: -10.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -130.777858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.777858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.777858 (E_RNA)
where:
Base-Base interactions energy: -93.357
where: short stacking energy: -42.926
Base-Backbone interact. energy: -0.006
local terms energy: -37.414769
where:
bonds (distance) C4'-P energy: -9.456
bonds (distance) P-C4' energy: -9.134
flat angles C4'-P-C4' energy: -9.659
flat angles P-C4'-P energy: -3.447
tors. eta vs tors. theta energy: -5.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -140.456905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.456905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.456905 (E_RNA)
where:
Base-Base interactions energy: -95.465
where: short stacking energy: -44.770
Base-Backbone interact. energy: -0.536
local terms energy: -44.456253
where:
bonds (distance) C4'-P energy: -8.625
bonds (distance) P-C4' energy: -10.408
flat angles C4'-P-C4' energy: -9.391
flat angles P-C4'-P energy: -6.469
tors. eta vs tors. theta energy: -9.564
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: 4, replica: 9
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -137.189838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.189838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.189838 (E_RNA)
where:
Base-Base interactions energy: -91.329
where: short stacking energy: -42.722
Base-Backbone interact. energy: -0.720
local terms energy: -45.141121
where:
bonds (distance) C4'-P energy: -8.674
bonds (distance) P-C4' energy: -10.895
flat angles C4'-P-C4' energy: -9.422
flat angles P-C4'-P energy: -6.658
tors. eta vs tors. theta energy: -9.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -129.426393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.426393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.426393 (E_RNA)
where:
Base-Base interactions energy: -89.770
where: short stacking energy: -42.566
Base-Backbone interact. energy: -1.199
local terms energy: -38.457683
where:
bonds (distance) C4'-P energy: -7.842
bonds (distance) P-C4' energy: -10.436
flat angles C4'-P-C4' energy: -2.983
flat angles P-C4'-P energy: -7.474
tors. eta vs tors. theta energy: -9.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -130.514184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.514184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.514184 (E_RNA)
where:
Base-Base interactions energy: -88.904
where: short stacking energy: -38.527
Base-Backbone interact. energy: -1.436
local terms energy: -40.174030
where:
bonds (distance) C4'-P energy: -9.875
bonds (distance) P-C4' energy: -10.845
flat angles C4'-P-C4' energy: -6.121
flat angles P-C4'-P energy: -4.699
tors. eta vs tors. theta energy: -8.634
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: 7, replica: 8
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -134.479476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.479476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.479476 (E_RNA)
where:
Base-Base interactions energy: -96.456
where: short stacking energy: -37.198
Base-Backbone interact. energy: -0.001
local terms energy: -38.023260
where:
bonds (distance) C4'-P energy: -9.555
bonds (distance) P-C4' energy: -7.811
flat angles C4'-P-C4' energy: -9.823
flat angles P-C4'-P energy: -0.594
tors. eta vs tors. theta energy: -10.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -121.009258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.009258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.009258 (E_RNA)
where:
Base-Base interactions energy: -78.858
where: short stacking energy: -33.734
Base-Backbone interact. energy: -0.118
local terms energy: -42.034074
where:
bonds (distance) C4'-P energy: -9.929
bonds (distance) P-C4' energy: -10.215
flat angles C4'-P-C4' energy: -7.815
flat angles P-C4'-P energy: -7.910
tors. eta vs tors. theta energy: -6.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -56.154632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.154632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.154632 (E_RNA)
where:
Base-Base interactions energy: -23.416
where: short stacking energy: -23.416
Base-Backbone interact. energy: -0.001
local terms energy: -32.737659
where:
bonds (distance) C4'-P energy: -9.511
bonds (distance) P-C4' energy: -6.312
flat angles C4'-P-C4' energy: -7.965
flat angles P-C4'-P energy: -2.758
tors. eta vs tors. theta energy: -6.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -58.536061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.536061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.536061 (E_RNA)
where:
Base-Base interactions energy: -26.421
where: short stacking energy: -22.329
Base-Backbone interact. energy: -0.462
local terms energy: -31.652196
where:
bonds (distance) C4'-P energy: -9.474
bonds (distance) P-C4' energy: -5.023
flat angles C4'-P-C4' energy: -4.988
flat angles P-C4'-P energy: -7.410
tors. eta vs tors. theta energy: -4.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -145.205164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.205164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.205164 (E_RNA)
where:
Base-Base interactions energy: -95.902
where: short stacking energy: -45.930
Base-Backbone interact. energy: -1.501
local terms energy: -47.801691
where:
bonds (distance) C4'-P energy: -9.991
bonds (distance) P-C4' energy: -10.331
flat angles C4'-P-C4' energy: -9.274
flat angles P-C4'-P energy: -7.176
tors. eta vs tors. theta energy: -11.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -143.015088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.015088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.015088 (E_RNA)
where:
Base-Base interactions energy: -93.659
where: short stacking energy: -44.137
Base-Backbone interact. energy: -1.725
local terms energy: -47.630941
where:
bonds (distance) C4'-P energy: -9.333
bonds (distance) P-C4' energy: -11.128
flat angles C4'-P-C4' energy: -11.147
flat angles P-C4'-P energy: -6.732
tors. eta vs tors. theta energy: -9.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -132.978065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.978065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.978065 (E_RNA)
where:
Base-Base interactions energy: -94.846
where: short stacking energy: -39.857
Base-Backbone interact. energy: -0.025
local terms energy: -38.106467
where:
bonds (distance) C4'-P energy: -9.895
bonds (distance) P-C4' energy: -8.277
flat angles C4'-P-C4' energy: -8.166
flat angles P-C4'-P energy: -6.180
tors. eta vs tors. theta energy: -5.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -131.781101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.781101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.781101 (E_RNA)
where:
Base-Base interactions energy: -93.044
where: short stacking energy: -44.340
Base-Backbone interact. energy: -0.260
local terms energy: -38.477064
where:
bonds (distance) C4'-P energy: -8.107
bonds (distance) P-C4' energy: -7.815
flat angles C4'-P-C4' energy: -9.947
flat angles P-C4'-P energy: -4.606
tors. eta vs tors. theta energy: -8.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -124.883902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.883902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.883902 (E_RNA)
where:
Base-Base interactions energy: -82.868
where: short stacking energy: -35.620
Base-Backbone interact. energy: -0.013
local terms energy: -42.002801
where:
bonds (distance) C4'-P energy: -9.681
bonds (distance) P-C4' energy: -10.426
flat angles C4'-P-C4' energy: -7.469
flat angles P-C4'-P energy: -6.174
tors. eta vs tors. theta energy: -8.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -131.325239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.325239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.325239 (E_RNA)
where:
Base-Base interactions energy: -92.439
where: short stacking energy: -42.242
Base-Backbone interact. energy: -0.280
local terms energy: -38.605575
where:
bonds (distance) C4'-P energy: -9.138
bonds (distance) P-C4' energy: -9.724
flat angles C4'-P-C4' energy: -6.553
flat angles P-C4'-P energy: -5.075
tors. eta vs tors. theta energy: -8.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -127.757273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.757273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.757273 (E_RNA)
where:
Base-Base interactions energy: -86.667
where: short stacking energy: -40.280
Base-Backbone interact. energy: -0.754
local terms energy: -40.336602
where:
bonds (distance) C4'-P energy: -6.447
bonds (distance) P-C4' energy: -9.355
flat angles C4'-P-C4' energy: -9.115
flat angles P-C4'-P energy: -6.345
tors. eta vs tors. theta energy: -9.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -117.477781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.477781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.477781 (E_RNA)
where:
Base-Base interactions energy: -83.707
where: short stacking energy: -36.279
Base-Backbone interact. energy: -0.008
local terms energy: -33.763725
where:
bonds (distance) C4'-P energy: -7.320
bonds (distance) P-C4' energy: -9.140
flat angles C4'-P-C4' energy: -6.865
flat angles P-C4'-P energy: -5.379
tors. eta vs tors. theta energy: -5.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -67.958036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.958036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.958036 (E_RNA)
where:
Base-Base interactions energy: -35.220
where: short stacking energy: -23.089
Base-Backbone interact. energy: -0.099
local terms energy: -32.639025
where:
bonds (distance) C4'-P energy: -9.510
bonds (distance) P-C4' energy: -8.389
flat angles C4'-P-C4' energy: -6.638
flat angles P-C4'-P energy: -3.634
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: 10, replica: 6
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -58.856939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.856939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.856939 (E_RNA)
where:
Base-Base interactions energy: -29.548
where: short stacking energy: -29.548
Base-Backbone interact. energy: -0.496
local terms energy: -28.812775
where:
bonds (distance) C4'-P energy: -4.427
bonds (distance) P-C4' energy: -5.760
flat angles C4'-P-C4' energy: -9.473
flat angles P-C4'-P energy: -5.632
tors. eta vs tors. theta energy: -3.522
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: 1, replica: 5
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -139.590391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.590391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.590391 (E_RNA)
where:
Base-Base interactions energy: -97.033
where: short stacking energy: -46.705
Base-Backbone interact. energy: -0.817
local terms energy: -41.740726
where:
bonds (distance) C4'-P energy: -9.387
bonds (distance) P-C4' energy: -7.830
flat angles C4'-P-C4' energy: -9.471
flat angles P-C4'-P energy: -5.600
tors. eta vs tors. theta energy: -9.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -137.989166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.989166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.989166 (E_RNA)
where:
Base-Base interactions energy: -94.771
where: short stacking energy: -44.061
Base-Backbone interact. energy: -0.354
local terms energy: -42.863611
where:
bonds (distance) C4'-P energy: -9.647
bonds (distance) P-C4' energy: -10.429
flat angles C4'-P-C4' energy: -10.614
flat angles P-C4'-P energy: -0.894
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: 3, replica: 7
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -133.591736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.591736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.591736 (E_RNA)
where:
Base-Base interactions energy: -98.144
where: short stacking energy: -40.899
Base-Backbone interact. energy: -0.063
local terms energy: -35.384040
where:
bonds (distance) C4'-P energy: -9.859
bonds (distance) P-C4' energy: -8.981
flat angles C4'-P-C4' energy: -5.502
flat angles P-C4'-P energy: -4.416
tors. eta vs tors. theta energy: -6.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -136.583549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.583549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.583549 (E_RNA)
where:
Base-Base interactions energy: -94.111
where: short stacking energy: -44.240
Base-Backbone interact. energy: -0.022
local terms energy: -42.450558
where:
bonds (distance) C4'-P energy: -9.714
bonds (distance) P-C4' energy: -9.650
flat angles C4'-P-C4' energy: -9.371
flat angles P-C4'-P energy: -2.387
tors. eta vs tors. theta energy: -11.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -129.575390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.575390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.575390 (E_RNA)
where:
Base-Base interactions energy: -85.888
where: short stacking energy: -33.891
Base-Backbone interact. energy: -0.638
local terms energy: -43.049856
where:
bonds (distance) C4'-P energy: -9.813
bonds (distance) P-C4' energy: -9.678
flat angles C4'-P-C4' energy: -8.182
flat angles P-C4'-P energy: -7.693
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: 6, replica: 4
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -132.709776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.709776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.709776 (E_RNA)
where:
Base-Base interactions energy: -87.233
where: short stacking energy: -40.355
Base-Backbone interact. energy: -1.632
local terms energy: -43.844921
where:
bonds (distance) C4'-P energy: -8.670
bonds (distance) P-C4' energy: -10.190
flat angles C4'-P-C4' energy: -7.469
flat angles P-C4'-P energy: -7.929
tors. eta vs tors. theta energy: -9.587
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: 176
Temperature: 1.200000
Total energy: -130.775904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.775904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.775904 (E_RNA)
where:
Base-Base interactions energy: -95.308
where: short stacking energy: -40.187
Base-Backbone interact. energy: -0.036
local terms energy: -35.431717
where:
bonds (distance) C4'-P energy: -6.335
bonds (distance) P-C4' energy: -9.675
flat angles C4'-P-C4' energy: -6.532
flat angles P-C4'-P energy: -5.567
tors. eta vs tors. theta energy: -7.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -124.264779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.264779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.264779 (E_RNA)
where:
Base-Base interactions energy: -89.921
where: short stacking energy: -40.387
Base-Backbone interact. energy: -0.244
local terms energy: -34.099800
where:
bonds (distance) C4'-P energy: -6.754
bonds (distance) P-C4' energy: -4.065
flat angles C4'-P-C4' energy: -9.240
flat angles P-C4'-P energy: -5.676
tors. eta vs tors. theta energy: -8.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -70.919182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.919182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.919182 (E_RNA)
where:
Base-Base interactions energy: -33.187
where: short stacking energy: -29.188
Base-Backbone interact. energy: -0.018
local terms energy: -37.713445
where:
bonds (distance) C4'-P energy: -9.155
bonds (distance) P-C4' energy: -11.600
flat angles C4'-P-C4' energy: -9.942
flat angles P-C4'-P energy: -2.391
tors. eta vs tors. theta energy: -4.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -59.550138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.550138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.550138 (E_RNA)
where:
Base-Base interactions energy: -27.284
where: short stacking energy: -26.108
Base-Backbone interact. energy: 1.295
local terms energy: -33.561073
where:
bonds (distance) C4'-P energy: -8.103
bonds (distance) P-C4' energy: -8.364
flat angles C4'-P-C4' energy: -7.053
flat angles P-C4'-P energy: -6.502
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: 1, replica: 5
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -142.613518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.613518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.613518 (E_RNA)
where:
Base-Base interactions energy: -99.040
where: short stacking energy: -47.301
Base-Backbone interact. energy: -0.813
local terms energy: -42.760195
where:
bonds (distance) C4'-P energy: -8.810
bonds (distance) P-C4' energy: -9.993
flat angles C4'-P-C4' energy: -8.947
flat angles P-C4'-P energy: -6.665
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: 2, replica: 10
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -139.431006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.431006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.431006 (E_RNA)
where:
Base-Base interactions energy: -94.675
where: short stacking energy: -43.740
Base-Backbone interact. energy: -1.473
local terms energy: -43.282079
where:
bonds (distance) C4'-P energy: -7.408
bonds (distance) P-C4' energy: -9.972
flat angles C4'-P-C4' energy: -8.557
flat angles P-C4'-P energy: -8.105
tors. eta vs tors. theta energy: -9.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -138.787636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.787636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.787636 (E_RNA)
where:
Base-Base interactions energy: -96.780
where: short stacking energy: -45.950
Base-Backbone interact. energy: -0.024
local terms energy: -41.983308
where:
bonds (distance) C4'-P energy: -6.936
bonds (distance) P-C4' energy: -9.011
flat angles C4'-P-C4' energy: -10.166
flat angles P-C4'-P energy: -7.177
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: 4, replica: 9
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -137.948788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.948788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.948788 (E_RNA)
where:
Base-Base interactions energy: -94.629
where: short stacking energy: -43.940
Base-Backbone interact. energy: -0.003
local terms energy: -43.316938
where:
bonds (distance) C4'-P energy: -9.307
bonds (distance) P-C4' energy: -7.896
flat angles C4'-P-C4' energy: -8.964
flat angles P-C4'-P energy: -6.114
tors. eta vs tors. theta energy: -11.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -137.242350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.242350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.242350 (E_RNA)
where:
Base-Base interactions energy: -95.144
where: short stacking energy: -44.628
Base-Backbone interact. energy: -0.004
local terms energy: -42.094637
where:
bonds (distance) C4'-P energy: -9.941
bonds (distance) P-C4' energy: -6.874
flat angles C4'-P-C4' energy: -9.901
flat angles P-C4'-P energy: -5.819
tors. eta vs tors. theta energy: -9.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -133.476392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.476392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.476392 (E_RNA)
where:
Base-Base interactions energy: -91.130
where: short stacking energy: -44.348
Base-Backbone interact. energy: 0.597
local terms energy: -42.943497
where:
bonds (distance) C4'-P energy: -7.344
bonds (distance) P-C4' energy: -10.895
flat angles C4'-P-C4' energy: -9.299
flat angles P-C4'-P energy: -6.485
tors. eta vs tors. theta energy: -8.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -134.541933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.541933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.541933 (E_RNA)
where:
Base-Base interactions energy: -91.555
where: short stacking energy: -42.649
Base-Backbone interact. energy: -1.228
local terms energy: -41.758828
where:
bonds (distance) C4'-P energy: -9.565
bonds (distance) P-C4' energy: -7.336
flat angles C4'-P-C4' energy: -7.666
flat angles P-C4'-P energy: -7.431
tors. eta vs tors. theta energy: -9.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -130.276747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.276747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.276747 (E_RNA)
where:
Base-Base interactions energy: -82.771
where: short stacking energy: -36.487
Base-Backbone interact. energy: -0.018
local terms energy: -47.487479
where:
bonds (distance) C4'-P energy: -10.061
bonds (distance) P-C4' energy: -11.131
flat angles C4'-P-C4' energy: -8.570
flat angles P-C4'-P energy: -7.878
tors. eta vs tors. theta energy: -9.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -64.984382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.984382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.984382 (E_RNA)
where:
Base-Base interactions energy: -38.246
where: short stacking energy: -30.581
Base-Backbone interact. energy: -0.075
local terms energy: -26.663051
where:
bonds (distance) C4'-P energy: -3.644
bonds (distance) P-C4' energy: -4.807
flat angles C4'-P-C4' energy: -8.271
flat angles P-C4'-P energy: -5.822
tors. eta vs tors. theta energy: -4.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -66.973093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.973093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.973093 (E_RNA)
where:
Base-Base interactions energy: -38.012
where: short stacking energy: -22.919
Base-Backbone interact. energy: -0.100
local terms energy: -28.861300
where:
bonds (distance) C4'-P energy: -6.828
bonds (distance) P-C4' energy: -9.119
flat angles C4'-P-C4' energy: -3.333
flat angles P-C4'-P energy: -1.789
tors. eta vs tors. theta energy: -7.792
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: 10
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -142.879712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.879712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.879712 (E_RNA)
where:
Base-Base interactions energy: -95.977
where: short stacking energy: -44.857
Base-Backbone interact. energy: -0.900
local terms energy: -46.003269
where:
bonds (distance) C4'-P energy: -10.107
bonds (distance) P-C4' energy: -11.128
flat angles C4'-P-C4' energy: -8.608
flat angles P-C4'-P energy: -5.438
tors. eta vs tors. theta energy: -10.722
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: 178
Temperature: 0.950000
Total energy: -139.702468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.702468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.702468 (E_RNA)
where:
Base-Base interactions energy: -94.515
where: short stacking energy: -46.350
Base-Backbone interact. energy: -1.511
local terms energy: -43.676311
where:
bonds (distance) C4'-P energy: -9.688
bonds (distance) P-C4' energy: -9.739
flat angles C4'-P-C4' energy: -7.056
flat angles P-C4'-P energy: -8.163
tors. eta vs tors. theta energy: -9.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -136.821194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.821194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.821194 (E_RNA)
where:
Base-Base interactions energy: -93.815
where: short stacking energy: -41.054
Base-Backbone interact. energy: -0.581
local terms energy: -42.425171
where:
bonds (distance) C4'-P energy: -9.175
bonds (distance) P-C4' energy: -9.383
flat angles C4'-P-C4' energy: -9.250
flat angles P-C4'-P energy: -5.606
tors. eta vs tors. theta energy: -9.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -134.811257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.811257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.811257 (E_RNA)
where:
Base-Base interactions energy: -99.994
where: short stacking energy: -41.643
Base-Backbone interact. energy: -0.027
local terms energy: -34.790717
where:
bonds (distance) C4'-P energy: -6.687
bonds (distance) P-C4' energy: -9.993
flat angles C4'-P-C4' energy: -8.066
flat angles P-C4'-P energy: -2.917
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: 5, replica: 2
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -132.988425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.988425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.988425 (E_RNA)
where:
Base-Base interactions energy: -88.941
where: short stacking energy: -40.398
Base-Backbone interact. energy: -0.901
local terms energy: -43.146830
where:
bonds (distance) C4'-P energy: -9.929
bonds (distance) P-C4' energy: -8.960
flat angles C4'-P-C4' energy: -9.150
flat angles P-C4'-P energy: -6.706
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: 8
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -133.911911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.911911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.911911 (E_RNA)
where:
Base-Base interactions energy: -95.675
where: short stacking energy: -44.001
Base-Backbone interact. energy: -0.010
local terms energy: -38.226160
where:
bonds (distance) C4'-P energy: -8.301
bonds (distance) P-C4' energy: -9.073
flat angles C4'-P-C4' energy: -8.622
flat angles P-C4'-P energy: -2.930
tors. eta vs tors. theta energy: -9.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -124.608884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.608884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.608884 (E_RNA)
where:
Base-Base interactions energy: -87.699
where: short stacking energy: -32.299
Base-Backbone interact. energy: 0.479
local terms energy: -37.388280
where:
bonds (distance) C4'-P energy: -6.613
bonds (distance) P-C4' energy: -9.054
flat angles C4'-P-C4' energy: -8.857
flat angles P-C4'-P energy: -6.528
tors. eta vs tors. theta energy: -6.335
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: 4
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -121.686419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.686419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.686419 (E_RNA)
where:
Base-Base interactions energy: -83.225
where: short stacking energy: -35.694
Base-Backbone interact. energy: -0.045
local terms energy: -38.417078
where:
bonds (distance) C4'-P energy: -8.898
bonds (distance) P-C4' energy: -8.756
flat angles C4'-P-C4' energy: -9.053
flat angles P-C4'-P energy: -6.657
tors. eta vs tors. theta energy: -5.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -58.848032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.848032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.848032 (E_RNA)
where:
Base-Base interactions energy: -25.185
where: short stacking energy: -23.196
Base-Backbone interact. energy: -0.130
local terms energy: -33.532939
where:
bonds (distance) C4'-P energy: -9.983
bonds (distance) P-C4' energy: -6.914
flat angles C4'-P-C4' energy: -9.371
flat angles P-C4'-P energy: -2.767
tors. eta vs tors. theta energy: -4.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -61.190028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.190028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.190028 (E_RNA)
where:
Base-Base interactions energy: -30.298
where: short stacking energy: -19.344
Base-Backbone interact. energy: -0.001
local terms energy: -30.890632
where:
bonds (distance) C4'-P energy: -9.299
bonds (distance) P-C4' energy: -9.739
flat angles C4'-P-C4' energy: -5.299
flat angles P-C4'-P energy: -5.581
tors. eta vs tors. theta energy: -0.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -140.652117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.652117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.652117 (E_RNA)
where:
Base-Base interactions energy: -95.906
where: short stacking energy: -45.550
Base-Backbone interact. energy: -0.913
local terms energy: -43.832738
where:
bonds (distance) C4'-P energy: -7.701
bonds (distance) P-C4' energy: -8.994
flat angles C4'-P-C4' energy: -11.177
flat angles P-C4'-P energy: -5.407
tors. eta vs tors. theta energy: -10.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -140.890279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.890279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.890279 (E_RNA)
where:
Base-Base interactions energy: -94.904
where: short stacking energy: -45.930
Base-Backbone interact. energy: -0.033
local terms energy: -45.953316
where:
bonds (distance) C4'-P energy: -10.177
bonds (distance) P-C4' energy: -11.131
flat angles C4'-P-C4' energy: -8.552
flat angles P-C4'-P energy: -4.667
tors. eta vs tors. theta energy: -11.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -140.634779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.634779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.634779 (E_RNA)
where:
Base-Base interactions energy: -95.967
where: short stacking energy: -46.684
Base-Backbone interact. energy: -0.522
local terms energy: -44.145825
where:
bonds (distance) C4'-P energy: -9.043
bonds (distance) P-C4' energy: -9.950
flat angles C4'-P-C4' energy: -9.198
flat angles P-C4'-P energy: -6.145
tors. eta vs tors. theta energy: -9.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -139.363330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.363330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.363330 (E_RNA)
where:
Base-Base interactions energy: -93.183
where: short stacking energy: -43.999
Base-Backbone interact. energy: 0.106
local terms energy: -46.285651
where:
bonds (distance) C4'-P energy: -9.743
bonds (distance) P-C4' energy: -7.484
flat angles C4'-P-C4' energy: -10.446
flat angles P-C4'-P energy: -6.380
tors. eta vs tors. theta energy: -12.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -133.729344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.729344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.729344 (E_RNA)
where:
Base-Base interactions energy: -89.899
where: short stacking energy: -37.830
Base-Backbone interact. energy: -0.583
local terms energy: -43.247223
where:
bonds (distance) C4'-P energy: -8.339
bonds (distance) P-C4' energy: -8.855
flat angles C4'-P-C4' energy: -11.042
flat angles P-C4'-P energy: -6.519
tors. eta vs tors. theta energy: -8.493
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: 1
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -132.597759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.597759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.597759 (E_RNA)
where:
Base-Base interactions energy: -87.158
where: short stacking energy: -38.442
Base-Backbone interact. energy: -0.833
local terms energy: -44.606983
where:
bonds (distance) C4'-P energy: -8.289
bonds (distance) P-C4' energy: -9.432
flat angles C4'-P-C4' energy: -9.613
flat angles P-C4'-P energy: -6.475
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: 7, replica: 8
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -140.094427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.094427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.094427 (E_RNA)
where:
Base-Base interactions energy: -102.689
where: short stacking energy: -41.068
Base-Backbone interact. energy: -0.008
local terms energy: -37.397605
where:
bonds (distance) C4'-P energy: -8.703
bonds (distance) P-C4' energy: -11.099
flat angles C4'-P-C4' energy: -4.248
flat angles P-C4'-P energy: -5.625
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: 8, replica: 4
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -122.983359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.983359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.983359 (E_RNA)
where:
Base-Base interactions energy: -83.734
where: short stacking energy: -38.348
Base-Backbone interact. energy: -1.480
local terms energy: -37.768817
where:
bonds (distance) C4'-P energy: -6.573
bonds (distance) P-C4' energy: -8.660
flat angles C4'-P-C4' energy: -9.971
flat angles P-C4'-P energy: -3.309
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: 9, replica: 3
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -55.270344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.270344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.270344 (E_RNA)
where:
Base-Base interactions energy: -23.177
where: short stacking energy: -23.177
Base-Backbone interact. energy: -0.057
local terms energy: -32.036860
where:
bonds (distance) C4'-P energy: -5.793
bonds (distance) P-C4' energy: -10.877
flat angles C4'-P-C4' energy: -8.234
flat angles P-C4'-P energy: -4.565
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: 179
Temperature: 1.350000
Total energy: -57.813525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.813525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.813525 (E_RNA)
where:
Base-Base interactions energy: -24.205
where: short stacking energy: -24.205
Base-Backbone interact. energy: -0.039
local terms energy: -33.569371
where:
bonds (distance) C4'-P energy: -8.653
bonds (distance) P-C4' energy: -6.017
flat angles C4'-P-C4' energy: -6.290
flat angles P-C4'-P energy: -5.483
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: 1, replica: 9
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -144.117143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.117143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.117143 (E_RNA)
where:
Base-Base interactions energy: -98.302
where: short stacking energy: -45.478
Base-Backbone interact. energy: -0.019
local terms energy: -45.795794
where:
bonds (distance) C4'-P energy: -8.516
bonds (distance) P-C4' energy: -10.849
flat angles C4'-P-C4' energy: -9.848
flat angles P-C4'-P energy: -6.014
tors. eta vs tors. theta energy: -10.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -146.398344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.398344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.398344 (E_RNA)
where:
Base-Base interactions energy: -98.070
where: short stacking energy: -46.542
Base-Backbone interact. energy: -2.423
local terms energy: -45.905295
where:
bonds (distance) C4'-P energy: -10.401
bonds (distance) P-C4' energy: -9.861
flat angles C4'-P-C4' energy: -9.743
flat angles P-C4'-P energy: -5.200
tors. eta vs tors. theta energy: -10.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -138.743499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.743499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.743499 (E_RNA)
where:
Base-Base interactions energy: -99.147
where: short stacking energy: -45.800
Base-Backbone interact. energy: -0.005
local terms energy: -39.591968
where:
bonds (distance) C4'-P energy: -6.348
bonds (distance) P-C4' energy: -8.843
flat angles C4'-P-C4' energy: -10.443
flat angles P-C4'-P energy: -5.617
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: 4, replica: 5
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -133.635309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.635309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.635309 (E_RNA)
where:
Base-Base interactions energy: -89.573
where: short stacking energy: -37.339
Base-Backbone interact. energy: -1.722
local terms energy: -42.340248
where:
bonds (distance) C4'-P energy: -10.508
bonds (distance) P-C4' energy: -9.211
flat angles C4'-P-C4' energy: -9.597
flat angles P-C4'-P energy: -8.317
tors. eta vs tors. theta energy: -4.707
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: 1
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -136.045358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.045358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.045358 (E_RNA)
where:
Base-Base interactions energy: -91.456
where: short stacking energy: -42.075
Base-Backbone interact. energy: 0.257
local terms energy: -44.846370
where:
bonds (distance) C4'-P energy: -7.047
bonds (distance) P-C4' energy: -10.570
flat angles C4'-P-C4' energy: -8.658
flat angles P-C4'-P energy: -7.548
tors. eta vs tors. theta energy: -11.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -136.204508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.204508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.204508 (E_RNA)
where:
Base-Base interactions energy: -93.450
where: short stacking energy: -44.409
Base-Backbone interact. energy: 0.034
local terms energy: -42.788469
where:
bonds (distance) C4'-P energy: -8.661
bonds (distance) P-C4' energy: -11.110
flat angles C4'-P-C4' energy: -8.747
flat angles P-C4'-P energy: -5.007
tors. eta vs tors. theta energy: -9.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -132.616377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.616377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.616377 (E_RNA)
where:
Base-Base interactions energy: -93.512
where: short stacking energy: -42.731
Base-Backbone interact. energy: -0.710
local terms energy: -38.395159
where:
bonds (distance) C4'-P energy: -6.393
bonds (distance) P-C4' energy: -8.379
flat angles C4'-P-C4' energy: -9.944
flat angles P-C4'-P energy: -4.005
tors. eta vs tors. theta energy: -9.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -141.798255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.798255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.798255 (E_RNA)
where:
Base-Base interactions energy: -106.459
where: short stacking energy: -43.289
Base-Backbone interact. energy: -0.002
local terms energy: -35.337355
where:
bonds (distance) C4'-P energy: -5.304
bonds (distance) P-C4' energy: -8.604
flat angles C4'-P-C4' energy: -10.318
flat angles P-C4'-P energy: -2.346
tors. eta vs tors. theta energy: -8.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -69.262645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.262645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.262645 (E_RNA)
where:
Base-Base interactions energy: -32.714
where: short stacking energy: -28.503
Base-Backbone interact. energy: -0.079
local terms energy: -36.469947
where:
bonds (distance) C4'-P energy: -8.103
bonds (distance) P-C4' energy: -10.887
flat angles C4'-P-C4' energy: -8.285
flat angles P-C4'-P energy: -5.487
tors. eta vs tors. theta energy: -3.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -56.696685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.696685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.696685 (E_RNA)
where:
Base-Base interactions energy: -22.973
where: short stacking energy: -22.973
Base-Backbone interact. energy: -0.062
local terms energy: -33.661959
where:
bonds (distance) C4'-P energy: -9.883
bonds (distance) P-C4' energy: -10.398
flat angles C4'-P-C4' energy: -9.076
flat angles P-C4'-P energy: -5.374
tors. eta vs tors. theta energy: 1.069
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: 9
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -138.002430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.002430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.002430 (E_RNA)
where:
Base-Base interactions energy: -93.933
where: short stacking energy: -44.069
Base-Backbone interact. energy: -0.134
local terms energy: -43.935871
where:
bonds (distance) C4'-P energy: -9.164
bonds (distance) P-C4' energy: -9.414
flat angles C4'-P-C4' energy: -10.486
flat angles P-C4'-P energy: -5.448
tors. eta vs tors. theta energy: -9.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -142.609812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.609812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.609812 (E_RNA)
where:
Base-Base interactions energy: -94.849
where: short stacking energy: -44.534
Base-Backbone interact. energy: -0.192
local terms energy: -47.568173
where:
bonds (distance) C4'-P energy: -10.347
bonds (distance) P-C4' energy: -9.379
flat angles C4'-P-C4' energy: -9.946
flat angles P-C4'-P energy: -6.977
tors. eta vs tors. theta energy: -10.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -140.083254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.083254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.083254 (E_RNA)
where:
Base-Base interactions energy: -94.788
where: short stacking energy: -42.852
Base-Backbone interact. energy: -0.366
local terms energy: -44.929082
where:
bonds (distance) C4'-P energy: -8.446
bonds (distance) P-C4' energy: -9.373
flat angles C4'-P-C4' energy: -9.905
flat angles P-C4'-P energy: -6.444
tors. eta vs tors. theta energy: -10.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -128.509360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.509360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.509360 (E_RNA)
where:
Base-Base interactions energy: -90.895
where: short stacking energy: -40.387
Base-Backbone interact. energy: -0.736
local terms energy: -36.878958
where:
bonds (distance) C4'-P energy: -7.785
bonds (distance) P-C4' energy: -7.966
flat angles C4'-P-C4' energy: -8.496
flat angles P-C4'-P energy: -5.994
tors. eta vs tors. theta energy: -6.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -134.615127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.615127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.615127 (E_RNA)
where:
Base-Base interactions energy: -92.271
where: short stacking energy: -43.822
Base-Backbone interact. energy: -1.748
local terms energy: -40.596046
where:
bonds (distance) C4'-P energy: -5.883
bonds (distance) P-C4' energy: -9.094
flat angles C4'-P-C4' energy: -9.812
flat angles P-C4'-P energy: -7.418
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: 6, replica: 7
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -132.947899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.947899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.947899 (E_RNA)
where:
Base-Base interactions energy: -86.476
where: short stacking energy: -40.866
Base-Backbone interact. energy: -0.075
local terms energy: -46.397205
where:
bonds (distance) C4'-P energy: -9.014
bonds (distance) P-C4' energy: -10.084
flat angles C4'-P-C4' energy: -10.584
flat angles P-C4'-P energy: -6.360
tors. eta vs tors. theta energy: -10.355
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: 4
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -135.839461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.839461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.839461 (E_RNA)
where:
Base-Base interactions energy: -93.556
where: short stacking energy: -40.806
Base-Backbone interact. energy: -0.732
local terms energy: -41.551620
where:
bonds (distance) C4'-P energy: -9.436
bonds (distance) P-C4' energy: -6.732
flat angles C4'-P-C4' energy: -9.135
flat angles P-C4'-P energy: -7.461
tors. eta vs tors. theta energy: -8.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -131.204520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.204520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.204520 (E_RNA)
where:
Base-Base interactions energy: -88.710
where: short stacking energy: -40.656
Base-Backbone interact. energy: -0.962
local terms energy: -41.532871
where:
bonds (distance) C4'-P energy: -9.308
bonds (distance) P-C4' energy: -9.016
flat angles C4'-P-C4' energy: -7.889
flat angles P-C4'-P energy: -4.636
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: 9, replica: 6
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -55.423603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.423603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.423603 (E_RNA)
where:
Base-Base interactions energy: -31.617
where: short stacking energy: -31.617
Base-Backbone interact. energy: -0.026
local terms energy: -23.780590
where:
bonds (distance) C4'-P energy: -5.520
bonds (distance) P-C4' energy: -6.784
flat angles C4'-P-C4' energy: -4.089
flat angles P-C4'-P energy: -5.073
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: 10, replica: 3
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -65.664102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.664102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.664102 (E_RNA)
where:
Base-Base interactions energy: -32.813
where: short stacking energy: -25.055
Base-Backbone interact. energy: -0.049
local terms energy: -32.801858
where:
bonds (distance) C4'-P energy: -5.291
bonds (distance) P-C4' energy: -7.936
flat angles C4'-P-C4' energy: -10.425
flat angles P-C4'-P energy: -2.918
tors. eta vs tors. theta energy: -6.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -143.166363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.166363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.166363 (E_RNA)
where:
Base-Base interactions energy: -99.929
where: short stacking energy: -42.510
Base-Backbone interact. energy: -0.275
local terms energy: -42.962911
where:
bonds (distance) C4'-P energy: -9.296
bonds (distance) P-C4' energy: -9.925
flat angles C4'-P-C4' energy: -9.218
flat angles P-C4'-P energy: -5.532
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: 2, replica: 9
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -139.526420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.526420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.526420 (E_RNA)
where:
Base-Base interactions energy: -93.884
where: short stacking energy: -43.366
Base-Backbone interact. energy: -0.009
local terms energy: -45.633020
where:
bonds (distance) C4'-P energy: -8.421
bonds (distance) P-C4' energy: -11.128
flat angles C4'-P-C4' energy: -7.497
flat angles P-C4'-P energy: -6.574
tors. eta vs tors. theta energy: -12.013
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: 10
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -135.854615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.854615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.854615 (E_RNA)
where:
Base-Base interactions energy: -91.552
where: short stacking energy: -40.970
Base-Backbone interact. energy: -1.771
local terms energy: -42.531432
where:
bonds (distance) C4'-P energy: -6.928
bonds (distance) P-C4' energy: -11.092
flat angles C4'-P-C4' energy: -8.572
flat angles P-C4'-P energy: -6.940
tors. eta vs tors. theta energy: -9.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -140.662055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.662055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.662055 (E_RNA)
where:
Base-Base interactions energy: -95.806
where: short stacking energy: -43.974
Base-Backbone interact. energy: -0.004
local terms energy: -44.852303
where:
bonds (distance) C4'-P energy: -10.338
bonds (distance) P-C4' energy: -10.917
flat angles C4'-P-C4' energy: -9.096
flat angles P-C4'-P energy: -6.407
tors. eta vs tors. theta energy: -8.095
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: 7
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -135.135459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.135459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.135459 (E_RNA)
where:
Base-Base interactions energy: -93.775
where: short stacking energy: -45.139
Base-Backbone interact. energy: -1.161
local terms energy: -40.199764
where:
bonds (distance) C4'-P energy: -5.945
bonds (distance) P-C4' energy: -8.536
flat angles C4'-P-C4' energy: -9.725
flat angles P-C4'-P energy: -6.274
tors. eta vs tors. theta energy: -9.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -138.832880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.832880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.832880 (E_RNA)
where:
Base-Base interactions energy: -97.571
where: short stacking energy: -45.452
Base-Backbone interact. energy: -2.103
local terms energy: -39.159113
where:
bonds (distance) C4'-P energy: -5.003
bonds (distance) P-C4' energy: -9.355
flat angles C4'-P-C4' energy: -7.221
flat angles P-C4'-P energy: -6.226
tors. eta vs tors. theta energy: -11.354
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: 8
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -124.936497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.936497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.936497 (E_RNA)
where:
Base-Base interactions energy: -85.678
where: short stacking energy: -34.785
Base-Backbone interact. energy: -0.464
local terms energy: -38.794895
where:
bonds (distance) C4'-P energy: -10.057
bonds (distance) P-C4' energy: -9.488
flat angles C4'-P-C4' energy: -6.710
flat angles P-C4'-P energy: -6.519
tors. eta vs tors. theta energy: -6.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -120.915410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.915410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.915410 (E_RNA)
where:
Base-Base interactions energy: -84.937
where: short stacking energy: -39.869
Base-Backbone interact. energy: -0.468
local terms energy: -35.509920
where:
bonds (distance) C4'-P energy: -7.308
bonds (distance) P-C4' energy: -8.033
flat angles C4'-P-C4' energy: -5.591
flat angles P-C4'-P energy: -2.775
tors. eta vs tors. theta energy: -11.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -59.166680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.166680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.166680 (E_RNA)
where:
Base-Base interactions energy: -30.187
where: short stacking energy: -30.187
Base-Backbone interact. energy: -0.014
local terms energy: -28.965492
where:
bonds (distance) C4'-P energy: -7.383
bonds (distance) P-C4' energy: -6.508
flat angles C4'-P-C4' energy: -6.337
flat angles P-C4'-P energy: -6.490
tors. eta vs tors. theta energy: -2.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -63.050009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.050009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.050009 (E_RNA)
where:
Base-Base interactions energy: -28.402
where: short stacking energy: -24.971
Base-Backbone interact. energy: -0.101
local terms energy: -34.547226
where:
bonds (distance) C4'-P energy: -6.219
bonds (distance) P-C4' energy: -9.601
flat angles C4'-P-C4' energy: -8.682
flat angles P-C4'-P energy: -6.307
tors. eta vs tors. theta energy: -3.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -140.928093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.928093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.928093 (E_RNA)
where:
Base-Base interactions energy: -101.620
where: short stacking energy: -38.899
Base-Backbone interact. energy: 0.223
local terms energy: -39.530539
where:
bonds (distance) C4'-P energy: -7.586
bonds (distance) P-C4' energy: -9.957
flat angles C4'-P-C4' energy: -8.575
flat angles P-C4'-P energy: -2.793
tors. eta vs tors. theta energy: -10.620
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: 10
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -140.888004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.888004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.888004 (E_RNA)
where:
Base-Base interactions energy: -95.631
where: short stacking energy: -45.769
Base-Backbone interact. energy: -1.021
local terms energy: -44.236352
where:
bonds (distance) C4'-P energy: -8.658
bonds (distance) P-C4' energy: -9.144
flat angles C4'-P-C4' energy: -10.182
flat angles P-C4'-P energy: -7.975
tors. eta vs tors. theta energy: -8.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -136.259762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.259762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.259762 (E_RNA)
where:
Base-Base interactions energy: -96.151
where: short stacking energy: -46.399
Base-Backbone interact. energy: 0.923
local terms energy: -41.031971
where:
bonds (distance) C4'-P energy: -7.451
bonds (distance) P-C4' energy: -9.539
flat angles C4'-P-C4' energy: -6.774
flat angles P-C4'-P energy: -8.769
tors. eta vs tors. theta energy: -8.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -134.359821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.359821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.359821 (E_RNA)
where:
Base-Base interactions energy: -90.128
where: short stacking energy: -41.750
Base-Backbone interact. energy: -0.351
local terms energy: -43.880240
where:
bonds (distance) C4'-P energy: -10.732
bonds (distance) P-C4' energy: -8.252
flat angles C4'-P-C4' energy: -10.075
flat angles P-C4'-P energy: -6.528
tors. eta vs tors. theta energy: -8.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -132.488246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.488246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.488246 (E_RNA)
where:
Base-Base interactions energy: -88.399
where: short stacking energy: -35.928
Base-Backbone interact. energy: -0.011
local terms energy: -44.079071
where:
bonds (distance) C4'-P energy: -10.285
bonds (distance) P-C4' energy: -9.091
flat angles C4'-P-C4' energy: -8.798
flat angles P-C4'-P energy: -6.350
tors. eta vs tors. theta energy: -9.555
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: 6, replica: 8
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -136.122015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.122015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.122015 (E_RNA)
where:
Base-Base interactions energy: -92.538
where: short stacking energy: -40.750
Base-Backbone interact. energy: -0.103
local terms energy: -43.480576
where:
bonds (distance) C4'-P energy: -8.712
bonds (distance) P-C4' energy: -10.898
flat angles C4'-P-C4' energy: -8.184
flat angles P-C4'-P energy: -6.494
tors. eta vs tors. theta energy: -9.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -132.555864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.555864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.555864 (E_RNA)
where:
Base-Base interactions energy: -91.168
where: short stacking energy: -35.075
Base-Backbone interact. energy: -1.173
local terms energy: -40.214724
where:
bonds (distance) C4'-P energy: -8.115
bonds (distance) P-C4' energy: -7.497
flat angles C4'-P-C4' energy: -8.887
flat angles P-C4'-P energy: -6.098
tors. eta vs tors. theta energy: -9.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -125.560097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.560097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.560097 (E_RNA)
where:
Base-Base interactions energy: -85.692
where: short stacking energy: -37.838
Base-Backbone interact. energy: -0.339
local terms energy: -39.529294
where:
bonds (distance) C4'-P energy: -9.059
bonds (distance) P-C4' energy: -6.442
flat angles C4'-P-C4' energy: -8.264
flat angles P-C4'-P energy: -6.176
tors. eta vs tors. theta energy: -9.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -55.940698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.940698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.940698 (E_RNA)
where:
Base-Base interactions energy: -26.651
where: short stacking energy: -25.533
Base-Backbone interact. energy: -0.022
local terms energy: -29.267821
where:
bonds (distance) C4'-P energy: -5.043
bonds (distance) P-C4' energy: -7.230
flat angles C4'-P-C4' energy: -7.565
flat angles P-C4'-P energy: -5.977
tors. eta vs tors. theta energy: -3.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -55.615494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.615494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.615494 (E_RNA)
where:
Base-Base interactions energy: -27.487
where: short stacking energy: -27.487
Base-Backbone interact. energy: -0.029
local terms energy: -28.098837
where:
bonds (distance) C4'-P energy: -7.035
bonds (distance) P-C4' energy: -9.528
flat angles C4'-P-C4' energy: -7.162
flat angles P-C4'-P energy: -4.139
tors. eta vs tors. theta energy: -0.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -139.381855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.381855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.381855 (E_RNA)
where:
Base-Base interactions energy: -95.591
where: short stacking energy: -45.323
Base-Backbone interact. energy: -0.378
local terms energy: -43.413365
where:
bonds (distance) C4'-P energy: -9.030
bonds (distance) P-C4' energy: -9.821
flat angles C4'-P-C4' energy: -9.501
flat angles P-C4'-P energy: -6.540
tors. eta vs tors. theta energy: -8.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -141.053928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.053928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.053928 (E_RNA)
where:
Base-Base interactions energy: -96.918
where: short stacking energy: -38.271
Base-Backbone interact. energy: -0.017
local terms energy: -44.118813
where:
bonds (distance) C4'-P energy: -9.743
bonds (distance) P-C4' energy: -10.141
flat angles C4'-P-C4' energy: -7.847
flat angles P-C4'-P energy: -6.247
tors. eta vs tors. theta energy: -10.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -142.407293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.407293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.407293 (E_RNA)
where:
Base-Base interactions energy: -94.731
where: short stacking energy: -45.146
Base-Backbone interact. energy: -0.995
local terms energy: -46.681460
where:
bonds (distance) C4'-P energy: -10.732
bonds (distance) P-C4' energy: -9.957
flat angles C4'-P-C4' energy: -9.257
flat angles P-C4'-P energy: -6.846
tors. eta vs tors. theta energy: -9.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -127.192032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.192032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.192032 (E_RNA)
where:
Base-Base interactions energy: -90.558
where: short stacking energy: -40.291
Base-Backbone interact. energy: -0.044
local terms energy: -36.589985
where:
bonds (distance) C4'-P energy: -7.825
bonds (distance) P-C4' energy: -8.473
flat angles C4'-P-C4' energy: -7.909
flat angles P-C4'-P energy: -5.660
tors. eta vs tors. theta energy: -6.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -135.994424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.994424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.994424 (E_RNA)
where:
Base-Base interactions energy: -90.127
where: short stacking energy: -42.681
Base-Backbone interact. energy: -1.605
local terms energy: -44.262538
where:
bonds (distance) C4'-P energy: -6.786
bonds (distance) P-C4' energy: -9.781
flat angles C4'-P-C4' energy: -9.416
flat angles P-C4'-P energy: -7.969
tors. eta vs tors. theta energy: -10.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -130.502238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.502238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.502238 (E_RNA)
where:
Base-Base interactions energy: -96.763
where: short stacking energy: -37.738
Base-Backbone interact. energy: -0.001
local terms energy: -33.738323
where:
bonds (distance) C4'-P energy: -5.800
bonds (distance) P-C4' energy: -6.317
flat angles C4'-P-C4' energy: -7.406
flat angles P-C4'-P energy: -6.052
tors. eta vs tors. theta energy: -8.164
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: 7, replica: 4
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -126.462959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.462959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.462959 (E_RNA)
where:
Base-Base interactions energy: -88.785
where: short stacking energy: -26.652
Base-Backbone interact. energy: -0.109
local terms energy: -37.569241
where:
bonds (distance) C4'-P energy: -9.271
bonds (distance) P-C4' energy: -10.651
flat angles C4'-P-C4' energy: -7.402
flat angles P-C4'-P energy: -3.355
tors. eta vs tors. theta energy: -6.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -128.971909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.971909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.971909 (E_RNA)
where:
Base-Base interactions energy: -90.188
where: short stacking energy: -37.782
Base-Backbone interact. energy: -1.361
local terms energy: -37.423136
where:
bonds (distance) C4'-P energy: -6.885
bonds (distance) P-C4' energy: -6.626
flat angles C4'-P-C4' energy: -8.596
flat angles P-C4'-P energy: -7.848
tors. eta vs tors. theta energy: -7.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -69.700699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.700699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.700699 (E_RNA)
where:
Base-Base interactions energy: -37.315
where: short stacking energy: -22.564
Base-Backbone interact. energy: -0.040
local terms energy: -32.346068
where:
bonds (distance) C4'-P energy: -7.733
bonds (distance) P-C4' energy: -6.578
flat angles C4'-P-C4' energy: -6.632
flat angles P-C4'-P energy: -5.441
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: 10, replica: 3
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -61.241654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.241654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.241654 (E_RNA)
where:
Base-Base interactions energy: -31.067
where: short stacking energy: -30.500
Base-Backbone interact. energy: -0.034
local terms energy: -30.140079
where:
bonds (distance) C4'-P energy: -6.466
bonds (distance) P-C4' energy: -6.118
flat angles C4'-P-C4' energy: -7.090
flat angles P-C4'-P energy: -6.547
tors. eta vs tors. theta energy: -3.919
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: 10
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -138.696560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.696560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.696560 (E_RNA)
where:
Base-Base interactions energy: -97.606
where: short stacking energy: -42.939
Base-Backbone interact. energy: 1.914
local terms energy: -43.004695
where:
bonds (distance) C4'-P energy: -8.608
bonds (distance) P-C4' energy: -11.075
flat angles C4'-P-C4' energy: -7.208
flat angles P-C4'-P energy: -8.484
tors. eta vs tors. theta energy: -7.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -137.320135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.320135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.320135 (E_RNA)
where:
Base-Base interactions energy: -98.137
where: short stacking energy: -45.169
Base-Backbone interact. energy: -0.083
local terms energy: -39.100114
where:
bonds (distance) C4'-P energy: -9.005
bonds (distance) P-C4' energy: -6.531
flat angles C4'-P-C4' energy: -10.087
flat angles P-C4'-P energy: -2.142
tors. eta vs tors. theta energy: -11.334
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: 2
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -138.311332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.311332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.311332 (E_RNA)
where:
Base-Base interactions energy: -98.280
where: short stacking energy: -45.966
Base-Backbone interact. energy: -0.027
local terms energy: -40.004563
where:
bonds (distance) C4'-P energy: -5.801
bonds (distance) P-C4' energy: -9.965
flat angles C4'-P-C4' energy: -8.701
flat angles P-C4'-P energy: -7.132
tors. eta vs tors. theta energy: -8.405
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: 4, replica: 8
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -139.090661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.090661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.090661 (E_RNA)
where:
Base-Base interactions energy: -92.666
where: short stacking energy: -44.373
Base-Backbone interact. energy: -0.559
local terms energy: -45.865667
where:
bonds (distance) C4'-P energy: -9.158
bonds (distance) P-C4' energy: -10.383
flat angles C4'-P-C4' energy: -9.120
flat angles P-C4'-P energy: -6.385
tors. eta vs tors. theta energy: -10.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -135.304198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.304198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.304198 (E_RNA)
where:
Base-Base interactions energy: -92.590
where: short stacking energy: -43.935
Base-Backbone interact. energy: -2.204
local terms energy: -40.510557
where:
bonds (distance) C4'-P energy: -7.653
bonds (distance) P-C4' energy: -6.516
flat angles C4'-P-C4' energy: -7.589
flat angles P-C4'-P energy: -8.375
tors. eta vs tors. theta energy: -10.377
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: 6, replica: 4
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -132.458100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.458100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.458100 (E_RNA)
where:
Base-Base interactions energy: -89.150
where: short stacking energy: -41.718
Base-Backbone interact. energy: -0.096
local terms energy: -43.212115
where:
bonds (distance) C4'-P energy: -9.213
bonds (distance) P-C4' energy: -9.910
flat angles C4'-P-C4' energy: -9.524
flat angles P-C4'-P energy: -7.363
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: 7, replica: 7
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -127.783638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.783638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.783638 (E_RNA)
where:
Base-Base interactions energy: -89.107
where: short stacking energy: -33.765
Base-Backbone interact. energy: -0.003
local terms energy: -38.673273
where:
bonds (distance) C4'-P energy: -9.014
bonds (distance) P-C4' energy: -9.259
flat angles C4'-P-C4' energy: -8.105
flat angles P-C4'-P energy: -5.554
tors. eta vs tors. theta energy: -6.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -129.123972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.123972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.123972 (E_RNA)
where:
Base-Base interactions energy: -93.810
where: short stacking energy: -47.845
Base-Backbone interact. energy: -0.003
local terms energy: -35.310577
where:
bonds (distance) C4'-P energy: -6.661
bonds (distance) P-C4' energy: -8.153
flat angles C4'-P-C4' energy: -8.765
flat angles P-C4'-P energy: -0.931
tors. eta vs tors. theta energy: -10.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -65.541697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.541697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.541697 (E_RNA)
where:
Base-Base interactions energy: -30.964
where: short stacking energy: -30.964
Base-Backbone interact. energy: -0.225
local terms energy: -34.352921
where:
bonds (distance) C4'-P energy: -5.561
bonds (distance) P-C4' energy: -9.803
flat angles C4'-P-C4' energy: -8.168
flat angles P-C4'-P energy: -5.761
tors. eta vs tors. theta energy: -5.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -59.413628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.413628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.413628 (E_RNA)
where:
Base-Base interactions energy: -33.858
where: short stacking energy: -11.686
Base-Backbone interact. energy: -0.508
local terms energy: -25.046891
where:
bonds (distance) C4'-P energy: -8.819
bonds (distance) P-C4' energy: -8.837
flat angles C4'-P-C4' energy: -5.891
flat angles P-C4'-P energy: -1.567
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: 1, replica: 5
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -146.838168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.838168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.838168 (E_RNA)
where:
Base-Base interactions energy: -102.575
where: short stacking energy: -43.759
Base-Backbone interact. energy: -0.009
local terms energy: -44.254548
where:
bonds (distance) C4'-P energy: -8.836
bonds (distance) P-C4' energy: -9.171
flat angles C4'-P-C4' energy: -10.406
flat angles P-C4'-P energy: -6.162
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: 2, replica: 10
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -144.571078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.571078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.571078 (E_RNA)
where:
Base-Base interactions energy: -95.591
where: short stacking energy: -43.375
Base-Backbone interact. energy: -1.132
local terms energy: -47.847964
where:
bonds (distance) C4'-P energy: -9.892
bonds (distance) P-C4' energy: -10.355
flat angles C4'-P-C4' energy: -8.496
flat angles P-C4'-P energy: -7.798
tors. eta vs tors. theta energy: -11.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -140.162564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.162564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.162564 (E_RNA)
where:
Base-Base interactions energy: -97.226
where: short stacking energy: -43.344
Base-Backbone interact. energy: -0.120
local terms energy: -42.816771
where:
bonds (distance) C4'-P energy: -8.942
bonds (distance) P-C4' energy: -10.327
flat angles C4'-P-C4' energy: -8.714
flat angles P-C4'-P energy: -6.999
tors. eta vs tors. theta energy: -7.834
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: 8
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -132.506873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.506873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.506873 (E_RNA)
where:
Base-Base interactions energy: -88.446
where: short stacking energy: -42.001
Base-Backbone interact. energy: -0.012
local terms energy: -44.048692
where:
bonds (distance) C4'-P energy: -8.083
bonds (distance) P-C4' energy: -10.380
flat angles C4'-P-C4' energy: -10.422
flat angles P-C4'-P energy: -7.630
tors. eta vs tors. theta energy: -7.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -132.165359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.165359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.165359 (E_RNA)
where:
Base-Base interactions energy: -90.964
where: short stacking energy: -41.870
Base-Backbone interact. energy: -0.723
local terms energy: -40.478348
where:
bonds (distance) C4'-P energy: -7.888
bonds (distance) P-C4' energy: -8.082
flat angles C4'-P-C4' energy: -7.607
flat angles P-C4'-P energy: -6.911
tors. eta vs tors. theta energy: -9.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -128.098663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.098663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.098663 (E_RNA)
where:
Base-Base interactions energy: -93.667
where: short stacking energy: -32.169
Base-Backbone interact. energy: -0.015
local terms energy: -34.416539
where:
bonds (distance) C4'-P energy: -9.681
bonds (distance) P-C4' energy: -9.379
flat angles C4'-P-C4' energy: -7.986
flat angles P-C4'-P energy: -0.667
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: 7, replica: 1
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -127.376852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.376852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.376852 (E_RNA)
where:
Base-Base interactions energy: -88.667
where: short stacking energy: -40.207
Base-Backbone interact. energy: -0.007
local terms energy: -38.702825
where:
bonds (distance) C4'-P energy: -8.802
bonds (distance) P-C4' energy: -8.522
flat angles C4'-P-C4' energy: -8.711
flat angles P-C4'-P energy: -3.976
tors. eta vs tors. theta energy: -8.692
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: 7
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -126.652101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.652101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.652101 (E_RNA)
where:
Base-Base interactions energy: -86.524
where: short stacking energy: -36.292
Base-Backbone interact. energy: -0.088
local terms energy: -40.039621
where:
bonds (distance) C4'-P energy: -9.076
bonds (distance) P-C4' energy: -10.419
flat angles C4'-P-C4' energy: -7.395
flat angles P-C4'-P energy: -5.520
tors. eta vs tors. theta energy: -7.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -79.204517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.204517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.204517 (E_RNA)
where:
Base-Base interactions energy: -39.972
where: short stacking energy: -39.972
Base-Backbone interact. energy: -0.000
local terms energy: -39.232843
where:
bonds (distance) C4'-P energy: -7.884
bonds (distance) P-C4' energy: -10.677
flat angles C4'-P-C4' energy: -8.115
flat angles P-C4'-P energy: -0.346
tors. eta vs tors. theta energy: -12.211
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: 3
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -58.585574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.585574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.585574 (E_RNA)
where:
Base-Base interactions energy: -23.123
where: short stacking energy: -18.803
Base-Backbone interact. energy: -0.719
local terms energy: -34.742775
where:
bonds (distance) C4'-P energy: -8.881
bonds (distance) P-C4' energy: -9.031
flat angles C4'-P-C4' energy: -7.862
flat angles P-C4'-P energy: -5.886
tors. eta vs tors. theta energy: -3.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -146.225536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.225536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.225536 (E_RNA)
where:
Base-Base interactions energy: -108.209
where: short stacking energy: -43.887
Base-Backbone interact. energy: 1.179
local terms energy: -39.196086
where:
bonds (distance) C4'-P energy: -7.548
bonds (distance) P-C4' energy: -10.157
flat angles C4'-P-C4' energy: -10.291
flat angles P-C4'-P energy: -2.772
tors. eta vs tors. theta energy: -8.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -142.253334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.253334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.253334 (E_RNA)
where:
Base-Base interactions energy: -94.667
where: short stacking energy: -45.528
Base-Backbone interact. energy: -1.141
local terms energy: -46.445932
where:
bonds (distance) C4'-P energy: -10.740
bonds (distance) P-C4' energy: -9.503
flat angles C4'-P-C4' energy: -9.085
flat angles P-C4'-P energy: -7.444
tors. eta vs tors. theta energy: -9.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -137.670886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.670886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.670886 (E_RNA)
where:
Base-Base interactions energy: -97.594
where: short stacking energy: -46.796
Base-Backbone interact. energy: -0.817
local terms energy: -39.260105
where:
bonds (distance) C4'-P energy: -8.808
bonds (distance) P-C4' energy: -5.499
flat angles C4'-P-C4' energy: -8.761
flat angles P-C4'-P energy: -5.941
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: 4, replica: 9
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -134.259519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.259519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.259519 (E_RNA)
where:
Base-Base interactions energy: -93.560
where: short stacking energy: -45.086
Base-Backbone interact. energy: -0.162
local terms energy: -40.537706
where:
bonds (distance) C4'-P energy: -8.046
bonds (distance) P-C4' energy: -11.128
flat angles C4'-P-C4' energy: -8.230
flat angles P-C4'-P energy: -2.894
tors. eta vs tors. theta energy: -10.239
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: 5, replica: 8
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -129.975510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.975510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.975510 (E_RNA)
where:
Base-Base interactions energy: -95.838
where: short stacking energy: -34.817
Base-Backbone interact. energy: -0.002
local terms energy: -34.135897
where:
bonds (distance) C4'-P energy: -7.073
bonds (distance) P-C4' energy: -8.879
flat angles C4'-P-C4' energy: -8.126
flat angles P-C4'-P energy: -1.752
tors. eta vs tors. theta energy: -8.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -128.928190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.928190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.928190 (E_RNA)
where:
Base-Base interactions energy: -89.295
where: short stacking energy: -39.859
Base-Backbone interact. energy: -1.368
local terms energy: -38.264797
where:
bonds (distance) C4'-P energy: -8.128
bonds (distance) P-C4' energy: -9.901
flat angles C4'-P-C4' energy: -7.850
flat angles P-C4'-P energy: -5.174
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: 4
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -132.975999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.975999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.975999 (E_RNA)
where:
Base-Base interactions energy: -90.636
where: short stacking energy: -38.060
Base-Backbone interact. energy: -2.207
local terms energy: -40.132766
where:
bonds (distance) C4'-P energy: -4.984
bonds (distance) P-C4' energy: -8.079
flat angles C4'-P-C4' energy: -7.638
flat angles P-C4'-P energy: -7.777
tors. eta vs tors. theta energy: -11.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -127.900506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.900506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.900506 (E_RNA)
where:
Base-Base interactions energy: -83.440
where: short stacking energy: -34.836
Base-Backbone interact. energy: -1.213
local terms energy: -43.246941
where:
bonds (distance) C4'-P energy: -9.387
bonds (distance) P-C4' energy: -9.922
flat angles C4'-P-C4' energy: -8.871
flat angles P-C4'-P energy: -7.824
tors. eta vs tors. theta energy: -7.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -60.366349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.366349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.366349 (E_RNA)
where:
Base-Base interactions energy: -21.610
where: short stacking energy: -21.610
Base-Backbone interact. energy: -0.097
local terms energy: -38.660084
where:
bonds (distance) C4'-P energy: -10.214
bonds (distance) P-C4' energy: -7.805
flat angles C4'-P-C4' energy: -9.300
flat angles P-C4'-P energy: -6.211
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: 10, replica: 3
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -61.554901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.554901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.554901 (E_RNA)
where:
Base-Base interactions energy: -37.921
where: short stacking energy: -23.401
Base-Backbone interact. energy: 0.016
local terms energy: -23.649673
where:
bonds (distance) C4'-P energy: -2.728
bonds (distance) P-C4' energy: -5.928
flat angles C4'-P-C4' energy: -6.043
flat angles P-C4'-P energy: -4.008
tors. eta vs tors. theta energy: -4.943
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: 1, replica: 10
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -143.959959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.959959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.959959 (E_RNA)
where:
Base-Base interactions energy: -97.804
where: short stacking energy: -46.070
Base-Backbone interact. energy: -0.006
local terms energy: -46.150414
where:
bonds (distance) C4'-P energy: -7.758
bonds (distance) P-C4' energy: -10.592
flat angles C4'-P-C4' energy: -10.001
flat angles P-C4'-P energy: -8.920
tors. eta vs tors. theta energy: -8.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -136.119048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.119048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.119048 (E_RNA)
where:
Base-Base interactions energy: -94.271
where: short stacking energy: -42.418
Base-Backbone interact. energy: -0.588
local terms energy: -41.259823
where:
bonds (distance) C4'-P energy: -8.662
bonds (distance) P-C4' energy: -10.820
flat angles C4'-P-C4' energy: -8.561
flat angles P-C4'-P energy: -5.299
tors. eta vs tors. theta energy: -7.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -133.401371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.401371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.401371 (E_RNA)
where:
Base-Base interactions energy: -92.053
where: short stacking energy: -40.108
Base-Backbone interact. energy: -1.254
local terms energy: -40.094264
where:
bonds (distance) C4'-P energy: -7.361
bonds (distance) P-C4' energy: -8.005
flat angles C4'-P-C4' energy: -7.657
flat angles P-C4'-P energy: -6.887
tors. eta vs tors. theta energy: -10.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -130.068413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.068413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.068413 (E_RNA)
where:
Base-Base interactions energy: -93.509
where: short stacking energy: -42.887
Base-Backbone interact. energy: -0.216
local terms energy: -36.343891
where:
bonds (distance) C4'-P energy: -6.811
bonds (distance) P-C4' energy: -9.619
flat angles C4'-P-C4' energy: -6.571
flat angles P-C4'-P energy: -4.883
tors. eta vs tors. theta energy: -8.460
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: 1
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -130.426471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.426471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.426471 (E_RNA)
where:
Base-Base interactions energy: -91.496
where: short stacking energy: -43.865
Base-Backbone interact. energy: -0.835
local terms energy: -38.095127
where:
bonds (distance) C4'-P energy: -7.168
bonds (distance) P-C4' energy: -10.898
flat angles C4'-P-C4' energy: -4.143
flat angles P-C4'-P energy: -5.328
tors. eta vs tors. theta energy: -10.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -132.011437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.011437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.011437 (E_RNA)
where:
Base-Base interactions energy: -91.320
where: short stacking energy: -41.346
Base-Backbone interact. energy: -1.160
local terms energy: -39.530625
where:
bonds (distance) C4'-P energy: -7.338
bonds (distance) P-C4' energy: -9.212
flat angles C4'-P-C4' energy: -10.450
flat angles P-C4'-P energy: -4.236
tors. eta vs tors. theta energy: -8.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -123.702418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.702418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.702418 (E_RNA)
where:
Base-Base interactions energy: -81.275
where: short stacking energy: -34.552
Base-Backbone interact. energy: -0.599
local terms energy: -41.828256
where:
bonds (distance) C4'-P energy: -8.578
bonds (distance) P-C4' energy: -9.380
flat angles C4'-P-C4' energy: -10.029
flat angles P-C4'-P energy: -5.519
tors. eta vs tors. theta energy: -8.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -137.035739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.035739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.035739 (E_RNA)
where:
Base-Base interactions energy: -96.979
where: short stacking energy: -40.950
Base-Backbone interact. energy: -0.010
local terms energy: -40.046957
where:
bonds (distance) C4'-P energy: -8.376
bonds (distance) P-C4' energy: -8.196
flat angles C4'-P-C4' energy: -8.773
flat angles P-C4'-P energy: -5.557
tors. eta vs tors. theta energy: -9.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -68.665620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.665620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.665620 (E_RNA)
where:
Base-Base interactions energy: -32.785
where: short stacking energy: -32.785
Base-Backbone interact. energy: -0.014
local terms energy: -35.866979
where:
bonds (distance) C4'-P energy: -9.671
bonds (distance) P-C4' energy: -10.609
flat angles C4'-P-C4' energy: -5.645
flat angles P-C4'-P energy: -4.841
tors. eta vs tors. theta energy: -5.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -65.257313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.257313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.257313 (E_RNA)
where:
Base-Base interactions energy: -30.477
where: short stacking energy: -23.969
Base-Backbone interact. energy: -0.022
local terms energy: -34.757786
where:
bonds (distance) C4'-P energy: -8.525
bonds (distance) P-C4' energy: -10.186
flat angles C4'-P-C4' energy: -8.305
flat angles P-C4'-P energy: -6.687
tors. eta vs tors. theta energy: -1.055
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: 189
Temperature: 0.900000
Total energy: -145.194794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.194794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.194794 (E_RNA)
where:
Base-Base interactions energy: -99.354
where: short stacking energy: -47.057
Base-Backbone interact. energy: -1.166
local terms energy: -44.674372
where:
bonds (distance) C4'-P energy: -9.859
bonds (distance) P-C4' energy: -9.761
flat angles C4'-P-C4' energy: -7.791
flat angles P-C4'-P energy: -6.731
tors. eta vs tors. theta energy: -10.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -139.277448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.277448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.277448 (E_RNA)
where:
Base-Base interactions energy: -98.482
where: short stacking energy: -45.545
Base-Backbone interact. energy: -0.679
local terms energy: -40.116043
where:
bonds (distance) C4'-P energy: -6.293
bonds (distance) P-C4' energy: -5.462
flat angles C4'-P-C4' energy: -10.973
flat angles P-C4'-P energy: -8.006
tors. eta vs tors. theta energy: -9.382
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: 3, replica: 5
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -140.939164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.939164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.939164 (E_RNA)
where:
Base-Base interactions energy: -93.533
where: short stacking energy: -43.625
Base-Backbone interact. energy: -0.397
local terms energy: -47.009145
where:
bonds (distance) C4'-P energy: -9.887
bonds (distance) P-C4' energy: -10.652
flat angles C4'-P-C4' energy: -8.885
flat angles P-C4'-P energy: -6.801
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: 4, replica: 1
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -135.225256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.225256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.225256 (E_RNA)
where:
Base-Base interactions energy: -95.103
where: short stacking energy: -44.715
Base-Backbone interact. energy: -0.827
local terms energy: -39.295214
where:
bonds (distance) C4'-P energy: -9.671
bonds (distance) P-C4' energy: -6.483
flat angles C4'-P-C4' energy: -7.836
flat angles P-C4'-P energy: -5.379
tors. eta vs tors. theta energy: -9.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -132.655032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.655032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.655032 (E_RNA)
where:
Base-Base interactions energy: -92.130
where: short stacking energy: -38.242
Base-Backbone interact. energy: -0.099
local terms energy: -40.425146
where:
bonds (distance) C4'-P energy: -8.828
bonds (distance) P-C4' energy: -10.178
flat angles C4'-P-C4' energy: -10.487
flat angles P-C4'-P energy: -2.684
tors. eta vs tors. theta energy: -8.248
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: 6, replica: 7
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -129.226632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.226632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.226632 (E_RNA)
where:
Base-Base interactions energy: -89.762
where: short stacking energy: -38.867
Base-Backbone interact. energy: -0.008
local terms energy: -39.457180
where:
bonds (distance) C4'-P energy: -8.273
bonds (distance) P-C4' energy: -9.997
flat angles C4'-P-C4' energy: -10.215
flat angles P-C4'-P energy: -1.867
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: 8
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -117.927665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.927665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.927665 (E_RNA)
where:
Base-Base interactions energy: -84.457
where: short stacking energy: -41.988
Base-Backbone interact. energy: -1.382
local terms energy: -32.088510
where:
bonds (distance) C4'-P energy: -7.809
bonds (distance) P-C4' energy: -5.269
flat angles C4'-P-C4' energy: -5.576
flat angles P-C4'-P energy: -3.620
tors. eta vs tors. theta energy: -9.814
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: 8, replica: 3
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -63.422010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.422010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.422010 (E_RNA)
where:
Base-Base interactions energy: -27.507
where: short stacking energy: -27.507
Base-Backbone interact. energy: -0.163
local terms energy: -35.752310
where:
bonds (distance) C4'-P energy: -10.045
bonds (distance) P-C4' energy: -9.975
flat angles C4'-P-C4' energy: -6.070
flat angles P-C4'-P energy: -6.921
tors. eta vs tors. theta energy: -2.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -111.817222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.817222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.817222 (E_RNA)
where:
Base-Base interactions energy: -79.215
where: short stacking energy: -30.555
Base-Backbone interact. energy: -0.199
local terms energy: -32.402968
where:
bonds (distance) C4'-P energy: -5.686
bonds (distance) P-C4' energy: -8.813
flat angles C4'-P-C4' energy: -7.539
flat angles P-C4'-P energy: -3.243
tors. eta vs tors. theta energy: -7.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -77.931970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.931970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.931970 (E_RNA)
where:
Base-Base interactions energy: -34.840
where: short stacking energy: -34.411
Base-Backbone interact. energy: -0.001
local terms energy: -43.091311
where:
bonds (distance) C4'-P energy: -6.642
bonds (distance) P-C4' energy: -9.901
flat angles C4'-P-C4' energy: -10.674
flat angles P-C4'-P energy: -8.055
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: 1, replica: 9
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -139.220584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.220584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.220584 (E_RNA)
where:
Base-Base interactions energy: -95.344
where: short stacking energy: -44.995
Base-Backbone interact. energy: -0.573
local terms energy: -43.303656
where:
bonds (distance) C4'-P energy: -9.983
bonds (distance) P-C4' energy: -9.761
flat angles C4'-P-C4' energy: -10.695
flat angles P-C4'-P energy: -5.257
tors. eta vs tors. theta energy: -7.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -144.371204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.371204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.371204 (E_RNA)
where:
Base-Base interactions energy: -99.606
where: short stacking energy: -47.119
Base-Backbone interact. energy: -1.534
local terms energy: -43.231120
where:
bonds (distance) C4'-P energy: -8.083
bonds (distance) P-C4' energy: -9.411
flat angles C4'-P-C4' energy: -8.368
flat angles P-C4'-P energy: -7.835
tors. eta vs tors. theta energy: -9.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -139.493877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.493877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.493877 (E_RNA)
where:
Base-Base interactions energy: -93.517
where: short stacking energy: -44.973
Base-Backbone interact. energy: -0.001
local terms energy: -45.975819
where:
bonds (distance) C4'-P energy: -9.519
bonds (distance) P-C4' energy: -9.954
flat angles C4'-P-C4' energy: -10.813
flat angles P-C4'-P energy: -6.401
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: 4, replica: 5
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -129.813517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.813517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.813517 (E_RNA)
where:
Base-Base interactions energy: -85.664
where: short stacking energy: -37.957
Base-Backbone interact. energy: -1.529
local terms energy: -42.619823
where:
bonds (distance) C4'-P energy: -9.804
bonds (distance) P-C4' energy: -10.391
flat angles C4'-P-C4' energy: -9.396
flat angles P-C4'-P energy: -5.846
tors. eta vs tors. theta energy: -7.183
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: 190
Temperature: 1.100000
Total energy: -133.246571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.246571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.246571 (E_RNA)
where:
Base-Base interactions energy: -93.252
where: short stacking energy: -43.114
Base-Backbone interact. energy: -0.021
local terms energy: -39.973165
where:
bonds (distance) C4'-P energy: -8.435
bonds (distance) P-C4' energy: -8.424
flat angles C4'-P-C4' energy: -9.787
flat angles P-C4'-P energy: -4.056
tors. eta vs tors. theta energy: -9.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -138.388181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.388181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.388181 (E_RNA)
where:
Base-Base interactions energy: -97.045
where: short stacking energy: -43.527
Base-Backbone interact. energy: -0.379
local terms energy: -40.963524
where:
bonds (distance) C4'-P energy: -6.173
bonds (distance) P-C4' energy: -8.830
flat angles C4'-P-C4' energy: -11.006
flat angles P-C4'-P energy: -5.747
tors. eta vs tors. theta energy: -9.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -63.346819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.346819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.346819 (E_RNA)
where:
Base-Base interactions energy: -32.035
where: short stacking energy: -32.035
Base-Backbone interact. energy: -0.108
local terms energy: -31.203790
where:
bonds (distance) C4'-P energy: -9.229
bonds (distance) P-C4' energy: -2.887
flat angles C4'-P-C4' energy: -4.379
flat angles P-C4'-P energy: -7.520
tors. eta vs tors. theta energy: -7.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -122.661700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.661700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.661700 (E_RNA)
where:
Base-Base interactions energy: -85.539
where: short stacking energy: -38.566
Base-Backbone interact. energy: -0.125
local terms energy: -36.997140
where:
bonds (distance) C4'-P energy: -9.813
bonds (distance) P-C4' energy: -8.793
flat angles C4'-P-C4' energy: -6.255
flat angles P-C4'-P energy: -2.531
tors. eta vs tors. theta energy: -9.605
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: 6
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -70.825372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.825372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.825372 (E_RNA)
where:
Base-Base interactions energy: -37.756
where: short stacking energy: -28.905
Base-Backbone interact. energy: 0.054
local terms energy: -33.123714
where:
bonds (distance) C4'-P energy: -8.497
bonds (distance) P-C4' energy: -9.144
flat angles C4'-P-C4' energy: -7.159
flat angles P-C4'-P energy: -2.570
tors. eta vs tors. theta energy: -5.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -126.106090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.106090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.106090 (E_RNA)
where:
Base-Base interactions energy: -83.270
where: short stacking energy: -38.164
Base-Backbone interact. energy: -0.435
local terms energy: -42.401541
where:
bonds (distance) C4'-P energy: -8.235
bonds (distance) P-C4' energy: -9.085
flat angles C4'-P-C4' energy: -9.410
flat angles P-C4'-P energy: -6.610
tors. eta vs tors. theta energy: -9.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -143.558542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.558542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.558542 (E_RNA)
where:
Base-Base interactions energy: -96.201
where: short stacking energy: -46.366
Base-Backbone interact. energy: -0.420
local terms energy: -46.937581
where:
bonds (distance) C4'-P energy: -10.177
bonds (distance) P-C4' energy: -10.662
flat angles C4'-P-C4' energy: -10.007
flat angles P-C4'-P energy: -4.610
tors. eta vs tors. theta energy: -11.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -143.668923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.668923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.668923 (E_RNA)
where:
Base-Base interactions energy: -96.434
where: short stacking energy: -45.359
Base-Backbone interact. energy: -1.600
local terms energy: -45.634762
where:
bonds (distance) C4'-P energy: -8.392
bonds (distance) P-C4' energy: -11.367
flat angles C4'-P-C4' energy: -9.756
flat angles P-C4'-P energy: -6.439
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: 3, replica: 1
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -140.425892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.425892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.425892 (E_RNA)
where:
Base-Base interactions energy: -94.933
where: short stacking energy: -48.320
Base-Backbone interact. energy: -1.294
local terms energy: -44.198972
where:
bonds (distance) C4'-P energy: -7.566
bonds (distance) P-C4' energy: -10.208
flat angles C4'-P-C4' energy: -9.583
flat angles P-C4'-P energy: -7.311
tors. eta vs tors. theta energy: -9.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -128.508498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.508498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.508498 (E_RNA)
where:
Base-Base interactions energy: -87.050
where: short stacking energy: -41.045
Base-Backbone interact. energy: -0.022
local terms energy: -41.436372
where:
bonds (distance) C4'-P energy: -7.879
bonds (distance) P-C4' energy: -9.377
flat angles C4'-P-C4' energy: -9.249
flat angles P-C4'-P energy: -5.222
tors. eta vs tors. theta energy: -9.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -126.501434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.501434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.501434 (E_RNA)
where:
Base-Base interactions energy: -84.646
where: short stacking energy: -35.263
Base-Backbone interact. energy: -1.157
local terms energy: -40.698571
where:
bonds (distance) C4'-P energy: -8.100
bonds (distance) P-C4' energy: -9.749
flat angles C4'-P-C4' energy: -8.261
flat angles P-C4'-P energy: -5.993
tors. eta vs tors. theta energy: -8.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -134.962355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.962355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.962355 (E_RNA)
where:
Base-Base interactions energy: -95.119
where: short stacking energy: -45.274
Base-Backbone interact. energy: -0.901
local terms energy: -38.941842
where:
bonds (distance) C4'-P energy: -8.555
bonds (distance) P-C4' energy: -7.974
flat angles C4'-P-C4' energy: -9.524
flat angles P-C4'-P energy: -4.933
tors. eta vs tors. theta energy: -7.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -63.929658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.929658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.929658 (E_RNA)
where:
Base-Base interactions energy: -34.341
where: short stacking energy: -27.141
Base-Backbone interact. energy: -0.049
local terms energy: -29.539493
where:
bonds (distance) C4'-P energy: -6.041
bonds (distance) P-C4' energy: -9.209
flat angles C4'-P-C4' energy: -6.655
flat angles P-C4'-P energy: -4.822
tors. eta vs tors. theta energy: -2.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -67.789443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.789443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.789443 (E_RNA)
where:
Base-Base interactions energy: -31.055
where: short stacking energy: -17.855
Base-Backbone interact. energy: -2.240
local terms energy: -34.495065
where:
bonds (distance) C4'-P energy: -9.929
bonds (distance) P-C4' energy: -9.668
flat angles C4'-P-C4' energy: -9.582
flat angles P-C4'-P energy: -3.321
tors. eta vs tors. theta energy: -1.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -126.713434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.713434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.713434 (E_RNA)
where:
Base-Base interactions energy: -89.818
where: short stacking energy: -40.069
Base-Backbone interact. energy: -0.036
local terms energy: -36.859253
where:
bonds (distance) C4'-P energy: -7.185
bonds (distance) P-C4' energy: -9.451
flat angles C4'-P-C4' energy: -8.451
flat angles P-C4'-P energy: -1.911
tors. eta vs tors. theta energy: -9.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -122.335549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.335549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.335549 (E_RNA)
where:
Base-Base interactions energy: -83.602
where: short stacking energy: -36.001
Base-Backbone interact. energy: -1.669
local terms energy: -37.064670
where:
bonds (distance) C4'-P energy: -8.310
bonds (distance) P-C4' energy: -9.122
flat angles C4'-P-C4' energy: -7.895
flat angles P-C4'-P energy: -5.096
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: 1, replica: 9
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -142.514573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.514573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.514573 (E_RNA)
where:
Base-Base interactions energy: -95.711
where: short stacking energy: -44.303
Base-Backbone interact. energy: -0.266
local terms energy: -46.538177
where:
bonds (distance) C4'-P energy: -9.867
bonds (distance) P-C4' energy: -9.767
flat angles C4'-P-C4' energy: -10.813
flat angles P-C4'-P energy: -5.916
tors. eta vs tors. theta energy: -10.175
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: 10
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -141.956358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.956358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.956358 (E_RNA)
where:
Base-Base interactions energy: -93.223
where: short stacking energy: -45.142
Base-Backbone interact. energy: -1.512
local terms energy: -47.221367
where:
bonds (distance) C4'-P energy: -9.350
bonds (distance) P-C4' energy: -10.585
flat angles C4'-P-C4' energy: -9.822
flat angles P-C4'-P energy: -8.899
tors. eta vs tors. theta energy: -8.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -137.822600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.822600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.822600 (E_RNA)
where:
Base-Base interactions energy: -92.007
where: short stacking energy: -43.323
Base-Backbone interact. energy: -0.077
local terms energy: -45.738125
where:
bonds (distance) C4'-P energy: -8.169
bonds (distance) P-C4' energy: -9.435
flat angles C4'-P-C4' energy: -9.292
flat angles P-C4'-P energy: -8.332
tors. eta vs tors. theta energy: -10.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -131.276177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.276177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.276177 (E_RNA)
where:
Base-Base interactions energy: -92.847
where: short stacking energy: -41.783
Base-Backbone interact. energy: -0.033
local terms energy: -38.396116
where:
bonds (distance) C4'-P energy: -7.879
bonds (distance) P-C4' energy: -10.186
flat angles C4'-P-C4' energy: -6.026
flat angles P-C4'-P energy: -6.125
tors. eta vs tors. theta energy: -8.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -129.118614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.118614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.118614 (E_RNA)
where:
Base-Base interactions energy: -87.638
where: short stacking energy: -39.671
Base-Backbone interact. energy: -0.001
local terms energy: -41.479636
where:
bonds (distance) C4'-P energy: -8.622
bonds (distance) P-C4' energy: -8.065
flat angles C4'-P-C4' energy: -10.045
flat angles P-C4'-P energy: -6.244
tors. eta vs tors. theta energy: -8.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -122.828376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.828376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.828376 (E_RNA)
where:
Base-Base interactions energy: -85.024
where: short stacking energy: -33.392
Base-Backbone interact. energy: -0.148
local terms energy: -37.655842
where:
bonds (distance) C4'-P energy: -7.185
bonds (distance) P-C4' energy: -10.426
flat angles C4'-P-C4' energy: -9.797
flat angles P-C4'-P energy: -5.627
tors. eta vs tors. theta energy: -4.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -63.597666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.597666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.597666 (E_RNA)
where:
Base-Base interactions energy: -30.296
where: short stacking energy: -25.659
Base-Backbone interact. energy: 0.924
local terms energy: -34.224964
where:
bonds (distance) C4'-P energy: -7.522
bonds (distance) P-C4' energy: -8.116
flat angles C4'-P-C4' energy: -8.128
flat angles P-C4'-P energy: -7.393
tors. eta vs tors. theta energy: -3.066
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: 3
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -61.463666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.463666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.463666 (E_RNA)
where:
Base-Base interactions energy: -21.311
where: short stacking energy: -21.311
Base-Backbone interact. energy: -0.014
local terms energy: -40.137946
where:
bonds (distance) C4'-P energy: -6.390
bonds (distance) P-C4' energy: -9.536
flat angles C4'-P-C4' energy: -10.145
flat angles P-C4'-P energy: -6.660
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: 9, replica: 4
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -127.950736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.950736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.950736 (E_RNA)
where:
Base-Base interactions energy: -90.110
where: short stacking energy: -39.774
Base-Backbone interact. energy: -0.096
local terms energy: -37.744671
where:
bonds (distance) C4'-P energy: -8.215
bonds (distance) P-C4' energy: -9.603
flat angles C4'-P-C4' energy: -3.352
flat angles P-C4'-P energy: -8.761
tors. eta vs tors. theta energy: -7.814
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: 8
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -124.474741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.474741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.474741 (E_RNA)
where:
Base-Base interactions energy: -85.182
where: short stacking energy: -38.183
Base-Backbone interact. energy: -0.003
local terms energy: -39.289279
where:
bonds (distance) C4'-P energy: -9.511
bonds (distance) P-C4' energy: -6.689
flat angles C4'-P-C4' energy: -6.786
flat angles P-C4'-P energy: -8.050
tors. eta vs tors. theta energy: -8.253
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: 9
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -141.224148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.224148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.224148 (E_RNA)
where:
Base-Base interactions energy: -96.774
where: short stacking energy: -45.836
Base-Backbone interact. energy: -0.007
local terms energy: -44.442876
where:
bonds (distance) C4'-P energy: -8.587
bonds (distance) P-C4' energy: -10.838
flat angles C4'-P-C4' energy: -8.870
flat angles P-C4'-P energy: -5.551
tors. eta vs tors. theta energy: -10.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -137.137322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.137322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.137322 (E_RNA)
where:
Base-Base interactions energy: -94.864
where: short stacking energy: -42.171
Base-Backbone interact. energy: 0.444
local terms energy: -42.717183
where:
bonds (distance) C4'-P energy: -6.617
bonds (distance) P-C4' energy: -10.873
flat angles C4'-P-C4' energy: -9.421
flat angles P-C4'-P energy: -7.800
tors. eta vs tors. theta energy: -8.006
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: 193
Temperature: 1.000000
Total energy: -142.337123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.337123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.337123 (E_RNA)
where:
Base-Base interactions energy: -96.537
where: short stacking energy: -44.683
Base-Backbone interact. energy: -1.469
local terms energy: -44.331893
where:
bonds (distance) C4'-P energy: -8.517
bonds (distance) P-C4' energy: -9.144
flat angles C4'-P-C4' energy: -7.877
flat angles P-C4'-P energy: -7.661
tors. eta vs tors. theta energy: -11.132
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: 2
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -138.586895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.586895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.586895 (E_RNA)
where:
Base-Base interactions energy: -95.286
where: short stacking energy: -46.019
Base-Backbone interact. energy: -0.713
local terms energy: -42.587783
where:
bonds (distance) C4'-P energy: -9.080
bonds (distance) P-C4' energy: -7.323
flat angles C4'-P-C4' energy: -7.741
flat angles P-C4'-P energy: -7.442
tors. eta vs tors. theta energy: -11.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -130.072192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.072192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.072192 (E_RNA)
where:
Base-Base interactions energy: -89.862
where: short stacking energy: -42.549
Base-Backbone interact. energy: -0.490
local terms energy: -39.719597
where:
bonds (distance) C4'-P energy: -5.934
bonds (distance) P-C4' energy: -7.184
flat angles C4'-P-C4' energy: -9.015
flat angles P-C4'-P energy: -8.137
tors. eta vs tors. theta energy: -9.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -136.533536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.533536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.533536 (E_RNA)
where:
Base-Base interactions energy: -98.316
where: short stacking energy: -40.825
Base-Backbone interact. energy: 0.197
local terms energy: -38.413760
where:
bonds (distance) C4'-P energy: -8.794
bonds (distance) P-C4' energy: -10.898
flat angles C4'-P-C4' energy: -6.219
flat angles P-C4'-P energy: -5.382
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: 7, replica: 6
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -68.783483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.783483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.783483 (E_RNA)
where:
Base-Base interactions energy: -29.377
where: short stacking energy: -29.377
Base-Backbone interact. energy: -0.017
local terms energy: -39.389555
where:
bonds (distance) C4'-P energy: -7.574
bonds (distance) P-C4' energy: -8.136
flat angles C4'-P-C4' energy: -8.035
flat angles P-C4'-P energy: -5.898
tors. eta vs tors. theta energy: -9.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -126.610055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.610055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.610055 (E_RNA)
where:
Base-Base interactions energy: -88.418
where: short stacking energy: -39.268
Base-Backbone interact. energy: -0.046
local terms energy: -38.145457
where:
bonds (distance) C4'-P energy: -8.328
bonds (distance) P-C4' energy: -6.935
flat angles C4'-P-C4' energy: -10.480
flat angles P-C4'-P energy: -5.575
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: 9, replica: 3
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -64.550578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.550578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.550578 (E_RNA)
where:
Base-Base interactions energy: -31.695
where: short stacking energy: -31.695
Base-Backbone interact. energy: -0.514
local terms energy: -32.342114
where:
bonds (distance) C4'-P energy: -6.457
bonds (distance) P-C4' energy: -8.401
flat angles C4'-P-C4' energy: -8.104
flat angles P-C4'-P energy: -5.428
tors. eta vs tors. theta energy: -3.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -120.837546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.837546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.837546 (E_RNA)
where:
Base-Base interactions energy: -88.549
where: short stacking energy: -35.952
Base-Backbone interact. energy: -0.081
local terms energy: -32.207116
where:
bonds (distance) C4'-P energy: -8.944
bonds (distance) P-C4' energy: -9.653
flat angles C4'-P-C4' energy: -7.539
flat angles P-C4'-P energy: 1.333
tors. eta vs tors. theta energy: -7.405
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: 10
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -140.674412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.674412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.674412 (E_RNA)
where:
Base-Base interactions energy: -96.273
where: short stacking energy: -45.727
Base-Backbone interact. energy: -0.001
local terms energy: -44.400829
where:
bonds (distance) C4'-P energy: -9.573
bonds (distance) P-C4' energy: -10.098
flat angles C4'-P-C4' energy: -9.857
flat angles P-C4'-P energy: -5.885
tors. eta vs tors. theta energy: -8.988
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: 2, replica: 9
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -140.348756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.348756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.348756 (E_RNA)
where:
Base-Base interactions energy: -93.401
where: short stacking energy: -43.048
Base-Backbone interact. energy: -1.632
local terms energy: -45.316054
where:
bonds (distance) C4'-P energy: -8.666
bonds (distance) P-C4' energy: -8.823
flat angles C4'-P-C4' energy: -10.244
flat angles P-C4'-P energy: -8.588
tors. eta vs tors. theta energy: -8.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -138.867790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.867790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.867790 (E_RNA)
where:
Base-Base interactions energy: -92.706
where: short stacking energy: -40.821
Base-Backbone interact. energy: -2.107
local terms energy: -44.055255
where:
bonds (distance) C4'-P energy: -8.355
bonds (distance) P-C4' energy: -9.797
flat angles C4'-P-C4' energy: -8.911
flat angles P-C4'-P energy: -8.270
tors. eta vs tors. theta energy: -8.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -140.856755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.856755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.856755 (E_RNA)
where:
Base-Base interactions energy: -97.006
where: short stacking energy: -44.946
Base-Backbone interact. energy: -1.255
local terms energy: -42.596583
where:
bonds (distance) C4'-P energy: -6.339
bonds (distance) P-C4' energy: -11.346
flat angles C4'-P-C4' energy: -9.825
flat angles P-C4'-P energy: -6.160
tors. eta vs tors. theta energy: -8.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -131.302769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.302769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.302769 (E_RNA)
where:
Base-Base interactions energy: -90.309
where: short stacking energy: -43.387
Base-Backbone interact. energy: -1.336
local terms energy: -39.657484
where:
bonds (distance) C4'-P energy: -9.565
bonds (distance) P-C4' energy: -8.362
flat angles C4'-P-C4' energy: -6.498
flat angles P-C4'-P energy: -6.876
tors. eta vs tors. theta energy: -8.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -127.766708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.766708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.766708 (E_RNA)
where:
Base-Base interactions energy: -92.151
where: short stacking energy: -47.192
Base-Backbone interact. energy: -0.130
local terms energy: -35.485897
where:
bonds (distance) C4'-P energy: -5.222
bonds (distance) P-C4' energy: -7.871
flat angles C4'-P-C4' energy: -8.943
flat angles P-C4'-P energy: -6.110
tors. eta vs tors. theta energy: -7.340
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: 4
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -130.053398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.053398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.053398 (E_RNA)
where:
Base-Base interactions energy: -88.981
where: short stacking energy: -40.995
Base-Backbone interact. energy: -0.007
local terms energy: -41.065363
where:
bonds (distance) C4'-P energy: -8.185
bonds (distance) P-C4' energy: -10.426
flat angles C4'-P-C4' energy: -6.609
flat angles P-C4'-P energy: -5.893
tors. eta vs tors. theta energy: -9.952
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: 8, replica: 6
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -69.170404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.170404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.170404 (E_RNA)
where:
Base-Base interactions energy: -36.230
where: short stacking energy: -28.350
Base-Backbone interact. energy: -0.063
local terms energy: -32.877772
where:
bonds (distance) C4'-P energy: -9.805
bonds (distance) P-C4' energy: -7.749
flat angles C4'-P-C4' energy: -8.204
flat angles P-C4'-P energy: -4.612
tors. eta vs tors. theta energy: -2.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -124.046454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.046454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.046454 (E_RNA)
where:
Base-Base interactions energy: -88.593
where: short stacking energy: -38.395
Base-Backbone interact. energy: -0.615
local terms energy: -34.838447
where:
bonds (distance) C4'-P energy: -5.933
bonds (distance) P-C4' energy: -6.917
flat angles C4'-P-C4' energy: -8.701
flat angles P-C4'-P energy: -5.953
tors. eta vs tors. theta energy: -7.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -57.212931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.212931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.212931 (E_RNA)
where:
Base-Base interactions energy: -22.394
where: short stacking energy: -22.394
Base-Backbone interact. energy: -0.030
local terms energy: -34.788561
where:
bonds (distance) C4'-P energy: -10.301
bonds (distance) P-C4' energy: -9.936
flat angles C4'-P-C4' energy: -7.198
flat angles P-C4'-P energy: -1.439
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: 1, replica: 10
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -141.727120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.727120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.727120 (E_RNA)
where:
Base-Base interactions energy: -94.160
where: short stacking energy: -44.077
Base-Backbone interact. energy: -0.669
local terms energy: -46.898331
where:
bonds (distance) C4'-P energy: -8.285
bonds (distance) P-C4' energy: -10.637
flat angles C4'-P-C4' energy: -10.338
flat angles P-C4'-P energy: -8.383
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: 2, replica: 1
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -138.286972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.286972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.286972 (E_RNA)
where:
Base-Base interactions energy: -90.195
where: short stacking energy: -40.426
Base-Backbone interact. energy: -0.735
local terms energy: -47.357694
where:
bonds (distance) C4'-P energy: -8.500
bonds (distance) P-C4' energy: -10.647
flat angles C4'-P-C4' energy: -10.387
flat angles P-C4'-P energy: -7.772
tors. eta vs tors. theta energy: -10.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -136.956541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.956541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.956541 (E_RNA)
where:
Base-Base interactions energy: -91.872
where: short stacking energy: -38.203
Base-Backbone interact. energy: -0.464
local terms energy: -44.620537
where:
bonds (distance) C4'-P energy: -9.407
bonds (distance) P-C4' energy: -10.299
flat angles C4'-P-C4' energy: -8.501
flat angles P-C4'-P energy: -7.091
tors. eta vs tors. theta energy: -9.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -130.396900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.396900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.396900 (E_RNA)
where:
Base-Base interactions energy: -95.635
where: short stacking energy: -40.940
Base-Backbone interact. energy: -0.007
local terms energy: -34.754443
where:
bonds (distance) C4'-P energy: -4.899
bonds (distance) P-C4' energy: -10.211
flat angles C4'-P-C4' energy: -7.562
flat angles P-C4'-P energy: -5.111
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: 5, replica: 5
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -132.656683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.656683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.656683 (E_RNA)
where:
Base-Base interactions energy: -89.122
where: short stacking energy: -36.533
Base-Backbone interact. energy: -0.045
local terms energy: -43.490016
where:
bonds (distance) C4'-P energy: -9.751
bonds (distance) P-C4' energy: -10.817
flat angles C4'-P-C4' energy: -9.110
flat angles P-C4'-P energy: -4.073
tors. eta vs tors. theta energy: -9.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -137.026953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.026953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.026953 (E_RNA)
where:
Base-Base interactions energy: -93.319
where: short stacking energy: -44.754
Base-Backbone interact. energy: -1.652
local terms energy: -42.055712
where:
bonds (distance) C4'-P energy: -6.626
bonds (distance) P-C4' energy: -8.630
flat angles C4'-P-C4' energy: -9.200
flat angles P-C4'-P energy: -7.224
tors. eta vs tors. theta energy: -10.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -129.378291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.378291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.378291 (E_RNA)
where:
Base-Base interactions energy: -87.418
where: short stacking energy: -38.955
Base-Backbone interact. energy: -0.513
local terms energy: -41.447277
where:
bonds (distance) C4'-P energy: -9.581
bonds (distance) P-C4' energy: -8.798
flat angles C4'-P-C4' energy: -8.407
flat angles P-C4'-P energy: -7.916
tors. eta vs tors. theta energy: -6.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -128.667017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.667017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.667017 (E_RNA)
where:
Base-Base interactions energy: -87.541
where: short stacking energy: -40.392
Base-Backbone interact. energy: -0.012
local terms energy: -41.114492
where:
bonds (distance) C4'-P energy: -9.096
bonds (distance) P-C4' energy: -11.371
flat angles C4'-P-C4' energy: -6.418
flat angles P-C4'-P energy: -5.840
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: 9, replica: 6
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -58.279958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.279958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.279958 (E_RNA)
where:
Base-Base interactions energy: -30.515
where: short stacking energy: -28.391
Base-Backbone interact. energy: 1.561
local terms energy: -29.325940
where:
bonds (distance) C4'-P energy: -9.064
bonds (distance) P-C4' energy: -8.678
flat angles C4'-P-C4' energy: -5.879
flat angles P-C4'-P energy: -2.328
tors. eta vs tors. theta energy: -3.377
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: 10, replica: 3
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -67.690934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.690934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.690934 (E_RNA)
where:
Base-Base interactions energy: -39.159
where: short stacking energy: -32.128
Base-Backbone interact. energy: -0.006
local terms energy: -28.525290
where:
bonds (distance) C4'-P energy: -7.035
bonds (distance) P-C4' energy: -10.383
flat angles C4'-P-C4' energy: -7.453
flat angles P-C4'-P energy: -0.890
tors. eta vs tors. theta energy: -2.764
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: 1
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -141.139211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.139211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.139211 (E_RNA)
where:
Base-Base interactions energy: -93.486
where: short stacking energy: -45.307
Base-Backbone interact. energy: -1.198
local terms energy: -46.455113
where:
bonds (distance) C4'-P energy: -9.466
bonds (distance) P-C4' energy: -10.880
flat angles C4'-P-C4' energy: -10.054
flat angles P-C4'-P energy: -7.719
tors. eta vs tors. theta energy: -8.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -141.317042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.317042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.317042 (E_RNA)
where:
Base-Base interactions energy: -96.327
where: short stacking energy: -42.803
Base-Backbone interact. energy: -1.040
local terms energy: -43.950410
where:
bonds (distance) C4'-P energy: -9.291
bonds (distance) P-C4' energy: -11.099
flat angles C4'-P-C4' energy: -7.081
flat angles P-C4'-P energy: -7.009
tors. eta vs tors. theta energy: -9.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -132.659885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.659885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.659885 (E_RNA)
where:
Base-Base interactions energy: -87.667
where: short stacking energy: -40.002
Base-Backbone interact. energy: -0.001
local terms energy: -44.992381
where:
bonds (distance) C4'-P energy: -9.353
bonds (distance) P-C4' energy: -8.929
flat angles C4'-P-C4' energy: -9.630
flat angles P-C4'-P energy: -8.144
tors. eta vs tors. theta energy: -8.936
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: 9
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -138.350318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.350318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.350318 (E_RNA)
where:
Base-Base interactions energy: -92.604
where: short stacking energy: -40.696
Base-Backbone interact. energy: -2.104
local terms energy: -43.642048
where:
bonds (distance) C4'-P energy: -8.003
bonds (distance) P-C4' energy: -7.784
flat angles C4'-P-C4' energy: -9.581
flat angles P-C4'-P energy: -8.447
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: 5, replica: 7
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -128.973065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.973065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.973065 (E_RNA)
where:
Base-Base interactions energy: -88.866
where: short stacking energy: -40.029
Base-Backbone interact. energy: -0.513
local terms energy: -39.594303
where:
bonds (distance) C4'-P energy: -5.126
bonds (distance) P-C4' energy: -10.186
flat angles C4'-P-C4' energy: -6.850
flat angles P-C4'-P energy: -8.579
tors. eta vs tors. theta energy: -8.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -134.368385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.368385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.368385 (E_RNA)
where:
Base-Base interactions energy: -94.156
where: short stacking energy: -43.635
Base-Backbone interact. energy: -0.631
local terms energy: -39.581593
where:
bonds (distance) C4'-P energy: -4.833
bonds (distance) P-C4' energy: -8.852
flat angles C4'-P-C4' energy: -9.912
flat angles P-C4'-P energy: -6.847
tors. eta vs tors. theta energy: -9.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -131.126258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.126258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.126258 (E_RNA)
where:
Base-Base interactions energy: -84.008
where: short stacking energy: -39.083
Base-Backbone interact. energy: -0.723
local terms energy: -46.395749
where:
bonds (distance) C4'-P energy: -9.573
bonds (distance) P-C4' energy: -10.670
flat angles C4'-P-C4' energy: -9.512
flat angles P-C4'-P energy: -6.374
tors. eta vs tors. theta energy: -10.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -113.415110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.415110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.415110 (E_RNA)
where:
Base-Base interactions energy: -74.602
where: short stacking energy: -29.829
Base-Backbone interact. energy: -0.433
local terms energy: -38.379970
where:
bonds (distance) C4'-P energy: -10.570
bonds (distance) P-C4' energy: -8.690
flat angles C4'-P-C4' energy: -8.565
flat angles P-C4'-P energy: -5.564
tors. eta vs tors. theta energy: -4.991
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: 9, replica: 3
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -61.200669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.200669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.200669 (E_RNA)
where:
Base-Base interactions energy: -27.446
where: short stacking energy: -20.010
Base-Backbone interact. energy: -0.115
local terms energy: -33.640027
where:
bonds (distance) C4'-P energy: -8.252
bonds (distance) P-C4' energy: -9.606
flat angles C4'-P-C4' energy: -8.015
flat angles P-C4'-P energy: -6.935
tors. eta vs tors. theta energy: -0.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -64.061770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.061770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.061770 (E_RNA)
where:
Base-Base interactions energy: -28.060
where: short stacking energy: -28.060
Base-Backbone interact. energy: -0.003
local terms energy: -35.999245
where:
bonds (distance) C4'-P energy: -9.386
bonds (distance) P-C4' energy: -9.742
flat angles C4'-P-C4' energy: -3.958
flat angles P-C4'-P energy: -7.631
tors. eta vs tors. theta energy: -5.282
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: 1
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -143.453134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.453134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.453134 (E_RNA)
where:
Base-Base interactions energy: -95.778
where: short stacking energy: -44.522
Base-Backbone interact. energy: -1.623
local terms energy: -46.052357
where:
bonds (distance) C4'-P energy: -8.782
bonds (distance) P-C4' energy: -11.092
flat angles C4'-P-C4' energy: -9.012
flat angles P-C4'-P energy: -8.401
tors. eta vs tors. theta energy: -8.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -137.437776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.437776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.437776 (E_RNA)
where:
Base-Base interactions energy: -96.074
where: short stacking energy: -41.212
Base-Backbone interact. energy: -0.691
local terms energy: -40.672462
where:
bonds (distance) C4'-P energy: -8.153
bonds (distance) P-C4' energy: -9.048
flat angles C4'-P-C4' energy: -10.244
flat angles P-C4'-P energy: -3.076
tors. eta vs tors. theta energy: -10.152
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: 10
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -139.222060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.222060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.222060 (E_RNA)
where:
Base-Base interactions energy: -94.491
where: short stacking energy: -44.100
Base-Backbone interact. energy: -1.261
local terms energy: -43.469892
where:
bonds (distance) C4'-P energy: -7.932
bonds (distance) P-C4' energy: -9.696
flat angles C4'-P-C4' energy: -10.126
flat angles P-C4'-P energy: -5.007
tors. eta vs tors. theta energy: -10.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -139.807646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.807646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.807646 (E_RNA)
where:
Base-Base interactions energy: -94.327
where: short stacking energy: -46.120
Base-Backbone interact. energy: 0.024
local terms energy: -45.504185
where:
bonds (distance) C4'-P energy: -8.898
bonds (distance) P-C4' energy: -10.622
flat angles C4'-P-C4' energy: -9.557
flat angles P-C4'-P energy: -7.467
tors. eta vs tors. theta energy: -8.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -136.111690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.111690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.111690 (E_RNA)
where:
Base-Base interactions energy: -91.148
where: short stacking energy: -40.473
Base-Backbone interact. energy: -1.037
local terms energy: -43.927009
where:
bonds (distance) C4'-P energy: -8.790
bonds (distance) P-C4' energy: -10.180
flat angles C4'-P-C4' energy: -6.445
flat angles P-C4'-P energy: -8.705
tors. eta vs tors. theta energy: -9.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -135.665867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.665867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.665867 (E_RNA)
where:
Base-Base interactions energy: -97.652
where: short stacking energy: -45.818
Base-Backbone interact. energy: -0.136
local terms energy: -37.878294
where:
bonds (distance) C4'-P energy: -5.934
bonds (distance) P-C4' energy: -8.258
flat angles C4'-P-C4' energy: -6.735
flat angles P-C4'-P energy: -6.219
tors. eta vs tors. theta energy: -10.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -125.719400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.719400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.719400 (E_RNA)
where:
Base-Base interactions energy: -88.977
where: short stacking energy: -39.069
Base-Backbone interact. energy: -1.814
local terms energy: -34.928667
where:
bonds (distance) C4'-P energy: -5.211
bonds (distance) P-C4' energy: -8.604
flat angles C4'-P-C4' energy: -6.102
flat angles P-C4'-P energy: -5.006
tors. eta vs tors. theta energy: -10.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -133.453300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.453300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.453300 (E_RNA)
where:
Base-Base interactions energy: -90.062
where: short stacking energy: -42.962
Base-Backbone interact. energy: -0.927
local terms energy: -42.464249
where:
bonds (distance) C4'-P energy: -7.959
bonds (distance) P-C4' energy: -10.186
flat angles C4'-P-C4' energy: -9.504
flat angles P-C4'-P energy: -5.405
tors. eta vs tors. theta energy: -9.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -67.965560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.965560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.965560 (E_RNA)
where:
Base-Base interactions energy: -31.605
where: short stacking energy: -31.605
Base-Backbone interact. energy: -0.018
local terms energy: -36.342653
where:
bonds (distance) C4'-P energy: -8.571
bonds (distance) P-C4' energy: -8.895
flat angles C4'-P-C4' energy: -9.043
flat angles P-C4'-P energy: -3.720
tors. eta vs tors. theta energy: -6.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -53.384395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.384395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.384395 (E_RNA)
where:
Base-Base interactions energy: -24.668
where: short stacking energy: -24.668
Base-Backbone interact. energy: -0.031
local terms energy: -28.685273
where:
bonds (distance) C4'-P energy: -8.261
bonds (distance) P-C4' energy: -8.672
flat angles C4'-P-C4' energy: -2.584
flat angles P-C4'-P energy: -5.962
tors. eta vs tors. theta energy: -3.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -145.542950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.542950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.542950 (E_RNA)
where:
Base-Base interactions energy: -96.382
where: short stacking energy: -44.300
Base-Backbone interact. energy: -1.974
local terms energy: -47.187072
where:
bonds (distance) C4'-P energy: -9.510
bonds (distance) P-C4' energy: -8.880
flat angles C4'-P-C4' energy: -9.936
flat angles P-C4'-P energy: -8.078
tors. eta vs tors. theta energy: -10.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -140.753219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.753219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.753219 (E_RNA)
where:
Base-Base interactions energy: -97.314
where: short stacking energy: -40.590
Base-Backbone interact. energy: -0.593
local terms energy: -42.845560
where:
bonds (distance) C4'-P energy: -9.714
bonds (distance) P-C4' energy: -8.889
flat angles C4'-P-C4' energy: -9.788
flat angles P-C4'-P energy: -4.406
tors. eta vs tors. theta energy: -10.049
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: 10
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -137.414653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.414653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.414653 (E_RNA)
where:
Base-Base interactions energy: -92.775
where: short stacking energy: -42.546
Base-Backbone interact. energy: -0.388
local terms energy: -44.250989
where:
bonds (distance) C4'-P energy: -9.022
bonds (distance) P-C4' energy: -10.190
flat angles C4'-P-C4' energy: -9.369
flat angles P-C4'-P energy: -6.148
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: 4, replica: 7
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -142.250573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.250573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.250573 (E_RNA)
where:
Base-Base interactions energy: -101.349
where: short stacking energy: -40.601
Base-Backbone interact. energy: -0.009
local terms energy: -40.892461
where:
bonds (distance) C4'-P energy: -9.271
bonds (distance) P-C4' energy: -10.045
flat angles C4'-P-C4' energy: -7.481
flat angles P-C4'-P energy: -4.813
tors. eta vs tors. theta energy: -9.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -134.738677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.738677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.738677 (E_RNA)
where:
Base-Base interactions energy: -87.498
where: short stacking energy: -38.871
Base-Backbone interact. energy: -0.923
local terms energy: -46.317449
where:
bonds (distance) C4'-P energy: -9.121
bonds (distance) P-C4' energy: -11.124
flat angles C4'-P-C4' energy: -8.842
flat angles P-C4'-P energy: -7.291
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: 6, replica: 9
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -136.768844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.768844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.768844 (E_RNA)
where:
Base-Base interactions energy: -92.365
where: short stacking energy: -44.912
Base-Backbone interact. energy: -0.002
local terms energy: -44.401340
where:
bonds (distance) C4'-P energy: -10.268
bonds (distance) P-C4' energy: -11.371
flat angles C4'-P-C4' energy: -9.174
flat angles P-C4'-P energy: -4.822
tors. eta vs tors. theta energy: -8.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -132.542696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.542696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.542696 (E_RNA)
where:
Base-Base interactions energy: -91.390
where: short stacking energy: -43.361
Base-Backbone interact. energy: -1.052
local terms energy: -40.101290
where:
bonds (distance) C4'-P energy: -8.909
bonds (distance) P-C4' energy: -7.218
flat angles C4'-P-C4' energy: -7.897
flat angles P-C4'-P energy: -6.253
tors. eta vs tors. theta energy: -9.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -123.650681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.650681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.650681 (E_RNA)
where:
Base-Base interactions energy: -86.861
where: short stacking energy: -42.784
Base-Backbone interact. energy: -1.079
local terms energy: -35.711056
where:
bonds (distance) C4'-P energy: -3.859
bonds (distance) P-C4' energy: -7.819
flat angles C4'-P-C4' energy: -8.620
flat angles P-C4'-P energy: -6.806
tors. eta vs tors. theta energy: -8.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -62.849812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.849812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.849812 (E_RNA)
where:
Base-Base interactions energy: -23.016
where: short stacking energy: -23.016
Base-Backbone interact. energy: -0.001
local terms energy: -39.833188
where:
bonds (distance) C4'-P energy: -8.810
bonds (distance) P-C4' energy: -8.755
flat angles C4'-P-C4' energy: -10.024
flat angles P-C4'-P energy: -6.730
tors. eta vs tors. theta energy: -5.515
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: 10, replica: 3
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -64.653386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.653386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.653386 (E_RNA)
where:
Base-Base interactions energy: -32.254
where: short stacking energy: -32.254
Base-Backbone interact. energy: -0.000
local terms energy: -32.399170
where:
bonds (distance) C4'-P energy: -5.955
bonds (distance) P-C4' energy: -8.790
flat angles C4'-P-C4' energy: -4.576
flat angles P-C4'-P energy: -6.532
tors. eta vs tors. theta energy: -6.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -140.907661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.907661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.907661 (E_RNA)
where:
Base-Base interactions energy: -96.611
where: short stacking energy: -46.760
Base-Backbone interact. energy: 0.024
local terms energy: -44.321025
where:
bonds (distance) C4'-P energy: -10.277
bonds (distance) P-C4' energy: -8.862
flat angles C4'-P-C4' energy: -9.834
flat angles P-C4'-P energy: -5.559
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: 2, replica: 1
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -143.513939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.513939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.513939 (E_RNA)
where:
Base-Base interactions energy: -93.870
where: short stacking energy: -44.876
Base-Backbone interact. energy: -1.373
local terms energy: -48.271137
where:
bonds (distance) C4'-P energy: -9.014
bonds (distance) P-C4' energy: -11.367
flat angles C4'-P-C4' energy: -10.412
flat angles P-C4'-P energy: -7.385
tors. eta vs tors. theta energy: -10.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -150.990136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.990136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.990136 (E_RNA)
where:
Base-Base interactions energy: -114.853
where: short stacking energy: -46.192
Base-Backbone interact. energy: -0.005
local terms energy: -36.131740
where:
bonds (distance) C4'-P energy: -5.276
bonds (distance) P-C4' energy: -11.131
flat angles C4'-P-C4' energy: -8.058
flat angles P-C4'-P energy: -0.270
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: 4, replica: 8
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -131.906910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.906910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.906910 (E_RNA)
where:
Base-Base interactions energy: -91.071
where: short stacking energy: -39.189
Base-Backbone interact. energy: -0.072
local terms energy: -40.763987
where:
bonds (distance) C4'-P energy: -10.003
bonds (distance) P-C4' energy: -5.493
flat angles C4'-P-C4' energy: -10.414
flat angles P-C4'-P energy: -5.895
tors. eta vs tors. theta energy: -8.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -133.217662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.217662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.217662 (E_RNA)
where:
Base-Base interactions energy: -91.051
where: short stacking energy: -38.571
Base-Backbone interact. energy: -0.312
local terms energy: -41.854368
where:
bonds (distance) C4'-P energy: -8.666
bonds (distance) P-C4' energy: -9.757
flat angles C4'-P-C4' energy: -8.569
flat angles P-C4'-P energy: -6.035
tors. eta vs tors. theta energy: -8.827
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: 4
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -134.529118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.529118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.529118 (E_RNA)
where:
Base-Base interactions energy: -93.307
where: short stacking energy: -45.007
Base-Backbone interact. energy: -0.241
local terms energy: -40.980511
where:
bonds (distance) C4'-P energy: -6.405
bonds (distance) P-C4' energy: -10.116
flat angles C4'-P-C4' energy: -9.743
flat angles P-C4'-P energy: -5.308
tors. eta vs tors. theta energy: -9.409
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: 7, replica: 9
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -129.924874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.924874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.924874 (E_RNA)
where:
Base-Base interactions energy: -92.275
where: short stacking energy: -43.310
Base-Backbone interact. energy: -0.011
local terms energy: -37.638850
where:
bonds (distance) C4'-P energy: -2.513
bonds (distance) P-C4' energy: -10.830
flat angles C4'-P-C4' energy: -10.094
flat angles P-C4'-P energy: -6.501
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: 8, replica: 5
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -125.978955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.978955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.978955 (E_RNA)
where:
Base-Base interactions energy: -86.954
where: short stacking energy: -42.733
Base-Backbone interact. energy: -1.548
local terms energy: -37.477192
where:
bonds (distance) C4'-P energy: -5.028
bonds (distance) P-C4' energy: -8.396
flat angles C4'-P-C4' energy: -8.432
flat angles P-C4'-P energy: -6.271
tors. eta vs tors. theta energy: -9.351
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: 9, replica: 6
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -61.287104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.287104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.287104 (E_RNA)
where:
Base-Base interactions energy: -30.344
where: short stacking energy: -30.344
Base-Backbone interact. energy: -0.100
local terms energy: -30.842367
where:
bonds (distance) C4'-P energy: -6.219
bonds (distance) P-C4' energy: -10.665
flat angles C4'-P-C4' energy: -5.662
flat angles P-C4'-P energy: -3.928
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: 10, replica: 3
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -59.839469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.839469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.839469 (E_RNA)
where:
Base-Base interactions energy: -26.614
where: short stacking energy: -23.502
Base-Backbone interact. energy: -0.068
local terms energy: -33.157822
where:
bonds (distance) C4'-P energy: -4.550
bonds (distance) P-C4' energy: -10.423
flat angles C4'-P-C4' energy: -9.823
flat angles P-C4'-P energy: -4.640
tors. eta vs tors. theta energy: -3.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -136.144658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.144658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.144658 (E_RNA)
where:
Base-Base interactions energy: -96.774
where: short stacking energy: -45.261
Base-Backbone interact. energy: -0.280
local terms energy: -39.089825
where:
bonds (distance) C4'-P energy: -10.135
bonds (distance) P-C4' energy: -9.960
flat angles C4'-P-C4' energy: -7.416
flat angles P-C4'-P energy: -4.128
tors. eta vs tors. theta energy: -7.450
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: 1
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -135.515899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.515899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.515899 (E_RNA)
where:
Base-Base interactions energy: -94.186
where: short stacking energy: -43.970
Base-Backbone interact. energy: -0.012
local terms energy: -41.318328
where:
bonds (distance) C4'-P energy: -9.743
bonds (distance) P-C4' energy: -8.598
flat angles C4'-P-C4' energy: -8.122
flat angles P-C4'-P energy: -6.911
tors. eta vs tors. theta energy: -7.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -141.656818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.656818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.656818 (E_RNA)
where:
Base-Base interactions energy: -96.252
where: short stacking energy: -44.809
Base-Backbone interact. energy: 0.272
local terms energy: -45.677637
where:
bonds (distance) C4'-P energy: -9.929
bonds (distance) P-C4' energy: -8.763
flat angles C4'-P-C4' energy: -8.911
flat angles P-C4'-P energy: -8.356
tors. eta vs tors. theta energy: -9.718
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: 200
Temperature: 1.050000
Total energy: -144.361268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.361268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.361268 (E_RNA)
where:
Base-Base interactions energy: -113.984
where: short stacking energy: -42.038
Base-Backbone interact. energy: -0.043
local terms energy: -30.333824
where:
bonds (distance) C4'-P energy: -3.815
bonds (distance) P-C4' energy: -8.929
flat angles C4'-P-C4' energy: -10.898
flat angles P-C4'-P energy: 1.746
tors. eta vs tors. theta energy: -8.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -142.518563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.518563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.518563 (E_RNA)
where:
Base-Base interactions energy: -103.870
where: short stacking energy: -44.754
Base-Backbone interact. energy: -0.049
local terms energy: -38.600346
where:
bonds (distance) C4'-P energy: -9.743
bonds (distance) P-C4' energy: -8.468
flat angles C4'-P-C4' energy: -7.894
flat angles P-C4'-P energy: -2.466
tors. eta vs tors. theta energy: -10.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -132.273274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.273274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.273274 (E_RNA)
where:
Base-Base interactions energy: -95.381
where: short stacking energy: -45.188
Base-Backbone interact. energy: -0.321
local terms energy: -36.571234
where:
bonds (distance) C4'-P energy: -5.583
bonds (distance) P-C4' energy: -7.128
flat angles C4'-P-C4' energy: -8.518
flat angles P-C4'-P energy: -6.249
tors. eta vs tors. theta energy: -9.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -132.348360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.348360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.348360 (E_RNA)
where:
Base-Base interactions energy: -90.972
where: short stacking energy: -44.101
Base-Backbone interact. energy: -0.001
local terms energy: -41.374833
where:
bonds (distance) C4'-P energy: -6.943
bonds (distance) P-C4' energy: -9.398
flat angles C4'-P-C4' energy: -8.424
flat angles P-C4'-P energy: -6.084
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: 8, replica: 9
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -121.219821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.219821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.219821 (E_RNA)
where:
Base-Base interactions energy: -85.740
where: short stacking energy: -35.923
Base-Backbone interact. energy: 1.590
local terms energy: -37.070159
where:
bonds (distance) C4'-P energy: -9.353
bonds (distance) P-C4' energy: -11.099
flat angles C4'-P-C4' energy: -6.228
flat angles P-C4'-P energy: -4.199
tors. eta vs tors. theta energy: -6.190
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: 3
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -62.574306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.574306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.574306 (E_RNA)
where:
Base-Base interactions energy: -28.912
where: short stacking energy: -28.912
Base-Backbone interact. energy: -0.092
local terms energy: -33.569951
where:
bonds (distance) C4'-P energy: -10.756
bonds (distance) P-C4' energy: -10.049
flat angles C4'-P-C4' energy: -4.849
flat angles P-C4'-P energy: -3.928
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: 10, replica: 6
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -65.038942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.038942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.038942 (E_RNA)
where:
Base-Base interactions energy: -30.023
where: short stacking energy: -30.023
Base-Backbone interact. energy: -0.000
local terms energy: -35.016040
where:
bonds (distance) C4'-P energy: -7.126
bonds (distance) P-C4' energy: -8.279
flat angles C4'-P-C4' energy: -8.017
flat angles P-C4'-P energy: -5.303
tors. eta vs tors. theta energy: -6.291
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: 2
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -150.728711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.728711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.728711 (E_RNA)
where:
Base-Base interactions energy: -113.351
where: short stacking energy: -40.931
Base-Backbone interact. energy: -0.042
local terms energy: -37.335294
where:
bonds (distance) C4'-P energy: -7.739
bonds (distance) P-C4' energy: -9.780
flat angles C4'-P-C4' energy: -8.273
flat angles P-C4'-P energy: -1.005
tors. eta vs tors. theta energy: -10.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -141.892159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.892159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.892159 (E_RNA)
where:
Base-Base interactions energy: -95.900
where: short stacking energy: -39.942
Base-Backbone interact. energy: -0.687
local terms energy: -45.304941
where:
bonds (distance) C4'-P energy: -9.361
bonds (distance) P-C4' energy: -10.891
flat angles C4'-P-C4' energy: -9.890
flat angles P-C4'-P energy: -6.618
tors. eta vs tors. theta energy: -8.544
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: 1
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -139.216982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.216982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.216982 (E_RNA)
where:
Base-Base interactions energy: -96.982
where: short stacking energy: -45.925
Base-Backbone interact. energy: -0.989
local terms energy: -41.246187
where:
bonds (distance) C4'-P energy: -7.131
bonds (distance) P-C4' energy: -9.736
flat angles C4'-P-C4' energy: -7.389
flat angles P-C4'-P energy: -6.470
tors. eta vs tors. theta energy: -10.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -136.237015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.237015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.237015 (E_RNA)
where:
Base-Base interactions energy: -90.251
where: short stacking energy: -41.874
Base-Backbone interact. energy: -0.193
local terms energy: -45.793749
where:
bonds (distance) C4'-P energy: -9.407
bonds (distance) P-C4' energy: -9.588
flat angles C4'-P-C4' energy: -9.826
flat angles P-C4'-P energy: -6.746
tors. eta vs tors. theta energy: -10.227
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: 10
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -133.011716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.011716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.011716 (E_RNA)
where:
Base-Base interactions energy: -94.537
where: short stacking energy: -38.263
Base-Backbone interact. energy: -0.048
local terms energy: -38.426722
where:
bonds (distance) C4'-P energy: -6.274
bonds (distance) P-C4' energy: -10.852
flat angles C4'-P-C4' energy: -9.305
flat angles P-C4'-P energy: -3.690
tors. eta vs tors. theta energy: -8.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -126.236050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.236050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.236050 (E_RNA)
where:
Base-Base interactions energy: -88.920
where: short stacking energy: -43.493
Base-Backbone interact. energy: -0.279
local terms energy: -37.036818
where:
bonds (distance) C4'-P energy: -10.161
bonds (distance) P-C4' energy: -8.711
flat angles C4'-P-C4' energy: -7.276
flat angles P-C4'-P energy: -2.031
tors. eta vs tors. theta energy: -8.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -125.430855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.430855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.430855 (E_RNA)
where:
Base-Base interactions energy: -83.815
where: short stacking energy: -36.861
Base-Backbone interact. energy: -1.010
local terms energy: -40.605644
where:
bonds (distance) C4'-P energy: -8.281
bonds (distance) P-C4' energy: -9.950
flat angles C4'-P-C4' energy: -7.723
flat angles P-C4'-P energy: -7.747
tors. eta vs tors. theta energy: -6.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -125.180712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.180712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.180712 (E_RNA)
where:
Base-Base interactions energy: -85.527
where: short stacking energy: -38.582
Base-Backbone interact. energy: -0.334
local terms energy: -39.320325
where:
bonds (distance) C4'-P energy: -7.858
bonds (distance) P-C4' energy: -9.116
flat angles C4'-P-C4' energy: -9.189
flat angles P-C4'-P energy: -3.430
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: 9, replica: 3
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -62.814436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.814436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.814436 (E_RNA)
where:
Base-Base interactions energy: -31.184
where: short stacking energy: -31.184
Base-Backbone interact. energy: -0.123
local terms energy: -31.507285
where:
bonds (distance) C4'-P energy: -4.903
bonds (distance) P-C4' energy: -10.057
flat angles C4'-P-C4' energy: -6.051
flat angles P-C4'-P energy: -5.576
tors. eta vs tors. theta energy: -4.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -62.969871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.969871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.969871 (E_RNA)
where:
Base-Base interactions energy: -29.686
where: short stacking energy: -29.686
Base-Backbone interact. energy: -0.000
local terms energy: -33.283090
where:
bonds (distance) C4'-P energy: -7.325
bonds (distance) P-C4' energy: -7.618
flat angles C4'-P-C4' energy: -7.591
flat angles P-C4'-P energy: -3.751
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: 8
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -142.680898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.680898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.680898 (E_RNA)
where:
Base-Base interactions energy: -96.405
where: short stacking energy: -46.087
Base-Backbone interact. energy: -0.449
local terms energy: -45.827102
where:
bonds (distance) C4'-P energy: -10.732
bonds (distance) P-C4' energy: -10.808
flat angles C4'-P-C4' energy: -9.610
flat angles P-C4'-P energy: -3.855
tors. eta vs tors. theta energy: -10.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -140.460389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.460389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.460389 (E_RNA)
where:
Base-Base interactions energy: -94.861
where: short stacking energy: -44.733
Base-Backbone interact. energy: -0.026
local terms energy: -45.573213
where:
bonds (distance) C4'-P energy: -10.400
bonds (distance) P-C4' energy: -10.873
flat angles C4'-P-C4' energy: -9.813
flat angles P-C4'-P energy: -3.863
tors. eta vs tors. theta energy: -10.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -140.976121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.976121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.976121 (E_RNA)
where:
Base-Base interactions energy: -96.068
where: short stacking energy: -44.753
Base-Backbone interact. energy: -0.874
local terms energy: -44.034518
where:
bonds (distance) C4'-P energy: -5.784
bonds (distance) P-C4' energy: -10.327
flat angles C4'-P-C4' energy: -9.262
flat angles P-C4'-P energy: -7.157
tors. eta vs tors. theta energy: -11.505
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: 1
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -136.390690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.390690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.390690 (E_RNA)
where:
Base-Base interactions energy: -94.117
where: short stacking energy: -45.302
Base-Backbone interact. energy: -0.034
local terms energy: -42.240074
where:
bonds (distance) C4'-P energy: -9.635
bonds (distance) P-C4' energy: -10.585
flat angles C4'-P-C4' energy: -6.916
flat angles P-C4'-P energy: -6.697
tors. eta vs tors. theta energy: -8.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -134.970516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.970516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.970516 (E_RNA)
where:
Base-Base interactions energy: -86.937
where: short stacking energy: -37.867
Base-Backbone interact. energy: -0.263
local terms energy: -47.770185
where:
bonds (distance) C4'-P energy: -9.805
bonds (distance) P-C4' energy: -10.880
flat angles C4'-P-C4' energy: -9.874
flat angles P-C4'-P energy: -7.415
tors. eta vs tors. theta energy: -9.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -128.525942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.525942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.525942 (E_RNA)
where:
Base-Base interactions energy: -89.254
where: short stacking energy: -42.606
Base-Backbone interact. energy: -0.905
local terms energy: -38.366329
where:
bonds (distance) C4'-P energy: -9.485
bonds (distance) P-C4' energy: -8.150
flat angles C4'-P-C4' energy: -5.437
flat angles P-C4'-P energy: -6.086
tors. eta vs tors. theta energy: -9.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -132.583465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.583465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.583465 (E_RNA)
where:
Base-Base interactions energy: -88.480
where: short stacking energy: -41.249
Base-Backbone interact. energy: -1.464
local terms energy: -42.639385
where:
bonds (distance) C4'-P energy: -8.401
bonds (distance) P-C4' energy: -10.687
flat angles C4'-P-C4' energy: -9.001
flat angles P-C4'-P energy: -5.973
tors. eta vs tors. theta energy: -8.577
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: 7
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -124.602802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.602802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.602802 (E_RNA)
where:
Base-Base interactions energy: -84.409
where: short stacking energy: -41.368
Base-Backbone interact. energy: -0.793
local terms energy: -39.401305
where:
bonds (distance) C4'-P energy: -8.596
bonds (distance) P-C4' energy: -9.514
flat angles C4'-P-C4' energy: -6.217
flat angles P-C4'-P energy: -7.149
tors. eta vs tors. theta energy: -7.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -123.230570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.230570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.230570 (E_RNA)
where:
Base-Base interactions energy: -85.949
where: short stacking energy: -36.348
Base-Backbone interact. energy: -1.174
local terms energy: -36.107249
where:
bonds (distance) C4'-P energy: -6.066
bonds (distance) P-C4' energy: -7.240
flat angles C4'-P-C4' energy: -9.985
flat angles P-C4'-P energy: -4.957
tors. eta vs tors. theta energy: -7.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -53.620288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.620288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.620288 (E_RNA)
where:
Base-Base interactions energy: -20.929
where: short stacking energy: -20.929
Base-Backbone interact. energy: -0.076
local terms energy: -32.615639
where:
bonds (distance) C4'-P energy: -9.705
bonds (distance) P-C4' energy: -8.196
flat angles C4'-P-C4' energy: -8.765
flat angles P-C4'-P energy: -3.624
tors. eta vs tors. theta energy: -2.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -140.881488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.881488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.881488 (E_RNA)
where:
Base-Base interactions energy: -105.429
where: short stacking energy: -46.863
Base-Backbone interact. energy: -0.072
local terms energy: -35.380471
where:
bonds (distance) C4'-P energy: -7.052
bonds (distance) P-C4' energy: -8.524
flat angles C4'-P-C4' energy: -7.209
flat angles P-C4'-P energy: -4.580
tors. eta vs tors. theta energy: -8.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -141.906645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.906645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.906645 (E_RNA)
where:
Base-Base interactions energy: -98.538
where: short stacking energy: -47.170
Base-Backbone interact. energy: -0.334
local terms energy: -43.035136
where:
bonds (distance) C4'-P energy: -9.680
bonds (distance) P-C4' energy: -10.838
flat angles C4'-P-C4' energy: -8.181
flat angles P-C4'-P energy: -4.803
tors. eta vs tors. theta energy: -9.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -138.259648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.259648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.259648 (E_RNA)
where:
Base-Base interactions energy: -93.140
where: short stacking energy: -42.312
Base-Backbone interact. energy: -0.246
local terms energy: -44.873881
where:
bonds (distance) C4'-P energy: -6.409
bonds (distance) P-C4' energy: -8.199
flat angles C4'-P-C4' energy: -9.943
flat angles P-C4'-P energy: -9.055
tors. eta vs tors. theta energy: -11.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -139.181998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.181998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.181998 (E_RNA)
where:
Base-Base interactions energy: -95.004
where: short stacking energy: -45.504
Base-Backbone interact. energy: -0.280
local terms energy: -43.898001
where:
bonds (distance) C4'-P energy: -9.912
bonds (distance) P-C4' energy: -7.925
flat angles C4'-P-C4' energy: -8.957
flat angles P-C4'-P energy: -7.958
tors. eta vs tors. theta energy: -9.146
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: 5, replica: 5
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -132.068583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.068583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.068583 (E_RNA)
where:
Base-Base interactions energy: -91.476
where: short stacking energy: -41.774
Base-Backbone interact. energy: -1.346
local terms energy: -39.246981
where:
bonds (distance) C4'-P energy: -8.592
bonds (distance) P-C4' energy: -6.513
flat angles C4'-P-C4' energy: -9.505
flat angles P-C4'-P energy: -5.104
tors. eta vs tors. theta energy: -9.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -126.964955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.964955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.964955 (E_RNA)
where:
Base-Base interactions energy: -96.653
where: short stacking energy: -34.417
Base-Backbone interact. energy: -0.039
local terms energy: -30.272900
where:
bonds (distance) C4'-P energy: -4.522
bonds (distance) P-C4' energy: -10.193
flat angles C4'-P-C4' energy: -7.301
flat angles P-C4'-P energy: -2.721
tors. eta vs tors. theta energy: -5.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -127.347832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.347832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.347832 (E_RNA)
where:
Base-Base interactions energy: -88.961
where: short stacking energy: -32.578
Base-Backbone interact. energy: -0.215
local terms energy: -38.171912
where:
bonds (distance) C4'-P energy: -8.223
bonds (distance) P-C4' energy: -8.693
flat angles C4'-P-C4' energy: -9.444
flat angles P-C4'-P energy: -4.339
tors. eta vs tors. theta energy: -7.472
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: 203
Temperature: 1.250000
Total energy: -124.491262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.491262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.491262 (E_RNA)
where:
Base-Base interactions energy: -87.185
where: short stacking energy: -42.431
Base-Backbone interact. energy: -0.267
local terms energy: -37.038866
where:
bonds (distance) C4'-P energy: -5.508
bonds (distance) P-C4' energy: -7.174
flat angles C4'-P-C4' energy: -8.756
flat angles P-C4'-P energy: -6.269
tors. eta vs tors. theta energy: -9.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -120.304688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.304688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.304688 (E_RNA)
where:
Base-Base interactions energy: -88.998
where: short stacking energy: -39.244
Base-Backbone interact. energy: -0.017
local terms energy: -31.289142
where:
bonds (distance) C4'-P energy: -5.072
bonds (distance) P-C4' energy: -7.938
flat angles C4'-P-C4' energy: -8.791
flat angles P-C4'-P energy: -1.812
tors. eta vs tors. theta energy: -7.676
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: 10, replica: 6
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -100.073406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.073406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.073406 (E_RNA)
where:
Base-Base interactions energy: -74.103
where: short stacking energy: -25.605
Base-Backbone interact. energy: -0.008
local terms energy: -25.962748
where:
bonds (distance) C4'-P energy: -8.625
bonds (distance) P-C4' energy: -4.080
flat angles C4'-P-C4' energy: -4.513
flat angles P-C4'-P energy: -4.169
tors. eta vs tors. theta energy: -4.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -140.561513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.561513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.561513 (E_RNA)
where:
Base-Base interactions energy: -99.029
where: short stacking energy: -43.032
Base-Backbone interact. energy: -0.325
local terms energy: -41.206895
where:
bonds (distance) C4'-P energy: -10.363
bonds (distance) P-C4' energy: -10.383
flat angles C4'-P-C4' energy: -7.880
flat angles P-C4'-P energy: -2.912
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: 2, replica: 2
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -138.508678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.508678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.508678 (E_RNA)
where:
Base-Base interactions energy: -97.116
where: short stacking energy: -46.352
Base-Backbone interact. energy: -0.560
local terms energy: -40.832681
where:
bonds (distance) C4'-P energy: -5.959
bonds (distance) P-C4' energy: -9.383
flat angles C4'-P-C4' energy: -9.158
flat angles P-C4'-P energy: -7.103
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: 3, replica: 1
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -135.896160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.896160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.896160 (E_RNA)
where:
Base-Base interactions energy: -89.496
where: short stacking energy: -42.046
Base-Backbone interact. energy: -0.970
local terms energy: -45.429662
where:
bonds (distance) C4'-P energy: -10.082
bonds (distance) P-C4' energy: -10.842
flat angles C4'-P-C4' energy: -7.894
flat angles P-C4'-P energy: -6.798
tors. eta vs tors. theta energy: -9.814
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: 4
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -130.713592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.713592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.713592 (E_RNA)
where:
Base-Base interactions energy: -91.572
where: short stacking energy: -37.815
Base-Backbone interact. energy: 0.677
local terms energy: -39.819320
where:
bonds (distance) C4'-P energy: -6.812
bonds (distance) P-C4' energy: -10.451
flat angles C4'-P-C4' energy: -7.358
flat angles P-C4'-P energy: -7.368
tors. eta vs tors. theta energy: -7.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -130.994331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.994331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.994331 (E_RNA)
where:
Base-Base interactions energy: -86.325
where: short stacking energy: -44.132
Base-Backbone interact. energy: -0.145
local terms energy: -44.524304
where:
bonds (distance) C4'-P energy: -8.276
bonds (distance) P-C4' energy: -10.326
flat angles C4'-P-C4' energy: -10.318
flat angles P-C4'-P energy: -6.594
tors. eta vs tors. theta energy: -9.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -131.388467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.388467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.388467 (E_RNA)
where:
Base-Base interactions energy: -92.611
where: short stacking energy: -42.266
Base-Backbone interact. energy: -0.137
local terms energy: -38.641071
where:
bonds (distance) C4'-P energy: -5.448
bonds (distance) P-C4' energy: -10.404
flat angles C4'-P-C4' energy: -7.754
flat angles P-C4'-P energy: -6.770
tors. eta vs tors. theta energy: -8.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -131.007151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.007151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.007151 (E_RNA)
where:
Base-Base interactions energy: -88.015
where: short stacking energy: -37.810
Base-Backbone interact. energy: -0.794
local terms energy: -42.197291
where:
bonds (distance) C4'-P energy: -8.393
bonds (distance) P-C4' energy: -10.448
flat angles C4'-P-C4' energy: -8.060
flat angles P-C4'-P energy: -5.130
tors. eta vs tors. theta energy: -10.166
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: 10
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -124.636089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.636089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.636089 (E_RNA)
where:
Base-Base interactions energy: -86.549
where: short stacking energy: -35.236
Base-Backbone interact. energy: -0.010
local terms energy: -38.076981
where:
bonds (distance) C4'-P energy: -6.606
bonds (distance) P-C4' energy: -9.905
flat angles C4'-P-C4' energy: -9.684
flat angles P-C4'-P energy: -6.041
tors. eta vs tors. theta energy: -5.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -112.069779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.069779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.069779 (E_RNA)
where:
Base-Base interactions energy: -74.581
where: short stacking energy: -30.749
Base-Backbone interact. energy: -0.579
local terms energy: -36.909591
where:
bonds (distance) C4'-P energy: -9.432
bonds (distance) P-C4' energy: -8.904
flat angles C4'-P-C4' energy: -6.868
flat angles P-C4'-P energy: -4.838
tors. eta vs tors. theta energy: -6.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -112.910250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.910250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.910250 (E_RNA)
where:
Base-Base interactions energy: -79.522
where: short stacking energy: -31.610
Base-Backbone interact. energy: -0.021
local terms energy: -33.367906
where:
bonds (distance) C4'-P energy: -6.369
bonds (distance) P-C4' energy: -10.423
flat angles C4'-P-C4' energy: -7.147
flat angles P-C4'-P energy: -3.156
tors. eta vs tors. theta energy: -6.274
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: 1, replica: 8
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -143.579062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.579062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.579062 (E_RNA)
where:
Base-Base interactions energy: -99.658
where: short stacking energy: -48.242
Base-Backbone interact. energy: -0.164
local terms energy: -43.757358
where:
bonds (distance) C4'-P energy: -8.239
bonds (distance) P-C4' energy: -10.070
flat angles C4'-P-C4' energy: -8.939
flat angles P-C4'-P energy: -8.601
tors. eta vs tors. theta energy: -7.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -138.582199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.582199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.582199 (E_RNA)
where:
Base-Base interactions energy: -92.893
where: short stacking energy: -45.071
Base-Backbone interact. energy: -1.171
local terms energy: -44.518231
where:
bonds (distance) C4'-P energy: -8.687
bonds (distance) P-C4' energy: -9.746
flat angles C4'-P-C4' energy: -9.345
flat angles P-C4'-P energy: -6.427
tors. eta vs tors. theta energy: -10.314
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: 1
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -141.934043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.934043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.934043 (E_RNA)
where:
Base-Base interactions energy: -97.117
where: short stacking energy: -46.994
Base-Backbone interact. energy: -0.875
local terms energy: -43.942747
where:
bonds (distance) C4'-P energy: -9.378
bonds (distance) P-C4' energy: -7.537
flat angles C4'-P-C4' energy: -9.000
flat angles P-C4'-P energy: -6.341
tors. eta vs tors. theta energy: -11.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -136.051873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.051873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.051873 (E_RNA)
where:
Base-Base interactions energy: -99.140
where: short stacking energy: -43.859
Base-Backbone interact. energy: -0.131
local terms energy: -36.781602
where:
bonds (distance) C4'-P energy: -6.012
bonds (distance) P-C4' energy: -9.548
flat angles C4'-P-C4' energy: -5.742
flat angles P-C4'-P energy: -6.948
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: 5, replica: 4
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -133.054725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.054725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.054725 (E_RNA)
where:
Base-Base interactions energy: -87.906
where: short stacking energy: -37.961
Base-Backbone interact. energy: -1.521
local terms energy: -43.627147
where:
bonds (distance) C4'-P energy: -9.076
bonds (distance) P-C4' energy: -9.368
flat angles C4'-P-C4' energy: -9.213
flat angles P-C4'-P energy: -6.950
tors. eta vs tors. theta energy: -9.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -132.582077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.582077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.582077 (E_RNA)
where:
Base-Base interactions energy: -90.269
where: short stacking energy: -40.173
Base-Backbone interact. energy: -1.388
local terms energy: -40.924916
where:
bonds (distance) C4'-P energy: -6.207
bonds (distance) P-C4' energy: -9.545
flat angles C4'-P-C4' energy: -9.910
flat angles P-C4'-P energy: -7.603
tors. eta vs tors. theta energy: -7.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -129.563547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.563547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.563547 (E_RNA)
where:
Base-Base interactions energy: -87.745
where: short stacking energy: -37.590
Base-Backbone interact. energy: -0.043
local terms energy: -41.775700
where:
bonds (distance) C4'-P energy: -9.689
bonds (distance) P-C4' energy: -10.376
flat angles C4'-P-C4' energy: -9.497
flat angles P-C4'-P energy: -3.609
tors. eta vs tors. theta energy: -8.605
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: 10
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -125.087472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.087472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.087472 (E_RNA)
where:
Base-Base interactions energy: -84.823
where: short stacking energy: -35.227
Base-Backbone interact. energy: -0.595
local terms energy: -39.669432
where:
bonds (distance) C4'-P energy: -9.424
bonds (distance) P-C4' energy: -9.925
flat angles C4'-P-C4' energy: -7.628
flat angles P-C4'-P energy: -5.722
tors. eta vs tors. theta energy: -6.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -107.336788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.336788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.336788 (E_RNA)
where:
Base-Base interactions energy: -70.292
where: short stacking energy: -37.136
Base-Backbone interact. energy: -0.558
local terms energy: -36.487477
where:
bonds (distance) C4'-P energy: -6.555
bonds (distance) P-C4' energy: -9.528
flat angles C4'-P-C4' energy: -6.844
flat angles P-C4'-P energy: -3.423
tors. eta vs tors. theta energy: -10.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -59.527808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.527808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.527808 (E_RNA)
where:
Base-Base interactions energy: -31.426
where: short stacking energy: -19.669
Base-Backbone interact. energy: 0.290
local terms energy: -28.391901
where:
bonds (distance) C4'-P energy: -8.033
bonds (distance) P-C4' energy: -7.710
flat angles C4'-P-C4' energy: -8.979
flat angles P-C4'-P energy: -3.812
tors. eta vs tors. theta energy: 0.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -139.657202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.657202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.657202 (E_RNA)
where:
Base-Base interactions energy: -99.531
where: short stacking energy: -46.633
Base-Backbone interact. energy: -0.197
local terms energy: -39.930028
where:
bonds (distance) C4'-P energy: -5.723
bonds (distance) P-C4' energy: -9.305
flat angles C4'-P-C4' energy: -9.061
flat angles P-C4'-P energy: -4.653
tors. eta vs tors. theta energy: -11.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -139.116888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.116888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.116888 (E_RNA)
where:
Base-Base interactions energy: -95.955
where: short stacking energy: -45.475
Base-Backbone interact. energy: 0.174
local terms energy: -43.335005
where:
bonds (distance) C4'-P energy: -8.856
bonds (distance) P-C4' energy: -7.083
flat angles C4'-P-C4' energy: -10.634
flat angles P-C4'-P energy: -5.531
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: 3, replica: 9
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -138.658528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.658528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.658528 (E_RNA)
where:
Base-Base interactions energy: -94.774
where: short stacking energy: -44.715
Base-Backbone interact. energy: -0.768
local terms energy: -43.116630
where:
bonds (distance) C4'-P energy: -7.913
bonds (distance) P-C4' energy: -9.435
flat angles C4'-P-C4' energy: -9.977
flat angles P-C4'-P energy: -4.486
tors. eta vs tors. theta energy: -11.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -137.048033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.048033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.048033 (E_RNA)
where:
Base-Base interactions energy: -93.950
where: short stacking energy: -43.951
Base-Backbone interact. energy: -1.390
local terms energy: -41.708281
where:
bonds (distance) C4'-P energy: -10.037
bonds (distance) P-C4' energy: -7.330
flat angles C4'-P-C4' energy: -7.816
flat angles P-C4'-P energy: -8.670
tors. eta vs tors. theta energy: -7.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -129.997782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.997782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.997782 (E_RNA)
where:
Base-Base interactions energy: -89.650
where: short stacking energy: -37.912
Base-Backbone interact. energy: -0.011
local terms energy: -40.337109
where:
bonds (distance) C4'-P energy: -5.181
bonds (distance) P-C4' energy: -9.932
flat angles C4'-P-C4' energy: -10.543
flat angles P-C4'-P energy: -6.259
tors. eta vs tors. theta energy: -8.422
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: 4
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -124.299197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.299197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.299197 (E_RNA)
where:
Base-Base interactions energy: -84.624
where: short stacking energy: -34.267
Base-Backbone interact. energy: 0.408
local terms energy: -40.083655
where:
bonds (distance) C4'-P energy: -7.843
bonds (distance) P-C4' energy: -10.097
flat angles C4'-P-C4' energy: -9.163
flat angles P-C4'-P energy: -7.558
tors. eta vs tors. theta energy: -5.422
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: 7, replica: 5
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -125.556765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.556765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.556765 (E_RNA)
where:
Base-Base interactions energy: -87.204
where: short stacking energy: -37.638
Base-Backbone interact. energy: 1.313
local terms energy: -39.666341
where:
bonds (distance) C4'-P energy: -8.997
bonds (distance) P-C4' energy: -10.067
flat angles C4'-P-C4' energy: -6.077
flat angles P-C4'-P energy: -7.690
tors. eta vs tors. theta energy: -6.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -129.152070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.152070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.152070 (E_RNA)
where:
Base-Base interactions energy: -90.501
where: short stacking energy: -43.096
Base-Backbone interact. energy: -0.590
local terms energy: -38.061408
where:
bonds (distance) C4'-P energy: -4.584
bonds (distance) P-C4' energy: -9.134
flat angles C4'-P-C4' energy: -5.973
flat angles P-C4'-P energy: -7.017
tors. eta vs tors. theta energy: -11.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -78.647813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.647813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.647813 (E_RNA)
where:
Base-Base interactions energy: -48.018
where: short stacking energy: -36.679
Base-Backbone interact. energy: -0.136
local terms energy: -30.493891
where:
bonds (distance) C4'-P energy: -7.077
bonds (distance) P-C4' energy: -5.171
flat angles C4'-P-C4' energy: -6.465
flat angles P-C4'-P energy: -6.272
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: 10, replica: 7
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -75.078929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.078929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.078929 (E_RNA)
where:
Base-Base interactions energy: -44.731
where: short stacking energy: -17.985
Base-Backbone interact. energy: -0.171
local terms energy: -30.177154
where:
bonds (distance) C4'-P energy: -9.076
bonds (distance) P-C4' energy: -7.594
flat angles C4'-P-C4' energy: -8.807
flat angles P-C4'-P energy: -0.319
tors. eta vs tors. theta energy: -4.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -141.549247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.549247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.549247 (E_RNA)
where:
Base-Base interactions energy: -95.226
where: short stacking energy: -44.433
Base-Backbone interact. energy: -0.049
local terms energy: -46.273768
where:
bonds (distance) C4'-P energy: -9.805
bonds (distance) P-C4' energy: -10.870
flat angles C4'-P-C4' energy: -9.499
flat angles P-C4'-P energy: -5.850
tors. eta vs tors. theta energy: -10.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -140.924233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.924233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.924233 (E_RNA)
where:
Base-Base interactions energy: -96.489
where: short stacking energy: -45.538
Base-Backbone interact. energy: -0.993
local terms energy: -43.441999
where:
bonds (distance) C4'-P energy: -8.650
bonds (distance) P-C4' energy: -9.506
flat angles C4'-P-C4' energy: -10.364
flat angles P-C4'-P energy: -5.466
tors. eta vs tors. theta energy: -9.456
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: 8
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -136.991126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.991126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.991126 (E_RNA)
where:
Base-Base interactions energy: -93.351
where: short stacking energy: -39.193
Base-Backbone interact. energy: -1.618
local terms energy: -42.021856
where:
bonds (distance) C4'-P energy: -8.542
bonds (distance) P-C4' energy: -8.959
flat angles C4'-P-C4' energy: -8.641
flat angles P-C4'-P energy: -6.015
tors. eta vs tors. theta energy: -9.864
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: 3
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -137.351872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.351872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.351872 (E_RNA)
where:
Base-Base interactions energy: -99.817
where: short stacking energy: -42.600
Base-Backbone interact. energy: -0.068
local terms energy: -37.467084
where:
bonds (distance) C4'-P energy: -8.935
bonds (distance) P-C4' energy: -9.566
flat angles C4'-P-C4' energy: -8.898
flat angles P-C4'-P energy: -1.153
tors. eta vs tors. theta energy: -8.915
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: 5, replica: 1
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -134.204588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.204588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.204588 (E_RNA)
where:
Base-Base interactions energy: -92.722
where: short stacking energy: -42.168
Base-Backbone interact. energy: -1.553
local terms energy: -39.929268
where:
bonds (distance) C4'-P energy: -6.294
bonds (distance) P-C4' energy: -9.330
flat angles C4'-P-C4' energy: -8.904
flat angles P-C4'-P energy: -6.315
tors. eta vs tors. theta energy: -9.086
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: 5
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -126.069005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.069005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.069005 (E_RNA)
where:
Base-Base interactions energy: -87.095
where: short stacking energy: -36.953
Base-Backbone interact. energy: -1.383
local terms energy: -37.591154
where:
bonds (distance) C4'-P energy: -8.414
bonds (distance) P-C4' energy: -10.867
flat angles C4'-P-C4' energy: -8.061
flat angles P-C4'-P energy: -2.766
tors. eta vs tors. theta energy: -7.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -130.607431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.607431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.607431 (E_RNA)
where:
Base-Base interactions energy: -93.199
where: short stacking energy: -43.394
Base-Backbone interact. energy: -0.005
local terms energy: -37.404072
where:
bonds (distance) C4'-P energy: -6.674
bonds (distance) P-C4' energy: -9.746
flat angles C4'-P-C4' energy: -9.010
flat angles P-C4'-P energy: -4.205
tors. eta vs tors. theta energy: -7.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -127.508213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.508213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.508213 (E_RNA)
where:
Base-Base interactions energy: -87.259
where: short stacking energy: -39.670
Base-Backbone interact. energy: -0.061
local terms energy: -40.188372
where:
bonds (distance) C4'-P energy: -5.320
bonds (distance) P-C4' energy: -8.840
flat angles C4'-P-C4' energy: -8.826
flat angles P-C4'-P energy: -8.318
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: 9, replica: 6
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -68.899388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.899388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.899388 (E_RNA)
where:
Base-Base interactions energy: -36.958
where: short stacking energy: -26.734
Base-Backbone interact. energy: 0.204
local terms energy: -32.145217
where:
bonds (distance) C4'-P energy: -5.603
bonds (distance) P-C4' energy: -8.458
flat angles C4'-P-C4' energy: -8.724
flat angles P-C4'-P energy: -4.147
tors. eta vs tors. theta energy: -5.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -60.736631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.736631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.736631 (E_RNA)
where:
Base-Base interactions energy: -30.262
where: short stacking energy: -30.262
Base-Backbone interact. energy: -0.001
local terms energy: -30.474347
where:
bonds (distance) C4'-P energy: -7.304
bonds (distance) P-C4' energy: -10.290
flat angles C4'-P-C4' energy: -3.381
flat angles P-C4'-P energy: -4.916
tors. eta vs tors. theta energy: -4.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -141.347346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.347346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.347346 (E_RNA)
where:
Base-Base interactions energy: -97.987
where: short stacking energy: -46.961
Base-Backbone interact. energy: -0.396
local terms energy: -42.964406
where:
bonds (distance) C4'-P energy: -8.546
bonds (distance) P-C4' energy: -10.873
flat angles C4'-P-C4' energy: -8.173
flat angles P-C4'-P energy: -6.259
tors. eta vs tors. theta energy: -9.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -143.200721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.200721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.200721 (E_RNA)
where:
Base-Base interactions energy: -103.934
where: short stacking energy: -41.390
Base-Backbone interact. energy: -0.030
local terms energy: -39.236799
where:
bonds (distance) C4'-P energy: -9.440
bonds (distance) P-C4' energy: -9.187
flat angles C4'-P-C4' energy: -8.046
flat angles P-C4'-P energy: -3.232
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: 3, replica: 8
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -138.341535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.341535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.341535 (E_RNA)
where:
Base-Base interactions energy: -90.319
where: short stacking energy: -39.583
Base-Backbone interact. energy: -1.387
local terms energy: -46.636435
where:
bonds (distance) C4'-P energy: -8.223
bonds (distance) P-C4' energy: -10.394
flat angles C4'-P-C4' energy: -8.744
flat angles P-C4'-P energy: -8.350
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: 4, replica: 3
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -143.427338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.427338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.427338 (E_RNA)
where:
Base-Base interactions energy: -104.527
where: short stacking energy: -40.023
Base-Backbone interact. energy: -0.015
local terms energy: -38.885014
where:
bonds (distance) C4'-P energy: -7.726
bonds (distance) P-C4' energy: -10.327
flat angles C4'-P-C4' energy: -9.150
flat angles P-C4'-P energy: -2.785
tors. eta vs tors. theta energy: -8.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -136.815938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.815938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.815938 (E_RNA)
where:
Base-Base interactions energy: -95.062
where: short stacking energy: -44.724
Base-Backbone interact. energy: -0.000
local terms energy: -41.753911
where:
bonds (distance) C4'-P energy: -9.031
bonds (distance) P-C4' energy: -9.112
flat angles C4'-P-C4' energy: -8.878
flat angles P-C4'-P energy: -5.037
tors. eta vs tors. theta energy: -9.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -132.779054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.779054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.779054 (E_RNA)
where:
Base-Base interactions energy: -95.329
where: short stacking energy: -45.101
Base-Backbone interact. energy: -1.467
local terms energy: -35.983299
where:
bonds (distance) C4'-P energy: -7.867
bonds (distance) P-C4' energy: -5.607
flat angles C4'-P-C4' energy: -9.830
flat angles P-C4'-P energy: -3.508
tors. eta vs tors. theta energy: -9.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -125.136450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.136450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.136450 (E_RNA)
where:
Base-Base interactions energy: -90.876
where: short stacking energy: -39.190
Base-Backbone interact. energy: -0.005
local terms energy: -34.255382
where:
bonds (distance) C4'-P energy: -4.111
bonds (distance) P-C4' energy: -9.021
flat angles C4'-P-C4' energy: -8.552
flat angles P-C4'-P energy: -5.776
tors. eta vs tors. theta energy: -6.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -117.226812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.226812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.226812 (E_RNA)
where:
Base-Base interactions energy: -84.060
where: short stacking energy: -37.219
Base-Backbone interact. energy: 1.058
local terms energy: -34.224712
where:
bonds (distance) C4'-P energy: -8.244
bonds (distance) P-C4' energy: -9.147
flat angles C4'-P-C4' energy: -5.839
flat angles P-C4'-P energy: -4.406
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: 9, replica: 7
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -70.194524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.194524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.194524 (E_RNA)
where:
Base-Base interactions energy: -32.902
where: short stacking energy: -32.902
Base-Backbone interact. energy: -0.057
local terms energy: -37.235019
where:
bonds (distance) C4'-P energy: -4.753
bonds (distance) P-C4' energy: -10.211
flat angles C4'-P-C4' energy: -9.079
flat angles P-C4'-P energy: -7.113
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: 10, replica: 6
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -62.477021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.477021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.477021 (E_RNA)
where:
Base-Base interactions energy: -29.563
where: short stacking energy: -26.856
Base-Backbone interact. energy: -0.096
local terms energy: -32.818721
where:
bonds (distance) C4'-P energy: -7.176
bonds (distance) P-C4' energy: -9.911
flat angles C4'-P-C4' energy: -8.025
flat angles P-C4'-P energy: -4.473
tors. eta vs tors. theta energy: -3.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -138.225785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.225785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.225785 (E_RNA)
where:
Base-Base interactions energy: -94.776
where: short stacking energy: -45.946
Base-Backbone interact. energy: -0.495
local terms energy: -42.954781
where:
bonds (distance) C4'-P energy: -9.585
bonds (distance) P-C4' energy: -10.877
flat angles C4'-P-C4' energy: -8.856
flat angles P-C4'-P energy: -3.362
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: 2, replica: 8
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -134.276766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.276766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.276766 (E_RNA)
where:
Base-Base interactions energy: -93.803
where: short stacking energy: -37.428
Base-Backbone interact. energy: -0.057
local terms energy: -40.416970
where:
bonds (distance) C4'-P energy: -10.223
bonds (distance) P-C4' energy: -10.423
flat angles C4'-P-C4' energy: -6.462
flat angles P-C4'-P energy: -6.221
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: 3, replica: 2
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -145.251737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.251737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.251737 (E_RNA)
where:
Base-Base interactions energy: -110.092
where: short stacking energy: -43.788
Base-Backbone interact. energy: -0.107
local terms energy: -35.052617
where:
bonds (distance) C4'-P energy: -9.076
bonds (distance) P-C4' energy: -9.538
flat angles C4'-P-C4' energy: -7.369
flat angles P-C4'-P energy: 0.566
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: 4, replica: 5
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -135.658926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.658926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.658926 (E_RNA)
where:
Base-Base interactions energy: -95.972
where: short stacking energy: -46.119
Base-Backbone interact. energy: -0.275
local terms energy: -39.412086
where:
bonds (distance) C4'-P energy: -4.469
bonds (distance) P-C4' energy: -9.669
flat angles C4'-P-C4' energy: -9.891
flat angles P-C4'-P energy: -6.019
tors. eta vs tors. theta energy: -9.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -128.404737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.404737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.404737 (E_RNA)
where:
Base-Base interactions energy: -90.998
where: short stacking energy: -42.262
Base-Backbone interact. energy: -0.098
local terms energy: -37.308198
where:
bonds (distance) C4'-P energy: -7.408
bonds (distance) P-C4' energy: -8.843
flat angles C4'-P-C4' energy: -9.812
flat angles P-C4'-P energy: -3.116
tors. eta vs tors. theta energy: -8.130
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: 6, replica: 4
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -131.674381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.674381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.674381 (E_RNA)
where:
Base-Base interactions energy: -90.524
where: short stacking energy: -40.393
Base-Backbone interact. energy: -0.015
local terms energy: -41.135122
where:
bonds (distance) C4'-P energy: -9.725
bonds (distance) P-C4' energy: -4.634
flat angles C4'-P-C4' energy: -9.948
flat angles P-C4'-P energy: -6.283
tors. eta vs tors. theta energy: -10.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -126.158629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.158629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.158629 (E_RNA)
where:
Base-Base interactions energy: -90.914
where: short stacking energy: -40.993
Base-Backbone interact. energy: -1.686
local terms energy: -33.559116
where:
bonds (distance) C4'-P energy: -5.151
bonds (distance) P-C4' energy: -8.284
flat angles C4'-P-C4' energy: -6.813
flat angles P-C4'-P energy: -6.943
tors. eta vs tors. theta energy: -6.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -127.843918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.843918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.843918 (E_RNA)
where:
Base-Base interactions energy: -85.747
where: short stacking energy: -38.078
Base-Backbone interact. energy: -1.733
local terms energy: -40.364222
where:
bonds (distance) C4'-P energy: -6.935
bonds (distance) P-C4' energy: -10.299
flat angles C4'-P-C4' energy: -8.519
flat angles P-C4'-P energy: -4.979
tors. eta vs tors. theta energy: -9.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -69.924894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.924894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.924894 (E_RNA)
where:
Base-Base interactions energy: -40.065
where: short stacking energy: -25.265
Base-Backbone interact. energy: -1.175
local terms energy: -28.685412
where:
bonds (distance) C4'-P energy: -4.882
bonds (distance) P-C4' energy: -9.031
flat angles C4'-P-C4' energy: -6.535
flat angles P-C4'-P energy: -2.044
tors. eta vs tors. theta energy: -6.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -90.790277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.790277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.790277 (E_RNA)
where:
Base-Base interactions energy: -64.275
where: short stacking energy: -21.808
Base-Backbone interact. energy: 0.058
local terms energy: -26.573700
where:
bonds (distance) C4'-P energy: -3.421
bonds (distance) P-C4' energy: -9.765
flat angles C4'-P-C4' energy: -3.041
flat angles P-C4'-P energy: -5.347
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: 1, replica: 9
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -139.265431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.265431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.265431 (E_RNA)
where:
Base-Base interactions energy: -93.609
where: short stacking energy: -42.190
Base-Backbone interact. energy: -0.510
local terms energy: -45.146287
where:
bonds (distance) C4'-P energy: -8.890
bonds (distance) P-C4' energy: -10.429
flat angles C4'-P-C4' energy: -9.289
flat angles P-C4'-P energy: -5.784
tors. eta vs tors. theta energy: -10.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -135.324862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.324862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.324862 (E_RNA)
where:
Base-Base interactions energy: -90.789
where: short stacking energy: -38.886
Base-Backbone interact. energy: -1.443
local terms energy: -43.092636
where:
bonds (distance) C4'-P energy: -8.952
bonds (distance) P-C4' energy: -9.278
flat angles C4'-P-C4' energy: -10.424
flat angles P-C4'-P energy: -6.601
tors. eta vs tors. theta energy: -7.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -136.153944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.153944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.153944 (E_RNA)
where:
Base-Base interactions energy: -94.920
where: short stacking energy: -44.912
Base-Backbone interact. energy: -0.108
local terms energy: -41.125734
where:
bonds (distance) C4'-P energy: -8.640
bonds (distance) P-C4' energy: -9.543
flat angles C4'-P-C4' energy: -6.874
flat angles P-C4'-P energy: -5.370
tors. eta vs tors. theta energy: -10.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -134.626789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.626789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.626789 (E_RNA)
where:
Base-Base interactions energy: -93.790
where: short stacking energy: -39.867
Base-Backbone interact. energy: -0.127
local terms energy: -40.710328
where:
bonds (distance) C4'-P energy: -9.680
bonds (distance) P-C4' energy: -8.404
flat angles C4'-P-C4' energy: -9.368
flat angles P-C4'-P energy: -5.206
tors. eta vs tors. theta energy: -8.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -139.730956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.730956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.730956 (E_RNA)
where:
Base-Base interactions energy: -95.538
where: short stacking energy: -44.407
Base-Backbone interact. energy: -0.003
local terms energy: -44.189062
where:
bonds (distance) C4'-P energy: -8.604
bonds (distance) P-C4' energy: -8.718
flat angles C4'-P-C4' energy: -10.693
flat angles P-C4'-P energy: -5.887
tors. eta vs tors. theta energy: -10.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -132.880242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.880242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.880242 (E_RNA)
where:
Base-Base interactions energy: -96.206
where: short stacking energy: -45.170
Base-Backbone interact. energy: 0.459
local terms energy: -37.133703
where:
bonds (distance) C4'-P energy: -5.694
bonds (distance) P-C4' energy: -8.727
flat angles C4'-P-C4' energy: -9.620
flat angles P-C4'-P energy: -4.981
tors. eta vs tors. theta energy: -8.112
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: 1
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -129.888716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.888716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.888716 (E_RNA)
where:
Base-Base interactions energy: -87.449
where: short stacking energy: -37.861
Base-Backbone interact. energy: -0.019
local terms energy: -42.420584
where:
bonds (distance) C4'-P energy: -9.076
bonds (distance) P-C4' energy: -6.491
flat angles C4'-P-C4' energy: -8.574
flat angles P-C4'-P energy: -6.870
tors. eta vs tors. theta energy: -11.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -123.810130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.810130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.810130 (E_RNA)
where:
Base-Base interactions energy: -84.547
where: short stacking energy: -36.444
Base-Backbone interact. energy: -0.000
local terms energy: -39.262692
where:
bonds (distance) C4'-P energy: -9.030
bonds (distance) P-C4' energy: -10.165
flat angles C4'-P-C4' energy: -8.000
flat angles P-C4'-P energy: -4.294
tors. eta vs tors. theta energy: -7.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -105.246016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.246016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.246016 (E_RNA)
where:
Base-Base interactions energy: -69.312
where: short stacking energy: -34.633
Base-Backbone interact. energy: -0.322
local terms energy: -35.612230
where:
bonds (distance) C4'-P energy: -8.058
bonds (distance) P-C4' energy: -10.000
flat angles C4'-P-C4' energy: -7.325
flat angles P-C4'-P energy: -3.842
tors. eta vs tors. theta energy: -6.387
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: 7
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -65.273911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.273911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.273911 (E_RNA)
where:
Base-Base interactions energy: -30.189
where: short stacking energy: -30.189
Base-Backbone interact. energy: -0.002
local terms energy: -35.083204
where:
bonds (distance) C4'-P energy: -10.454
bonds (distance) P-C4' energy: -10.324
flat angles C4'-P-C4' energy: -7.426
flat angles P-C4'-P energy: -1.132
tors. eta vs tors. theta energy: -5.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -142.922354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.922354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.922354 (E_RNA)
where:
Base-Base interactions energy: -95.873
where: short stacking energy: -43.929
Base-Backbone interact. energy: -1.137
local terms energy: -45.912817
where:
bonds (distance) C4'-P energy: -8.790
bonds (distance) P-C4' energy: -10.891
flat angles C4'-P-C4' energy: -10.960
flat angles P-C4'-P energy: -5.801
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: 2, replica: 5
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -141.109176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.109176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.109176 (E_RNA)
where:
Base-Base interactions energy: -97.608
where: short stacking energy: -45.966
Base-Backbone interact. energy: 0.126
local terms energy: -43.627077
where:
bonds (distance) C4'-P energy: -5.760
bonds (distance) P-C4' energy: -9.975
flat angles C4'-P-C4' energy: -9.602
flat angles P-C4'-P energy: -6.981
tors. eta vs tors. theta energy: -11.310
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: 8
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -140.652816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.652816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.652816 (E_RNA)
where:
Base-Base interactions energy: -96.056
where: short stacking energy: -40.212
Base-Backbone interact. energy: -1.647
local terms energy: -42.949728
where:
bonds (distance) C4'-P energy: -7.056
bonds (distance) P-C4' energy: -9.993
flat angles C4'-P-C4' energy: -7.621
flat angles P-C4'-P energy: -7.068
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: 4, replica: 4
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -130.616137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.616137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.616137 (E_RNA)
where:
Base-Base interactions energy: -87.142
where: short stacking energy: -42.150
Base-Backbone interact. energy: -0.006
local terms energy: -43.467658
where:
bonds (distance) C4'-P energy: -9.191
bonds (distance) P-C4' energy: -9.171
flat angles C4'-P-C4' energy: -8.111
flat angles P-C4'-P energy: -7.486
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: 5, replica: 2
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -139.366026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.366026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.366026 (E_RNA)
where:
Base-Base interactions energy: -102.626
where: short stacking energy: -42.420
Base-Backbone interact. energy: -0.194
local terms energy: -36.545638
where:
bonds (distance) C4'-P energy: -5.793
bonds (distance) P-C4' energy: -7.695
flat angles C4'-P-C4' energy: -10.644
flat angles P-C4'-P energy: -5.137
tors. eta vs tors. theta energy: -7.277
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: 1
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -132.844887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.844887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.844887 (E_RNA)
where:
Base-Base interactions energy: -89.040
where: short stacking energy: -40.118
Base-Backbone interact. energy: -1.286
local terms energy: -42.518443
where:
bonds (distance) C4'-P energy: -9.892
bonds (distance) P-C4' energy: -8.531
flat angles C4'-P-C4' energy: -8.665
flat angles P-C4'-P energy: -7.861
tors. eta vs tors. theta energy: -7.570
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: 3
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -114.036709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.036709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.036709 (E_RNA)
where:
Base-Base interactions energy: -75.831
where: short stacking energy: -30.436
Base-Backbone interact. energy: 0.902
local terms energy: -39.107416
where:
bonds (distance) C4'-P energy: -8.198
bonds (distance) P-C4' energy: -9.284
flat angles C4'-P-C4' energy: -7.626
flat angles P-C4'-P energy: -5.754
tors. eta vs tors. theta energy: -8.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -126.869558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.869558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.869558 (E_RNA)
where:
Base-Base interactions energy: -87.560
where: short stacking energy: -39.181
Base-Backbone interact. energy: -0.705
local terms energy: -38.604950
where:
bonds (distance) C4'-P energy: -8.671
bonds (distance) P-C4' energy: -3.884
flat angles C4'-P-C4' energy: -8.519
flat angles P-C4'-P energy: -7.874
tors. eta vs tors. theta energy: -9.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -76.653067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.653067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.653067 (E_RNA)
where:
Base-Base interactions energy: -49.355
where: short stacking energy: -21.961
Base-Backbone interact. energy: -0.093
local terms energy: -27.204926
where:
bonds (distance) C4'-P energy: -7.932
bonds (distance) P-C4' energy: -5.369
flat angles C4'-P-C4' energy: -7.817
flat angles P-C4'-P energy: -5.204
tors. eta vs tors. theta energy: -0.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -62.925852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.925852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.925852 (E_RNA)
where:
Base-Base interactions energy: -25.097
where: short stacking energy: -25.097
Base-Backbone interact. energy: -0.000
local terms energy: -37.828440
where:
bonds (distance) C4'-P energy: -10.185
bonds (distance) P-C4' energy: -10.211
flat angles C4'-P-C4' energy: -9.064
flat angles P-C4'-P energy: -5.836
tors. eta vs tors. theta energy: -2.532
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: 1, replica: 9
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -140.133757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.133757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.133757 (E_RNA)
where:
Base-Base interactions energy: -95.414
where: short stacking energy: -43.497
Base-Backbone interact. energy: -0.699
local terms energy: -44.020732
where:
bonds (distance) C4'-P energy: -8.223
bonds (distance) P-C4' energy: -8.005
flat angles C4'-P-C4' energy: -10.039
flat angles P-C4'-P energy: -7.081
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: 2, replica: 5
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -139.933823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.933823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.933823 (E_RNA)
where:
Base-Base interactions energy: -97.374
where: short stacking energy: -45.905
Base-Backbone interact. energy: -0.737
local terms energy: -41.822837
where:
bonds (distance) C4'-P energy: -8.162
bonds (distance) P-C4' energy: -7.427
flat angles C4'-P-C4' energy: -10.248
flat angles P-C4'-P energy: -6.083
tors. eta vs tors. theta energy: -9.903
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: 4
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -140.730202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.730202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.730202 (E_RNA)
where:
Base-Base interactions energy: -96.312
where: short stacking energy: -46.858
Base-Backbone interact. energy: -2.136
local terms energy: -42.282143
where:
bonds (distance) C4'-P energy: -9.369
bonds (distance) P-C4' energy: -8.711
flat angles C4'-P-C4' energy: -8.069
flat angles P-C4'-P energy: -5.508
tors. eta vs tors. theta energy: -10.624
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: 8
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -139.748821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.748821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.748821 (E_RNA)
where:
Base-Base interactions energy: -97.440
where: short stacking energy: -44.497
Base-Backbone interact. energy: -2.052
local terms energy: -40.257562
where:
bonds (distance) C4'-P energy: -9.875
bonds (distance) P-C4' energy: -7.252
flat angles C4'-P-C4' energy: -7.269
flat angles P-C4'-P energy: -6.446
tors. eta vs tors. theta energy: -9.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -135.535124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.535124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.535124 (E_RNA)
where:
Base-Base interactions energy: -90.837
where: short stacking energy: -41.750
Base-Backbone interact. energy: -0.664
local terms energy: -44.033889
where:
bonds (distance) C4'-P energy: -9.034
bonds (distance) P-C4' energy: -10.616
flat angles C4'-P-C4' energy: -8.579
flat angles P-C4'-P energy: -7.463
tors. eta vs tors. theta energy: -8.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -136.198500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.198500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.198500 (E_RNA)
where:
Base-Base interactions energy: -93.704
where: short stacking energy: -44.157
Base-Backbone interact. energy: -0.013
local terms energy: -42.482357
where:
bonds (distance) C4'-P energy: -8.981
bonds (distance) P-C4' energy: -9.929
flat angles C4'-P-C4' energy: -9.998
flat angles P-C4'-P energy: -4.091
tors. eta vs tors. theta energy: -9.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -135.892331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.892331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.892331 (E_RNA)
where:
Base-Base interactions energy: -93.022
where: short stacking energy: -41.157
Base-Backbone interact. energy: -1.338
local terms energy: -41.532749
where:
bonds (distance) C4'-P energy: -9.237
bonds (distance) P-C4' energy: -10.116
flat angles C4'-P-C4' energy: -9.044
flat angles P-C4'-P energy: -4.658
tors. eta vs tors. theta energy: -8.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -115.220136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.220136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.220136 (E_RNA)
where:
Base-Base interactions energy: -82.947
where: short stacking energy: -33.667
Base-Backbone interact. energy: -0.036
local terms energy: -32.237457
where:
bonds (distance) C4'-P energy: -7.118
bonds (distance) P-C4' energy: -7.096
flat angles C4'-P-C4' energy: -6.951
flat angles P-C4'-P energy: -6.193
tors. eta vs tors. theta energy: -4.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -63.957324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.957324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.957324 (E_RNA)
where:
Base-Base interactions energy: -28.004
where: short stacking energy: -28.004
Base-Backbone interact. energy: -0.012
local terms energy: -35.940762
where:
bonds (distance) C4'-P energy: -10.516
bonds (distance) P-C4' energy: -5.640
flat angles C4'-P-C4' energy: -8.271
flat angles P-C4'-P energy: -4.772
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: 10, replica: 6
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -53.113922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.113922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.113922 (E_RNA)
where:
Base-Base interactions energy: -24.583
where: short stacking energy: -21.110
Base-Backbone interact. energy: 4.120
local terms energy: -32.650949
where:
bonds (distance) C4'-P energy: -7.308
bonds (distance) P-C4' energy: -9.799
flat angles C4'-P-C4' energy: -8.382
flat angles P-C4'-P energy: -2.610
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: 1, replica: 9
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -137.422793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.422793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.422793 (E_RNA)
where:
Base-Base interactions energy: -93.274
where: short stacking energy: -41.096
Base-Backbone interact. energy: 0.314
local terms energy: -44.462409
where:
bonds (distance) C4'-P energy: -9.485
bonds (distance) P-C4' energy: -10.094
flat angles C4'-P-C4' energy: -9.479
flat angles P-C4'-P energy: -5.623
tors. eta vs tors. theta energy: -9.782
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: 213
Temperature: 0.950000
Total energy: -143.275430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.275430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.275430 (E_RNA)
where:
Base-Base interactions energy: -93.377
where: short stacking energy: -46.329
Base-Backbone interact. energy: -0.017
local terms energy: -49.881731
where:
bonds (distance) C4'-P energy: -9.663
bonds (distance) P-C4' energy: -9.767
flat angles C4'-P-C4' energy: -10.545
flat angles P-C4'-P energy: -8.431
tors. eta vs tors. theta energy: -11.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -140.214621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.214621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.214621 (E_RNA)
where:
Base-Base interactions energy: -92.557
where: short stacking energy: -41.682
Base-Backbone interact. energy: -2.030
local terms energy: -45.627860
where:
bonds (distance) C4'-P energy: -9.262
bonds (distance) P-C4' energy: -10.423
flat angles C4'-P-C4' energy: -8.900
flat angles P-C4'-P energy: -8.352
tors. eta vs tors. theta energy: -8.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -136.232290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.232290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.232290 (E_RNA)
where:
Base-Base interactions energy: -89.411
where: short stacking energy: -40.891
Base-Backbone interact. energy: -0.885
local terms energy: -45.936178
where:
bonds (distance) C4'-P energy: -10.161
bonds (distance) P-C4' energy: -11.071
flat angles C4'-P-C4' energy: -9.129
flat angles P-C4'-P energy: -7.218
tors. eta vs tors. theta energy: -8.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -136.850729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.850729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.850729 (E_RNA)
where:
Base-Base interactions energy: -88.917
where: short stacking energy: -40.574
Base-Backbone interact. energy: -1.465
local terms energy: -46.468022
where:
bonds (distance) C4'-P energy: -10.632
bonds (distance) P-C4' energy: -7.872
flat angles C4'-P-C4' energy: -7.997
flat angles P-C4'-P energy: -8.499
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: 6, replica: 10
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -130.610641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.610641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.610641 (E_RNA)
where:
Base-Base interactions energy: -89.241
where: short stacking energy: -38.854
Base-Backbone interact. energy: -0.609
local terms energy: -40.760759
where:
bonds (distance) C4'-P energy: -9.142
bonds (distance) P-C4' energy: -10.215
flat angles C4'-P-C4' energy: -8.572
flat angles P-C4'-P energy: -5.011
tors. eta vs tors. theta energy: -7.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -128.421511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.421511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.421511 (E_RNA)
where:
Base-Base interactions energy: -90.579
where: short stacking energy: -36.976
Base-Backbone interact. energy: -0.288
local terms energy: -37.554586
where:
bonds (distance) C4'-P energy: -5.447
bonds (distance) P-C4' energy: -10.591
flat angles C4'-P-C4' energy: -9.633
flat angles P-C4'-P energy: -3.901
tors. eta vs tors. theta energy: -7.983
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: 3
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -126.409674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.409674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.409674 (E_RNA)
where:
Base-Base interactions energy: -91.520
where: short stacking energy: -38.836
Base-Backbone interact. energy: -0.675
local terms energy: -34.214295
where:
bonds (distance) C4'-P energy: -9.867
bonds (distance) P-C4' energy: -3.658
flat angles C4'-P-C4' energy: -6.867
flat angles P-C4'-P energy: -7.370
tors. eta vs tors. theta energy: -6.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -58.005695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.005695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.005695 (E_RNA)
where:
Base-Base interactions energy: -21.253
where: short stacking energy: -21.253
Base-Backbone interact. energy: -0.052
local terms energy: -36.700700
where:
bonds (distance) C4'-P energy: -10.524
bonds (distance) P-C4' energy: -9.345
flat angles C4'-P-C4' energy: -7.928
flat angles P-C4'-P energy: -6.472
tors. eta vs tors. theta energy: -2.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -50.637822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.637822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.637822 (E_RNA)
where:
Base-Base interactions energy: -19.841
where: short stacking energy: -15.473
Base-Backbone interact. energy: -0.032
local terms energy: -30.764539
where:
bonds (distance) C4'-P energy: -7.408
bonds (distance) P-C4' energy: -10.684
flat angles C4'-P-C4' energy: -4.970
flat angles P-C4'-P energy: -5.050
tors. eta vs tors. theta energy: -2.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -143.661728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.661728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.661728 (E_RNA)
where:
Base-Base interactions energy: -100.998
where: short stacking energy: -47.479
Base-Backbone interact. energy: -0.002
local terms energy: -42.661720
where:
bonds (distance) C4'-P energy: -7.383
bonds (distance) P-C4' energy: -10.426
flat angles C4'-P-C4' energy: -9.827
flat angles P-C4'-P energy: -6.584
tors. eta vs tors. theta energy: -8.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -138.548312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.548312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.548312 (E_RNA)
where:
Base-Base interactions energy: -93.316
where: short stacking energy: -46.391
Base-Backbone interact. energy: -0.008
local terms energy: -45.224391
where:
bonds (distance) C4'-P energy: -7.524
bonds (distance) P-C4' energy: -7.617
flat angles C4'-P-C4' energy: -11.167
flat angles P-C4'-P energy: -8.444
tors. eta vs tors. theta energy: -10.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -141.830245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.830245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.830245 (E_RNA)
where:
Base-Base interactions energy: -95.323
where: short stacking energy: -46.332
Base-Backbone interact. energy: -0.216
local terms energy: -46.291546
where:
bonds (distance) C4'-P energy: -9.441
bonds (distance) P-C4' energy: -10.634
flat angles C4'-P-C4' energy: -10.976
flat angles P-C4'-P energy: -4.542
tors. eta vs tors. theta energy: -10.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -138.098774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.098774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.098774 (E_RNA)
where:
Base-Base interactions energy: -91.008
where: short stacking energy: -40.238
Base-Backbone interact. energy: -1.902
local terms energy: -45.189043
where:
bonds (distance) C4'-P energy: -8.790
bonds (distance) P-C4' energy: -9.570
flat angles C4'-P-C4' energy: -9.122
flat angles P-C4'-P energy: -8.802
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: 5, replica: 10
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -133.062866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.062866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.062866 (E_RNA)
where:
Base-Base interactions energy: -87.187
where: short stacking energy: -37.975
Base-Backbone interact. energy: -2.324
local terms energy: -43.552292
where:
bonds (distance) C4'-P energy: -8.666
bonds (distance) P-C4' energy: -6.023
flat angles C4'-P-C4' energy: -10.647
flat angles P-C4'-P energy: -8.292
tors. eta vs tors. theta energy: -9.924
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: 8
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -131.289325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.289325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.289325 (E_RNA)
where:
Base-Base interactions energy: -87.387
where: short stacking energy: -37.699
Base-Backbone interact. energy: -1.336
local terms energy: -42.565757
where:
bonds (distance) C4'-P energy: -8.935
bonds (distance) P-C4' energy: -10.088
flat angles C4'-P-C4' energy: -8.034
flat angles P-C4'-P energy: -7.891
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: 7, replica: 3
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -132.882646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.882646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.882646 (E_RNA)
where:
Base-Base interactions energy: -99.201
where: short stacking energy: -47.205
Base-Backbone interact. energy: -0.058
local terms energy: -33.624022
where:
bonds (distance) C4'-P energy: -7.167
bonds (distance) P-C4' energy: -6.754
flat angles C4'-P-C4' energy: -7.560
flat angles P-C4'-P energy: -3.397
tors. eta vs tors. theta energy: -8.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -124.069877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.069877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.069877 (E_RNA)
where:
Base-Base interactions energy: -81.396
where: short stacking energy: -32.417
Base-Backbone interact. energy: -0.814
local terms energy: -41.860213
where:
bonds (distance) C4'-P energy: -9.519
bonds (distance) P-C4' energy: -9.799
flat angles C4'-P-C4' energy: -8.779
flat angles P-C4'-P energy: -6.441
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: 9, replica: 6
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -59.033161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.033161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.033161 (E_RNA)
where:
Base-Base interactions energy: -36.940
where: short stacking energy: -14.898
Base-Backbone interact. energy: 0.692
local terms energy: -22.785294
where:
bonds (distance) C4'-P energy: -5.399
bonds (distance) P-C4' energy: -7.777
flat angles C4'-P-C4' energy: -6.815
flat angles P-C4'-P energy: -3.752
tors. eta vs tors. theta energy: 0.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -58.967144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.967144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.967144 (E_RNA)
where:
Base-Base interactions energy: -26.186
where: short stacking energy: -26.186
Base-Backbone interact. energy: 0.442
local terms energy: -33.223284
where:
bonds (distance) C4'-P energy: -8.128
bonds (distance) P-C4' energy: -6.329
flat angles C4'-P-C4' energy: -8.648
flat angles P-C4'-P energy: -6.298
tors. eta vs tors. theta energy: -3.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -140.280050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.280050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.280050 (E_RNA)
where:
Base-Base interactions energy: -93.338
where: short stacking energy: -41.799
Base-Backbone interact. energy: -0.032
local terms energy: -46.909386
where:
bonds (distance) C4'-P energy: -9.477
bonds (distance) P-C4' energy: -10.884
flat angles C4'-P-C4' energy: -9.953
flat angles P-C4'-P energy: -6.603
tors. eta vs tors. theta energy: -9.993
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: 1
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -140.602505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.602505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.602505 (E_RNA)
where:
Base-Base interactions energy: -97.264
where: short stacking energy: -47.556
Base-Backbone interact. energy: -0.010
local terms energy: -43.328204
where:
bonds (distance) C4'-P energy: -8.360
bonds (distance) P-C4' energy: -7.211
flat angles C4'-P-C4' energy: -10.621
flat angles P-C4'-P energy: -6.428
tors. eta vs tors. theta energy: -10.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -139.014929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.014929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.014929 (E_RNA)
where:
Base-Base interactions energy: -99.258
where: short stacking energy: -39.198
Base-Backbone interact. energy: -0.045
local terms energy: -39.711208
where:
bonds (distance) C4'-P energy: -7.916
bonds (distance) P-C4' energy: -9.689
flat angles C4'-P-C4' energy: -9.598
flat angles P-C4'-P energy: -1.649
tors. eta vs tors. theta energy: -10.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -139.319365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.319365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.319365 (E_RNA)
where:
Base-Base interactions energy: -94.522
where: short stacking energy: -44.052
Base-Backbone interact. energy: -0.450
local terms energy: -44.347579
where:
bonds (distance) C4'-P energy: -10.061
bonds (distance) P-C4' energy: -8.802
flat angles C4'-P-C4' energy: -8.397
flat angles P-C4'-P energy: -6.434
tors. eta vs tors. theta energy: -10.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -130.201329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.201329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.201329 (E_RNA)
where:
Base-Base interactions energy: -92.985
where: short stacking energy: -39.779
Base-Backbone interact. energy: -0.233
local terms energy: -36.983419
where:
bonds (distance) C4'-P energy: -8.526
bonds (distance) P-C4' energy: -9.295
flat angles C4'-P-C4' energy: -5.987
flat angles P-C4'-P energy: -5.148
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: 6, replica: 3
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -123.173789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.173789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.173789 (E_RNA)
where:
Base-Base interactions energy: -83.778
where: short stacking energy: -40.146
Base-Backbone interact. energy: 0.018
local terms energy: -39.414319
where:
bonds (distance) C4'-P energy: -8.526
bonds (distance) P-C4' energy: -6.259
flat angles C4'-P-C4' energy: -10.770
flat angles P-C4'-P energy: -5.367
tors. eta vs tors. theta energy: -8.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -124.865456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.865456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.865456 (E_RNA)
where:
Base-Base interactions energy: -89.714
where: short stacking energy: -40.837
Base-Backbone interact. energy: -0.001
local terms energy: -35.150502
where:
bonds (distance) C4'-P energy: -6.062
bonds (distance) P-C4' energy: -5.287
flat angles C4'-P-C4' energy: -9.208
flat angles P-C4'-P energy: -3.782
tors. eta vs tors. theta energy: -10.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -132.131572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.131572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.131572 (E_RNA)
where:
Base-Base interactions energy: -97.937
where: short stacking energy: -37.408
Base-Backbone interact. energy: -0.024
local terms energy: -34.170680
where:
bonds (distance) C4'-P energy: -7.726
bonds (distance) P-C4' energy: -8.189
flat angles C4'-P-C4' energy: -9.917
flat angles P-C4'-P energy: 0.838
tors. eta vs tors. theta energy: -9.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -61.382407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.382407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.382407 (E_RNA)
where:
Base-Base interactions energy: -25.004
where: short stacking energy: -24.008
Base-Backbone interact. energy: -0.206
local terms energy: -36.172119
where:
bonds (distance) C4'-P energy: -9.717
bonds (distance) P-C4' energy: -10.444
flat angles C4'-P-C4' energy: -8.970
flat angles P-C4'-P energy: -4.925
tors. eta vs tors. theta energy: -2.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -58.048297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.048297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.048297 (E_RNA)
where:
Base-Base interactions energy: -24.937
where: short stacking energy: -21.480
Base-Backbone interact. energy: 0.007
local terms energy: -33.117604
where:
bonds (distance) C4'-P energy: -8.890
bonds (distance) P-C4' energy: -10.186
flat angles C4'-P-C4' energy: -9.472
flat angles P-C4'-P energy: -2.527
tors. eta vs tors. theta energy: -2.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -140.391385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.391385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.391385 (E_RNA)
where:
Base-Base interactions energy: -95.075
where: short stacking energy: -44.365
Base-Backbone interact. energy: -0.318
local terms energy: -44.998850
where:
bonds (distance) C4'-P energy: -9.027
bonds (distance) P-C4' energy: -10.138
flat angles C4'-P-C4' energy: -9.561
flat angles P-C4'-P energy: -4.938
tors. eta vs tors. theta energy: -11.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -138.795146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.795146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.795146 (E_RNA)
where:
Base-Base interactions energy: -96.321
where: short stacking energy: -43.062
Base-Backbone interact. energy: -0.960
local terms energy: -41.514358
where:
bonds (distance) C4'-P energy: -9.033
bonds (distance) P-C4' energy: -9.377
flat angles C4'-P-C4' energy: -6.753
flat angles P-C4'-P energy: -5.062
tors. eta vs tors. theta energy: -11.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -135.842712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.842712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.842712 (E_RNA)
where:
Base-Base interactions energy: -96.721
where: short stacking energy: -44.524
Base-Backbone interact. energy: -0.778
local terms energy: -38.343248
where:
bonds (distance) C4'-P energy: -3.636
bonds (distance) P-C4' energy: -6.938
flat angles C4'-P-C4' energy: -9.016
flat angles P-C4'-P energy: -8.849
tors. eta vs tors. theta energy: -9.905
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: 216
Temperature: 1.050000
Total energy: -135.931297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.931297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.931297 (E_RNA)
where:
Base-Base interactions energy: -91.185
where: short stacking energy: -42.495
Base-Backbone interact. energy: -0.578
local terms energy: -44.168157
where:
bonds (distance) C4'-P energy: -8.679
bonds (distance) P-C4' energy: -8.566
flat angles C4'-P-C4' energy: -9.384
flat angles P-C4'-P energy: -6.922
tors. eta vs tors. theta energy: -10.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -128.495359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.495359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.495359 (E_RNA)
where:
Base-Base interactions energy: -84.230
where: short stacking energy: -35.167
Base-Backbone interact. energy: -0.012
local terms energy: -44.253871
where:
bonds (distance) C4'-P energy: -9.503
bonds (distance) P-C4' energy: -9.939
flat angles C4'-P-C4' energy: -11.240
flat angles P-C4'-P energy: -5.531
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: 6, replica: 10
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -131.157942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.157942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.157942 (E_RNA)
where:
Base-Base interactions energy: -87.291
where: short stacking energy: -36.983
Base-Backbone interact. energy: -1.439
local terms energy: -42.427321
where:
bonds (distance) C4'-P energy: -8.658
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -8.796
flat angles P-C4'-P energy: -8.757
tors. eta vs tors. theta energy: -9.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -130.192279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.192279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.192279 (E_RNA)
where:
Base-Base interactions energy: -90.738
where: short stacking energy: -38.614
Base-Backbone interact. energy: -1.371
local terms energy: -38.084189
where:
bonds (distance) C4'-P energy: -7.246
bonds (distance) P-C4' energy: -6.991
flat angles C4'-P-C4' energy: -7.548
flat angles P-C4'-P energy: -7.715
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: 8, replica: 8
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -126.399246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.399246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.399246 (E_RNA)
where:
Base-Base interactions energy: -88.671
where: short stacking energy: -38.848
Base-Backbone interact. energy: -1.375
local terms energy: -36.353015
where:
bonds (distance) C4'-P energy: -5.487
bonds (distance) P-C4' energy: -9.873
flat angles C4'-P-C4' energy: -8.070
flat angles P-C4'-P energy: -4.874
tors. eta vs tors. theta energy: -8.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -56.050401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.050401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.050401 (E_RNA)
where:
Base-Base interactions energy: -24.994
where: short stacking energy: -24.994
Base-Backbone interact. energy: -0.003
local terms energy: -31.052867
where:
bonds (distance) C4'-P energy: -10.223
bonds (distance) P-C4' energy: -8.301
flat angles C4'-P-C4' energy: -2.721
flat angles P-C4'-P energy: -6.379
tors. eta vs tors. theta energy: -3.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -58.905262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.905262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.905262 (E_RNA)
where:
Base-Base interactions energy: -27.387
where: short stacking energy: -24.942
Base-Backbone interact. energy: -0.042
local terms energy: -31.476405
where:
bonds (distance) C4'-P energy: -8.120
bonds (distance) P-C4' energy: -4.787
flat angles C4'-P-C4' energy: -7.936
flat angles P-C4'-P energy: -7.769
tors. eta vs tors. theta energy: -2.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -141.709668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.709668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.709668 (E_RNA)
where:
Base-Base interactions energy: -91.724
where: short stacking energy: -43.227
Base-Backbone interact. energy: -0.854
local terms energy: -49.131674
where:
bonds (distance) C4'-P energy: -9.644
bonds (distance) P-C4' energy: -11.597
flat angles C4'-P-C4' energy: -10.770
flat angles P-C4'-P energy: -5.807
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: 2, replica: 9
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -143.610851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.610851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.610851 (E_RNA)
where:
Base-Base interactions energy: -96.510
where: short stacking energy: -44.326
Base-Backbone interact. energy: -0.414
local terms energy: -46.686632
where:
bonds (distance) C4'-P energy: -10.153
bonds (distance) P-C4' energy: -10.873
flat angles C4'-P-C4' energy: -7.915
flat angles P-C4'-P energy: -7.621
tors. eta vs tors. theta energy: -10.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -140.513320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.513320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.513320 (E_RNA)
where:
Base-Base interactions energy: -95.090
where: short stacking energy: -45.616
Base-Backbone interact. energy: -1.305
local terms energy: -44.118427
where:
bonds (distance) C4'-P energy: -7.734
bonds (distance) P-C4' energy: -11.075
flat angles C4'-P-C4' energy: -8.177
flat angles P-C4'-P energy: -6.892
tors. eta vs tors. theta energy: -10.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -138.250961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.250961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.250961 (E_RNA)
where:
Base-Base interactions energy: -98.529
where: short stacking energy: -40.910
Base-Backbone interact. energy: -0.614
local terms energy: -39.107503
where:
bonds (distance) C4'-P energy: -9.867
bonds (distance) P-C4' energy: -7.883
flat angles C4'-P-C4' energy: -5.640
flat angles P-C4'-P energy: -5.123
tors. eta vs tors. theta energy: -10.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -132.683014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.683014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.683014 (E_RNA)
where:
Base-Base interactions energy: -95.787
where: short stacking energy: -44.317
Base-Backbone interact. energy: -0.540
local terms energy: -36.356328
where:
bonds (distance) C4'-P energy: -7.291
bonds (distance) P-C4' energy: -7.368
flat angles C4'-P-C4' energy: -8.849
flat angles P-C4'-P energy: -4.523
tors. eta vs tors. theta energy: -8.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -131.901782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.901782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.901782 (E_RNA)
where:
Base-Base interactions energy: -87.506
where: short stacking energy: -34.779
Base-Backbone interact. energy: -1.322
local terms energy: -43.073667
where:
bonds (distance) C4'-P energy: -9.440
bonds (distance) P-C4' energy: -7.926
flat angles C4'-P-C4' energy: -10.729
flat angles P-C4'-P energy: -6.073
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: 7, replica: 10
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -128.760169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.760169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.760169 (E_RNA)
where:
Base-Base interactions energy: -85.248
where: short stacking energy: -36.091
Base-Backbone interact. energy: -0.000
local terms energy: -43.511961
where:
bonds (distance) C4'-P energy: -10.330
bonds (distance) P-C4' energy: -8.236
flat angles C4'-P-C4' energy: -8.698
flat angles P-C4'-P energy: -5.398
tors. eta vs tors. theta energy: -10.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -128.048169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.048169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.048169 (E_RNA)
where:
Base-Base interactions energy: -84.845
where: short stacking energy: -37.731
Base-Backbone interact. energy: -1.106
local terms energy: -42.097053
where:
bonds (distance) C4'-P energy: -7.983
bonds (distance) P-C4' energy: -8.672
flat angles C4'-P-C4' energy: -10.563
flat angles P-C4'-P energy: -6.560
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: 9, replica: 7
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -64.299659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.299659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.299659 (E_RNA)
where:
Base-Base interactions energy: -26.954
where: short stacking energy: -26.954
Base-Backbone interact. energy: -0.000
local terms energy: -37.345484
where:
bonds (distance) C4'-P energy: -9.258
bonds (distance) P-C4' energy: -6.047
flat angles C4'-P-C4' energy: -9.286
flat angles P-C4'-P energy: -6.982
tors. eta vs tors. theta energy: -5.772
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: 6
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -64.828285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.828285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.828285 (E_RNA)
where:
Base-Base interactions energy: -33.707
where: short stacking energy: -27.451
Base-Backbone interact. energy: -0.004
local terms energy: -31.118136
where:
bonds (distance) C4'-P energy: -8.410
bonds (distance) P-C4' energy: -5.011
flat angles C4'-P-C4' energy: -9.786
flat angles P-C4'-P energy: -5.192
tors. eta vs tors. theta energy: -2.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -143.741063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.741063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.741063 (E_RNA)
where:
Base-Base interactions energy: -96.303
where: short stacking energy: -44.851
Base-Backbone interact. energy: -1.581
local terms energy: -45.856735
where:
bonds (distance) C4'-P energy: -8.334
bonds (distance) P-C4' energy: -9.957
flat angles C4'-P-C4' energy: -10.018
flat angles P-C4'-P energy: -7.178
tors. eta vs tors. theta energy: -10.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -139.578257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.578257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.578257 (E_RNA)
where:
Base-Base interactions energy: -95.419
where: short stacking energy: -46.568
Base-Backbone interact. energy: -0.657
local terms energy: -43.501928
where:
bonds (distance) C4'-P energy: -8.981
bonds (distance) P-C4' energy: -7.877
flat angles C4'-P-C4' energy: -10.093
flat angles P-C4'-P energy: -7.763
tors. eta vs tors. theta energy: -8.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -138.504262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.504262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.504262 (E_RNA)
where:
Base-Base interactions energy: -90.302
where: short stacking energy: -44.978
Base-Backbone interact. energy: -0.015
local terms energy: -48.187456
where:
bonds (distance) C4'-P energy: -9.113
bonds (distance) P-C4' energy: -10.057
flat angles C4'-P-C4' energy: -10.182
flat angles P-C4'-P energy: -6.645
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: 4, replica: 4
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -136.766249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.766249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.766249 (E_RNA)
where:
Base-Base interactions energy: -99.763
where: short stacking energy: -40.127
Base-Backbone interact. energy: -0.016
local terms energy: -36.987215
where:
bonds (distance) C4'-P energy: -7.143
bonds (distance) P-C4' energy: -10.458
flat angles C4'-P-C4' energy: -7.440
flat angles P-C4'-P energy: -3.586
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: 5, replica: 5
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -129.947713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.947713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.947713 (E_RNA)
where:
Base-Base interactions energy: -86.472
where: short stacking energy: -37.984
Base-Backbone interact. energy: -0.261
local terms energy: -43.214461
where:
bonds (distance) C4'-P energy: -9.254
bonds (distance) P-C4' energy: -10.429
flat angles C4'-P-C4' energy: -8.685
flat angles P-C4'-P energy: -4.631
tors. eta vs tors. theta energy: -10.216
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: 2
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -128.725022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.725022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.725022 (E_RNA)
where:
Base-Base interactions energy: -94.312
where: short stacking energy: -28.268
Base-Backbone interact. energy: -0.781
local terms energy: -33.632161
where:
bonds (distance) C4'-P energy: -7.746
bonds (distance) P-C4' energy: -8.052
flat angles C4'-P-C4' energy: -8.594
flat angles P-C4'-P energy: -2.871
tors. eta vs tors. theta energy: -6.370
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: 8
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -124.121468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.121468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.121468 (E_RNA)
where:
Base-Base interactions energy: -83.868
where: short stacking energy: -41.270
Base-Backbone interact. energy: -0.037
local terms energy: -40.215742
where:
bonds (distance) C4'-P energy: -7.640
bonds (distance) P-C4' energy: -9.905
flat angles C4'-P-C4' energy: -9.598
flat angles P-C4'-P energy: -5.778
tors. eta vs tors. theta energy: -7.295
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: 8, replica: 10
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -123.111152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.111152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.111152 (E_RNA)
where:
Base-Base interactions energy: -80.920
where: short stacking energy: -33.998
Base-Backbone interact. energy: -1.860
local terms energy: -40.331559
where:
bonds (distance) C4'-P energy: -9.830
bonds (distance) P-C4' energy: -9.348
flat angles C4'-P-C4' energy: -7.410
flat angles P-C4'-P energy: -7.302
tors. eta vs tors. theta energy: -6.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -60.954519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.954519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.954519 (E_RNA)
where:
Base-Base interactions energy: -22.565
where: short stacking energy: -20.447
Base-Backbone interact. energy: -0.002
local terms energy: -38.386632
where:
bonds (distance) C4'-P energy: -9.357
bonds (distance) P-C4' energy: -9.020
flat angles C4'-P-C4' energy: -7.868
flat angles P-C4'-P energy: -3.858
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: 10, replica: 7
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -63.589660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.589660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.589660 (E_RNA)
where:
Base-Base interactions energy: -25.870
where: short stacking energy: -25.870
Base-Backbone interact. energy: -0.000
local terms energy: -37.719112
where:
bonds (distance) C4'-P energy: -9.911
bonds (distance) P-C4' energy: -8.697
flat angles C4'-P-C4' energy: -8.987
flat angles P-C4'-P energy: -5.634
tors. eta vs tors. theta energy: -4.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -143.610940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.610940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.610940 (E_RNA)
where:
Base-Base interactions energy: -95.430
where: short stacking energy: -47.017
Base-Backbone interact. energy: -0.300
local terms energy: -47.880978
where:
bonds (distance) C4'-P energy: -9.204
bonds (distance) P-C4' energy: -10.616
flat angles C4'-P-C4' energy: -10.718
flat angles P-C4'-P energy: -7.850
tors. eta vs tors. theta energy: -9.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -139.424092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.424092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.424092 (E_RNA)
where:
Base-Base interactions energy: -93.395
where: short stacking energy: -42.858
Base-Backbone interact. energy: -0.007
local terms energy: -46.022569
where:
bonds (distance) C4'-P energy: -10.632
bonds (distance) P-C4' energy: -10.436
flat angles C4'-P-C4' energy: -9.937
flat angles P-C4'-P energy: -5.244
tors. eta vs tors. theta energy: -9.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -136.073176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.073176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.073176 (E_RNA)
where:
Base-Base interactions energy: -94.889
where: short stacking energy: -44.801
Base-Backbone interact. energy: -0.501
local terms energy: -40.683800
where:
bonds (distance) C4'-P energy: -8.820
bonds (distance) P-C4' energy: -8.978
flat angles C4'-P-C4' energy: -6.934
flat angles P-C4'-P energy: -6.770
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: 4, replica: 5
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -132.643668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.643668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.643668 (E_RNA)
where:
Base-Base interactions energy: -88.555
where: short stacking energy: -41.432
Base-Backbone interact. energy: -0.001
local terms energy: -44.087135
where:
bonds (distance) C4'-P energy: -8.182
bonds (distance) P-C4' energy: -8.889
flat angles C4'-P-C4' energy: -9.726
flat angles P-C4'-P energy: -7.105
tors. eta vs tors. theta energy: -10.185
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: 4
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -137.084098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.084098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.084098 (E_RNA)
where:
Base-Base interactions energy: -94.410
where: short stacking energy: -44.499
Base-Backbone interact. energy: -0.027
local terms energy: -42.647273
where:
bonds (distance) C4'-P energy: -10.045
bonds (distance) P-C4' energy: -9.295
flat angles C4'-P-C4' energy: -8.965
flat angles P-C4'-P energy: -3.419
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: 6, replica: 8
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -136.577825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.577825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.577825 (E_RNA)
where:
Base-Base interactions energy: -93.714
where: short stacking energy: -43.738
Base-Backbone interact. energy: -0.918
local terms energy: -41.946033
where:
bonds (distance) C4'-P energy: -6.493
bonds (distance) P-C4' energy: -9.672
flat angles C4'-P-C4' energy: -8.690
flat angles P-C4'-P energy: -7.479
tors. eta vs tors. theta energy: -9.611
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: 2
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -80.941135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.941135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.941135 (E_RNA)
where:
Base-Base interactions energy: -47.973
where: short stacking energy: -27.960
Base-Backbone interact. energy: -0.065
local terms energy: -32.903880
where:
bonds (distance) C4'-P energy: -6.956
bonds (distance) P-C4' energy: -8.337
flat angles C4'-P-C4' energy: -9.648
flat angles P-C4'-P energy: -4.692
tors. eta vs tors. theta energy: -3.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -135.398547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.398547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.398547 (E_RNA)
where:
Base-Base interactions energy: -92.180
where: short stacking energy: -44.161
Base-Backbone interact. energy: -0.572
local terms energy: -42.646118
where:
bonds (distance) C4'-P energy: -9.175
bonds (distance) P-C4' energy: -8.876
flat angles C4'-P-C4' energy: -9.502
flat angles P-C4'-P energy: -6.920
tors. eta vs tors. theta energy: -8.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -61.827572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.827572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.827572 (E_RNA)
where:
Base-Base interactions energy: -26.878
where: short stacking energy: -25.853
Base-Backbone interact. energy: -0.228
local terms energy: -34.721997
where:
bonds (distance) C4'-P energy: -8.509
bonds (distance) P-C4' energy: -10.849
flat angles C4'-P-C4' energy: -5.259
flat angles P-C4'-P energy: -7.114
tors. eta vs tors. theta energy: -2.992
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: 7
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -60.771204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.771204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.771204 (E_RNA)
where:
Base-Base interactions energy: -31.884
where: short stacking energy: -25.156
Base-Backbone interact. energy: -0.002
local terms energy: -28.885129
where:
bonds (distance) C4'-P energy: -3.587
bonds (distance) P-C4' energy: -8.483
flat angles C4'-P-C4' energy: -5.145
flat angles P-C4'-P energy: -6.828
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: 1, replica: 3
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -138.944689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.944689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.944689 (E_RNA)
where:
Base-Base interactions energy: -94.329
where: short stacking energy: -45.813
Base-Backbone interact. energy: -0.006
local terms energy: -44.610458
where:
bonds (distance) C4'-P energy: -9.299
bonds (distance) P-C4' energy: -8.879
flat angles C4'-P-C4' energy: -8.942
flat angles P-C4'-P energy: -6.614
tors. eta vs tors. theta energy: -10.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -139.863023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.863023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.863023 (E_RNA)
where:
Base-Base interactions energy: -94.322
where: short stacking energy: -44.343
Base-Backbone interact. energy: -1.130
local terms energy: -44.411421
where:
bonds (distance) C4'-P energy: -7.933
bonds (distance) P-C4' energy: -11.078
flat angles C4'-P-C4' energy: -7.628
flat angles P-C4'-P energy: -6.518
tors. eta vs tors. theta energy: -11.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -137.800871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.800871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.800871 (E_RNA)
where:
Base-Base interactions energy: -95.088
where: short stacking energy: -43.546
Base-Backbone interact. energy: -1.256
local terms energy: -41.456586
where:
bonds (distance) C4'-P energy: -7.437
bonds (distance) P-C4' energy: -9.059
flat angles C4'-P-C4' energy: -9.946
flat angles P-C4'-P energy: -5.219
tors. eta vs tors. theta energy: -9.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -134.518405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.518405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.518405 (E_RNA)
where:
Base-Base interactions energy: -94.340
where: short stacking energy: -45.068
Base-Backbone interact. energy: -0.009
local terms energy: -40.169440
where:
bonds (distance) C4'-P energy: -7.991
bonds (distance) P-C4' energy: -8.423
flat angles C4'-P-C4' energy: -10.904
flat angles P-C4'-P energy: -4.134
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: 5, replica: 8
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -135.268505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.268505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.268505 (E_RNA)
where:
Base-Base interactions energy: -94.378
where: short stacking energy: -44.859
Base-Backbone interact. energy: -0.769
local terms energy: -40.121362
where:
bonds (distance) C4'-P energy: -6.779
bonds (distance) P-C4' energy: -6.383
flat angles C4'-P-C4' energy: -10.495
flat angles P-C4'-P energy: -7.746
tors. eta vs tors. theta energy: -8.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -134.169611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.169611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.169611 (E_RNA)
where:
Base-Base interactions energy: -91.354
where: short stacking energy: -38.023
Base-Backbone interact. energy: 0.348
local terms energy: -43.163627
where:
bonds (distance) C4'-P energy: -7.469
bonds (distance) P-C4' energy: -9.647
flat angles C4'-P-C4' energy: -9.685
flat angles P-C4'-P energy: -6.531
tors. eta vs tors. theta energy: -9.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -129.559323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.559323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.559323 (E_RNA)
where:
Base-Base interactions energy: -90.879
where: short stacking energy: -42.181
Base-Backbone interact. energy: -0.001
local terms energy: -38.679175
where:
bonds (distance) C4'-P energy: -6.828
bonds (distance) P-C4' energy: -9.174
flat angles C4'-P-C4' energy: -6.988
flat angles P-C4'-P energy: -7.406
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: 2
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -67.040911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.040911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.040911 (E_RNA)
where:
Base-Base interactions energy: -33.815
where: short stacking energy: -29.693
Base-Backbone interact. energy: -0.006
local terms energy: -33.220751
where:
bonds (distance) C4'-P energy: -6.625
bonds (distance) P-C4' energy: -10.680
flat angles C4'-P-C4' energy: -5.504
flat angles P-C4'-P energy: -5.694
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: 9, replica: 6
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -64.001322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.001322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.001322 (E_RNA)
where:
Base-Base interactions energy: -36.603
where: short stacking energy: -30.602
Base-Backbone interact. energy: -0.034
local terms energy: -27.364567
where:
bonds (distance) C4'-P energy: -6.033
bonds (distance) P-C4' energy: -9.563
flat angles C4'-P-C4' energy: -8.841
flat angles P-C4'-P energy: -1.280
tors. eta vs tors. theta energy: -1.648
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: 220
Temperature: 1.350000
Total energy: -68.789998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.789998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.789998 (E_RNA)
where:
Base-Base interactions energy: -43.088
where: short stacking energy: -32.591
Base-Backbone interact. energy: -0.395
local terms energy: -25.307551
where:
bonds (distance) C4'-P energy: -6.450
bonds (distance) P-C4' energy: -7.840
flat angles C4'-P-C4' energy: -6.933
flat angles P-C4'-P energy: -1.766
tors. eta vs tors. theta energy: -2.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -140.463286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.463286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.463286 (E_RNA)
where:
Base-Base interactions energy: -96.123
where: short stacking energy: -43.849
Base-Backbone interact. energy: -0.041
local terms energy: -44.299700
where:
bonds (distance) C4'-P energy: -9.237
bonds (distance) P-C4' energy: -10.140
flat angles C4'-P-C4' energy: -8.951
flat angles P-C4'-P energy: -6.788
tors. eta vs tors. theta energy: -9.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -142.690108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.690108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.690108 (E_RNA)
where:
Base-Base interactions energy: -95.235
where: short stacking energy: -45.916
Base-Backbone interact. energy: -1.395
local terms energy: -46.059812
where:
bonds (distance) C4'-P energy: -8.852
bonds (distance) P-C4' energy: -9.947
flat angles C4'-P-C4' energy: -9.085
flat angles P-C4'-P energy: -8.214
tors. eta vs tors. theta energy: -9.962
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: 1
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -138.756846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.756846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.756846 (E_RNA)
where:
Base-Base interactions energy: -94.857
where: short stacking energy: -46.001
Base-Backbone interact. energy: -1.184
local terms energy: -42.715879
where:
bonds (distance) C4'-P energy: -9.921
bonds (distance) P-C4' energy: -8.042
flat angles C4'-P-C4' energy: -9.840
flat angles P-C4'-P energy: -6.624
tors. eta vs tors. theta energy: -8.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -136.448870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.448870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.448870 (E_RNA)
where:
Base-Base interactions energy: -93.460
where: short stacking energy: -42.768
Base-Backbone interact. energy: -0.636
local terms energy: -42.352459
where:
bonds (distance) C4'-P energy: -6.427
bonds (distance) P-C4' energy: -9.954
flat angles C4'-P-C4' energy: -9.985
flat angles P-C4'-P energy: -5.939
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: 8
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -134.887573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.887573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.887573 (E_RNA)
where:
Base-Base interactions energy: -90.401
where: short stacking energy: -43.862
Base-Backbone interact. energy: -1.295
local terms energy: -43.191609
where:
bonds (distance) C4'-P energy: -7.043
bonds (distance) P-C4' energy: -10.641
flat angles C4'-P-C4' energy: -9.561
flat angles P-C4'-P energy: -5.770
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: 6, replica: 4
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -136.129235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.129235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.129235 (E_RNA)
where:
Base-Base interactions energy: -92.934
where: short stacking energy: -43.815
Base-Backbone interact. energy: -0.588
local terms energy: -42.607294
where:
bonds (distance) C4'-P energy: -9.945
bonds (distance) P-C4' energy: -8.337
flat angles C4'-P-C4' energy: -8.365
flat angles P-C4'-P energy: -5.983
tors. eta vs tors. theta energy: -9.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -129.464957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.464957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.464957 (E_RNA)
where:
Base-Base interactions energy: -85.848
where: short stacking energy: -43.061
Base-Backbone interact. energy: -0.105
local terms energy: -43.511771
where:
bonds (distance) C4'-P energy: -9.014
bonds (distance) P-C4' energy: -9.669
flat angles C4'-P-C4' energy: -8.059
flat angles P-C4'-P energy: -6.542
tors. eta vs tors. theta energy: -10.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -76.276060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.276060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.276060 (E_RNA)
where:
Base-Base interactions energy: -33.398
where: short stacking energy: -30.936
Base-Backbone interact. energy: -0.003
local terms energy: -42.875088
where:
bonds (distance) C4'-P energy: -9.618
bonds (distance) P-C4' energy: -10.859
flat angles C4'-P-C4' energy: -10.266
flat angles P-C4'-P energy: -6.909
tors. eta vs tors. theta energy: -5.222
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: 2
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -62.482801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.482801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.482801 (E_RNA)
where:
Base-Base interactions energy: -30.916
where: short stacking energy: -28.289
Base-Backbone interact. energy: -0.081
local terms energy: -31.486132
where:
bonds (distance) C4'-P energy: -7.383
bonds (distance) P-C4' energy: -8.757
flat angles C4'-P-C4' energy: -4.080
flat angles P-C4'-P energy: -6.132
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: 10, replica: 7
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -56.801149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.801149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.801149 (E_RNA)
where:
Base-Base interactions energy: -21.439
where: short stacking energy: -21.439
Base-Backbone interact. energy: -0.026
local terms energy: -35.336262
where:
bonds (distance) C4'-P energy: -6.587
bonds (distance) P-C4' energy: -8.883
flat angles C4'-P-C4' energy: -7.278
flat angles P-C4'-P energy: -8.773
tors. eta vs tors. theta energy: -3.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -142.611779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.611779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.611779 (E_RNA)
where:
Base-Base interactions energy: -95.667
where: short stacking energy: -44.835
Base-Backbone interact. energy: -0.926
local terms energy: -46.018942
where:
bonds (distance) C4'-P energy: -9.738
bonds (distance) P-C4' energy: -10.226
flat angles C4'-P-C4' energy: -7.659
flat angles P-C4'-P energy: -8.502
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: 2, replica: 3
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -145.808642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.808642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.808642 (E_RNA)
where:
Base-Base interactions energy: -103.579
where: short stacking energy: -46.535
Base-Backbone interact. energy: 0.096
local terms energy: -42.325103
where:
bonds (distance) C4'-P energy: -9.386
bonds (distance) P-C4' energy: -9.274
flat angles C4'-P-C4' energy: -8.611
flat angles P-C4'-P energy: -6.844
tors. eta vs tors. theta energy: -8.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -138.305133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.305133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.305133 (E_RNA)
where:
Base-Base interactions energy: -98.517
where: short stacking energy: -40.611
Base-Backbone interact. energy: -0.001
local terms energy: -39.787984
where:
bonds (distance) C4'-P energy: -8.431
bonds (distance) P-C4' energy: -9.211
flat angles C4'-P-C4' energy: -9.214
flat angles P-C4'-P energy: -1.947
tors. eta vs tors. theta energy: -10.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -139.864172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.864172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.864172 (E_RNA)
where:
Base-Base interactions energy: -94.222
where: short stacking energy: -44.122
Base-Backbone interact. energy: -0.810
local terms energy: -44.832206
where:
bonds (distance) C4'-P energy: -9.200
bonds (distance) P-C4' energy: -9.417
flat angles C4'-P-C4' energy: -7.230
flat angles P-C4'-P energy: -8.802
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: 5, replica: 8
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -132.237104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.237104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.237104 (E_RNA)
where:
Base-Base interactions energy: -90.577
where: short stacking energy: -43.747
Base-Backbone interact. energy: -0.610
local terms energy: -41.050784
where:
bonds (distance) C4'-P energy: -9.209
bonds (distance) P-C4' energy: -8.700
flat angles C4'-P-C4' energy: -9.620
flat angles P-C4'-P energy: -7.110
tors. eta vs tors. theta energy: -6.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -134.813985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.813985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.813985 (E_RNA)
where:
Base-Base interactions energy: -90.184
where: short stacking energy: -41.392
Base-Backbone interact. energy: -1.293
local terms energy: -43.336905
where:
bonds (distance) C4'-P energy: -9.060
bonds (distance) P-C4' energy: -10.230
flat angles C4'-P-C4' energy: -9.393
flat angles P-C4'-P energy: -6.083
tors. eta vs tors. theta energy: -8.571
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: 6
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -63.370771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.370771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.370771 (E_RNA)
where:
Base-Base interactions energy: -32.770
where: short stacking energy: -29.122
Base-Backbone interact. energy: -0.023
local terms energy: -30.577320
where:
bonds (distance) C4'-P energy: -5.445
bonds (distance) P-C4' energy: -8.858
flat angles C4'-P-C4' energy: -7.363
flat angles P-C4'-P energy: -4.051
tors. eta vs tors. theta energy: -4.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -125.309293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.309293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.309293 (E_RNA)
where:
Base-Base interactions energy: -85.561
where: short stacking energy: -35.129
Base-Backbone interact. energy: -0.008
local terms energy: -39.740769
where:
bonds (distance) C4'-P energy: -10.533
bonds (distance) P-C4' energy: -7.125
flat angles C4'-P-C4' energy: -7.706
flat angles P-C4'-P energy: -8.100
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: 9, replica: 2
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -52.325644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.325644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.325644 (E_RNA)
where:
Base-Base interactions energy: -21.282
where: short stacking energy: -21.282
Base-Backbone interact. energy: -0.001
local terms energy: -31.042692
where:
bonds (distance) C4'-P energy: -9.813
bonds (distance) P-C4' energy: -8.836
flat angles C4'-P-C4' energy: -6.989
flat angles P-C4'-P energy: -1.953
tors. eta vs tors. theta energy: -3.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -63.448697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.448697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.448697 (E_RNA)
where:
Base-Base interactions energy: -30.337
where: short stacking energy: -20.536
Base-Backbone interact. energy: -0.217
local terms energy: -32.894728
where:
bonds (distance) C4'-P energy: -6.990
bonds (distance) P-C4' energy: -9.969
flat angles C4'-P-C4' energy: -8.500
flat angles P-C4'-P energy: -2.353
tors. eta vs tors. theta energy: -5.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -141.585245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.585245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.585245 (E_RNA)
where:
Base-Base interactions energy: -98.360
where: short stacking energy: -48.653
Base-Backbone interact. energy: 0.969
local terms energy: -44.193924
where:
bonds (distance) C4'-P energy: -8.935
bonds (distance) P-C4' energy: -8.301
flat angles C4'-P-C4' energy: -10.813
flat angles P-C4'-P energy: -6.066
tors. eta vs tors. theta energy: -10.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -141.925848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.925848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.925848 (E_RNA)
where:
Base-Base interactions energy: -97.721
where: short stacking energy: -44.900
Base-Backbone interact. energy: -0.082
local terms energy: -44.122256
where:
bonds (distance) C4'-P energy: -8.268
bonds (distance) P-C4' energy: -9.379
flat angles C4'-P-C4' energy: -10.232
flat angles P-C4'-P energy: -6.283
tors. eta vs tors. theta energy: -9.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -135.335129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.335129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.335129 (E_RNA)
where:
Base-Base interactions energy: -91.673
where: short stacking energy: -39.115
Base-Backbone interact. energy: -0.011
local terms energy: -43.651002
where:
bonds (distance) C4'-P energy: -6.112
bonds (distance) P-C4' energy: -10.444
flat angles C4'-P-C4' energy: -9.896
flat angles P-C4'-P energy: -8.409
tors. eta vs tors. theta energy: -8.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -135.995773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.995773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.995773 (E_RNA)
where:
Base-Base interactions energy: -93.691
where: short stacking energy: -43.129
Base-Backbone interact. energy: -0.101
local terms energy: -42.203306
where:
bonds (distance) C4'-P energy: -7.338
bonds (distance) P-C4' energy: -9.610
flat angles C4'-P-C4' energy: -9.754
flat angles P-C4'-P energy: -6.207
tors. eta vs tors. theta energy: -9.295
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: 1
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -132.371977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.371977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.371977 (E_RNA)
where:
Base-Base interactions energy: -89.610
where: short stacking energy: -41.599
Base-Backbone interact. energy: -0.259
local terms energy: -42.502628
where:
bonds (distance) C4'-P energy: -7.797
bonds (distance) P-C4' energy: -11.128
flat angles C4'-P-C4' energy: -8.474
flat angles P-C4'-P energy: -6.066
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: 4
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -131.612818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.612818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.612818 (E_RNA)
where:
Base-Base interactions energy: -86.986
where: short stacking energy: -38.598
Base-Backbone interact. energy: -1.863
local terms energy: -42.763212
where:
bonds (distance) C4'-P energy: -8.630
bonds (distance) P-C4' energy: -9.221
flat angles C4'-P-C4' energy: -8.618
flat angles P-C4'-P energy: -7.870
tors. eta vs tors. theta energy: -8.424
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: 6
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -76.158886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.158886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.158886 (E_RNA)
where:
Base-Base interactions energy: -36.188
where: short stacking energy: -36.188
Base-Backbone interact. energy: -0.123
local terms energy: -39.847716
where:
bonds (distance) C4'-P energy: -8.140
bonds (distance) P-C4' energy: -10.057
flat angles C4'-P-C4' energy: -7.371
flat angles P-C4'-P energy: -5.070
tors. eta vs tors. theta energy: -9.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -129.278781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.278781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.278781 (E_RNA)
where:
Base-Base interactions energy: -87.932
where: short stacking energy: -37.265
Base-Backbone interact. energy: -0.010
local terms energy: -41.336936
where:
bonds (distance) C4'-P energy: -9.830
bonds (distance) P-C4' energy: -6.600
flat angles C4'-P-C4' energy: -10.655
flat angles P-C4'-P energy: -7.328
tors. eta vs tors. theta energy: -6.925
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: 2
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -68.146387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.146387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.146387 (E_RNA)
where:
Base-Base interactions energy: -31.587
where: short stacking energy: -31.587
Base-Backbone interact. energy: -0.092
local terms energy: -36.466822
where:
bonds (distance) C4'-P energy: -6.782
bonds (distance) P-C4' energy: -7.874
flat angles C4'-P-C4' energy: -8.036
flat angles P-C4'-P energy: -6.404
tors. eta vs tors. theta energy: -7.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -67.863482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.863482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.863482 (E_RNA)
where:
Base-Base interactions energy: -44.671
where: short stacking energy: -22.339
Base-Backbone interact. energy: -0.028
local terms energy: -23.164261
where:
bonds (distance) C4'-P energy: -3.830
bonds (distance) P-C4' energy: -6.223
flat angles C4'-P-C4' energy: -4.927
flat angles P-C4'-P energy: -5.355
tors. eta vs tors. theta energy: -2.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -142.397459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.397459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.397459 (E_RNA)
where:
Base-Base interactions energy: -96.351
where: short stacking energy: -46.559
Base-Backbone interact. energy: -1.099
local terms energy: -44.947622
where:
bonds (distance) C4'-P energy: -8.305
bonds (distance) P-C4' energy: -9.809
flat angles C4'-P-C4' energy: -8.721
flat angles P-C4'-P energy: -7.299
tors. eta vs tors. theta energy: -10.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -141.821456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.821456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.821456 (E_RNA)
where:
Base-Base interactions energy: -108.168
where: short stacking energy: -45.306
Base-Backbone interact. energy: -0.007
local terms energy: -33.646324
where:
bonds (distance) C4'-P energy: -8.935
bonds (distance) P-C4' energy: -8.344
flat angles C4'-P-C4' energy: -8.768
flat angles P-C4'-P energy: -0.264
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: 3, replica: 3
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -145.420110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.420110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.420110 (E_RNA)
where:
Base-Base interactions energy: -109.973
where: short stacking energy: -47.830
Base-Backbone interact. energy: 0.746
local terms energy: -36.193618
where:
bonds (distance) C4'-P energy: -6.041
bonds (distance) P-C4' energy: -11.113
flat angles C4'-P-C4' energy: -8.696
flat angles P-C4'-P energy: 0.413
tors. eta vs tors. theta energy: -10.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -129.684500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.684500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.684500 (E_RNA)
where:
Base-Base interactions energy: -89.197
where: short stacking energy: -37.870
Base-Backbone interact. energy: -1.072
local terms energy: -39.415757
where:
bonds (distance) C4'-P energy: -8.294
bonds (distance) P-C4' energy: -9.990
flat angles C4'-P-C4' energy: -7.120
flat angles P-C4'-P energy: -5.785
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: 5, replica: 1
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -126.242738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.242738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.242738 (E_RNA)
where:
Base-Base interactions energy: -86.612
where: short stacking energy: -37.154
Base-Backbone interact. energy: -0.057
local terms energy: -39.574120
where:
bonds (distance) C4'-P energy: -9.999
bonds (distance) P-C4' energy: -7.417
flat angles C4'-P-C4' energy: -8.468
flat angles P-C4'-P energy: -7.557
tors. eta vs tors. theta energy: -6.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -131.084288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.084288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.084288 (E_RNA)
where:
Base-Base interactions energy: -90.952
where: short stacking energy: -38.781
Base-Backbone interact. energy: -0.001
local terms energy: -40.131361
where:
bonds (distance) C4'-P energy: -9.883
bonds (distance) P-C4' energy: -7.992
flat angles C4'-P-C4' energy: -8.598
flat angles P-C4'-P energy: -5.330
tors. eta vs tors. theta energy: -8.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -125.037908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.037908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.037908 (E_RNA)
where:
Base-Base interactions energy: -82.735
where: short stacking energy: -34.241
Base-Backbone interact. energy: -0.478
local terms energy: -41.824629
where:
bonds (distance) C4'-P energy: -4.973
bonds (distance) P-C4' energy: -10.649
flat angles C4'-P-C4' energy: -8.813
flat angles P-C4'-P energy: -6.998
tors. eta vs tors. theta energy: -10.391
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: 224
Temperature: 1.250000
Total energy: -71.977410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.977410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.977410 (E_RNA)
where:
Base-Base interactions energy: -32.746
where: short stacking energy: -32.746
Base-Backbone interact. energy: 0.439
local terms energy: -39.670850
where:
bonds (distance) C4'-P energy: -8.790
bonds (distance) P-C4' energy: -6.759
flat angles C4'-P-C4' energy: -8.754
flat angles P-C4'-P energy: -6.873
tors. eta vs tors. theta energy: -8.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -57.025183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.025183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.025183 (E_RNA)
where:
Base-Base interactions energy: -27.046
where: short stacking energy: -23.083
Base-Backbone interact. energy: -0.097
local terms energy: -29.882498
where:
bonds (distance) C4'-P energy: -6.964
bonds (distance) P-C4' energy: -7.816
flat angles C4'-P-C4' energy: -7.149
flat angles P-C4'-P energy: -5.011
tors. eta vs tors. theta energy: -2.942
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: 10, replica: 2
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -66.130577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.130577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.130577 (E_RNA)
where:
Base-Base interactions energy: -34.826
where: short stacking energy: -29.493
Base-Backbone interact. energy: -0.002
local terms energy: -31.302655
where:
bonds (distance) C4'-P energy: -7.237
bonds (distance) P-C4' energy: -7.740
flat angles C4'-P-C4' energy: -8.765
flat angles P-C4'-P energy: -4.547
tors. eta vs tors. theta energy: -3.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -142.316973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.316973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.316973 (E_RNA)
where:
Base-Base interactions energy: -95.419
where: short stacking energy: -41.058
Base-Backbone interact. energy: -0.132
local terms energy: -46.766069
where:
bonds (distance) C4'-P energy: -10.169
bonds (distance) P-C4' energy: -9.769
flat angles C4'-P-C4' energy: -10.704
flat angles P-C4'-P energy: -5.915
tors. eta vs tors. theta energy: -10.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -143.912064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.912064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.912064 (E_RNA)
where:
Base-Base interactions energy: -97.164
where: short stacking energy: -46.189
Base-Backbone interact. energy: -0.001
local terms energy: -46.747134
where:
bonds (distance) C4'-P energy: -8.516
bonds (distance) P-C4' energy: -10.404
flat angles C4'-P-C4' energy: -10.137
flat angles P-C4'-P energy: -8.436
tors. eta vs tors. theta energy: -9.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -143.429053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.429053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.429053 (E_RNA)
where:
Base-Base interactions energy: -95.175
where: short stacking energy: -45.224
Base-Backbone interact. energy: -1.502
local terms energy: -46.752478
where:
bonds (distance) C4'-P energy: -8.720
bonds (distance) P-C4' energy: -10.098
flat angles C4'-P-C4' energy: -8.731
flat angles P-C4'-P energy: -8.608
tors. eta vs tors. theta energy: -10.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -135.170310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.170310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.170310 (E_RNA)
where:
Base-Base interactions energy: -97.024
where: short stacking energy: -45.216
Base-Backbone interact. energy: -1.631
local terms energy: -36.514607
where:
bonds (distance) C4'-P energy: -6.910
bonds (distance) P-C4' energy: -4.735
flat angles C4'-P-C4' energy: -5.882
flat angles P-C4'-P energy: -7.775
tors. eta vs tors. theta energy: -11.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -127.601612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.601612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.601612 (E_RNA)
where:
Base-Base interactions energy: -89.354
where: short stacking energy: -38.917
Base-Backbone interact. energy: -0.021
local terms energy: -38.227171
where:
bonds (distance) C4'-P energy: -6.906
bonds (distance) P-C4' energy: -10.917
flat angles C4'-P-C4' energy: -8.442
flat angles P-C4'-P energy: -4.517
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: 6, replica: 10
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -126.197080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.197080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.197080 (E_RNA)
where:
Base-Base interactions energy: -89.443
where: short stacking energy: -41.607
Base-Backbone interact. energy: -1.095
local terms energy: -35.659097
where:
bonds (distance) C4'-P energy: -3.752
bonds (distance) P-C4' energy: -8.545
flat angles C4'-P-C4' energy: -7.370
flat angles P-C4'-P energy: -6.301
tors. eta vs tors. theta energy: -9.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -132.767220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.767220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.767220 (E_RNA)
where:
Base-Base interactions energy: -94.015
where: short stacking energy: -44.236
Base-Backbone interact. energy: 0.576
local terms energy: -39.328167
where:
bonds (distance) C4'-P energy: -8.509
bonds (distance) P-C4' energy: -10.870
flat angles C4'-P-C4' energy: -3.456
flat angles P-C4'-P energy: -4.923
tors. eta vs tors. theta energy: -11.570
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: 7
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -61.946880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.946880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.946880 (E_RNA)
where:
Base-Base interactions energy: -25.058
where: short stacking energy: -25.058
Base-Backbone interact. energy: -0.000
local terms energy: -36.888680
where:
bonds (distance) C4'-P energy: -9.494
bonds (distance) P-C4' energy: -9.774
flat angles C4'-P-C4' energy: -6.218
flat angles P-C4'-P energy: -6.755
tors. eta vs tors. theta energy: -4.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -54.490357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.490357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.490357 (E_RNA)
where:
Base-Base interactions energy: -29.515
where: short stacking energy: -14.845
Base-Backbone interact. energy: -0.056
local terms energy: -24.919045
where:
bonds (distance) C4'-P energy: -7.994
bonds (distance) P-C4' energy: -10.376
flat angles C4'-P-C4' energy: -7.470
flat angles P-C4'-P energy: -0.047
tors. eta vs tors. theta energy: 0.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -52.588015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.588015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.588015 (E_RNA)
where:
Base-Base interactions energy: -27.324
where: short stacking energy: -21.584
Base-Backbone interact. energy: -0.016
local terms energy: -25.248539
where:
bonds (distance) C4'-P energy: -6.770
bonds (distance) P-C4' energy: -6.776
flat angles C4'-P-C4' energy: -7.894
flat angles P-C4'-P energy: -2.209
tors. eta vs tors. theta energy: -1.600
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: 9
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -144.144285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.144285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.144285 (E_RNA)
where:
Base-Base interactions energy: -95.965
where: short stacking energy: -43.989
Base-Backbone interact. energy: -2.285
local terms energy: -45.894259
where:
bonds (distance) C4'-P energy: -9.929
bonds (distance) P-C4' energy: -8.449
flat angles C4'-P-C4' energy: -9.128
flat angles P-C4'-P energy: -6.143
tors. eta vs tors. theta energy: -12.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -138.035674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.035674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.035674 (E_RNA)
where:
Base-Base interactions energy: -94.244
where: short stacking energy: -43.566
Base-Backbone interact. energy: -0.351
local terms energy: -43.440706
where:
bonds (distance) C4'-P energy: -8.181
bonds (distance) P-C4' energy: -8.879
flat angles C4'-P-C4' energy: -9.572
flat angles P-C4'-P energy: -6.932
tors. eta vs tors. theta energy: -9.876
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: 1
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -143.935643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.935643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.935643 (E_RNA)
where:
Base-Base interactions energy: -105.095
where: short stacking energy: -44.899
Base-Backbone interact. energy: -0.026
local terms energy: -38.814560
where:
bonds (distance) C4'-P energy: -9.407
bonds (distance) P-C4' energy: -10.172
flat angles C4'-P-C4' energy: -7.786
flat angles P-C4'-P energy: -1.515
tors. eta vs tors. theta energy: -9.935
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: 226
Temperature: 1.050000
Total energy: -128.910473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.910473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.910473 (E_RNA)
where:
Base-Base interactions energy: -85.329
where: short stacking energy: -35.270
Base-Backbone interact. energy: -0.337
local terms energy: -43.244197
where:
bonds (distance) C4'-P energy: -8.173
bonds (distance) P-C4' energy: -11.103
flat angles C4'-P-C4' energy: -9.490
flat angles P-C4'-P energy: -7.712
tors. eta vs tors. theta energy: -6.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -130.086820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.086820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.086820 (E_RNA)
where:
Base-Base interactions energy: -92.530
where: short stacking energy: -33.666
Base-Backbone interact. energy: -0.028
local terms energy: -37.528983
where:
bonds (distance) C4'-P energy: -8.914
bonds (distance) P-C4' energy: -6.251
flat angles C4'-P-C4' energy: -7.514
flat angles P-C4'-P energy: -4.987
tors. eta vs tors. theta energy: -9.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -132.566049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.566049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.566049 (E_RNA)
where:
Base-Base interactions energy: -86.945
where: short stacking energy: -42.716
Base-Backbone interact. energy: -1.764
local terms energy: -43.857234
where:
bonds (distance) C4'-P energy: -9.113
bonds (distance) P-C4' energy: -10.398
flat angles C4'-P-C4' energy: -7.862
flat angles P-C4'-P energy: -4.324
tors. eta vs tors. theta energy: -12.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -131.735875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.735875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.735875 (E_RNA)
where:
Base-Base interactions energy: -91.813
where: short stacking energy: -42.684
Base-Backbone interact. energy: 0.116
local terms energy: -40.039030
where:
bonds (distance) C4'-P energy: -8.803
bonds (distance) P-C4' energy: -4.802
flat angles C4'-P-C4' energy: -9.123
flat angles P-C4'-P energy: -8.637
tors. eta vs tors. theta energy: -8.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -88.663732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.663732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.663732 (E_RNA)
where:
Base-Base interactions energy: -50.171
where: short stacking energy: -36.794
Base-Backbone interact. energy: -0.004
local terms energy: -38.488942
where:
bonds (distance) C4'-P energy: -7.503
bonds (distance) P-C4' energy: -10.873
flat angles C4'-P-C4' energy: -10.122
flat angles P-C4'-P energy: -5.287
tors. eta vs tors. theta energy: -4.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -68.790369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.790369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.790369 (E_RNA)
where:
Base-Base interactions energy: -33.563
where: short stacking energy: -19.022
Base-Backbone interact. energy: -0.095
local terms energy: -35.132491
where:
bonds (distance) C4'-P energy: -5.631
bonds (distance) P-C4' energy: -10.873
flat angles C4'-P-C4' energy: -7.840
flat angles P-C4'-P energy: -6.967
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: 10, replica: 6
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -64.235253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.235253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.235253 (E_RNA)
where:
Base-Base interactions energy: -34.082
where: short stacking energy: -25.053
Base-Backbone interact. energy: -0.020
local terms energy: -30.133213
where:
bonds (distance) C4'-P energy: -6.625
bonds (distance) P-C4' energy: -9.566
flat angles C4'-P-C4' energy: -6.547
flat angles P-C4'-P energy: -5.034
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: 1, replica: 9
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -147.653785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.653785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.653785 (E_RNA)
where:
Base-Base interactions energy: -101.747
where: short stacking energy: -48.159
Base-Backbone interact. energy: -0.795
local terms energy: -45.112379
where:
bonds (distance) C4'-P energy: -8.671
bonds (distance) P-C4' energy: -9.732
flat angles C4'-P-C4' energy: -8.012
flat angles P-C4'-P energy: -7.445
tors. eta vs tors. theta energy: -11.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -144.240660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.240660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.240660 (E_RNA)
where:
Base-Base interactions energy: -105.157
where: short stacking energy: -44.227
Base-Backbone interact. energy: -0.007
local terms energy: -39.076751
where:
bonds (distance) C4'-P energy: -8.488
bonds (distance) P-C4' energy: -10.000
flat angles C4'-P-C4' energy: -9.314
flat angles P-C4'-P energy: 1.093
tors. eta vs tors. theta energy: -12.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -141.082350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.082350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.082350 (E_RNA)
where:
Base-Base interactions energy: -96.182
where: short stacking energy: -44.724
Base-Backbone interact. energy: -1.502
local terms energy: -43.398529
where:
bonds (distance) C4'-P energy: -9.787
bonds (distance) P-C4' energy: -10.584
flat angles C4'-P-C4' energy: -6.809
flat angles P-C4'-P energy: -6.580
tors. eta vs tors. theta energy: -9.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -138.090554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.090554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.090554 (E_RNA)
where:
Base-Base interactions energy: -92.593
where: short stacking energy: -40.965
Base-Backbone interact. energy: -0.913
local terms energy: -44.584372
where:
bonds (distance) C4'-P energy: -8.033
bonds (distance) P-C4' energy: -10.186
flat angles C4'-P-C4' energy: -9.067
flat angles P-C4'-P energy: -8.539
tors. eta vs tors. theta energy: -8.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -128.068895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.068895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.068895 (E_RNA)
where:
Base-Base interactions energy: -88.779
where: short stacking energy: -38.123
Base-Backbone interact. energy: -0.045
local terms energy: -39.244439
where:
bonds (distance) C4'-P energy: -7.958
bonds (distance) P-C4' energy: -10.320
flat angles C4'-P-C4' energy: -7.818
flat angles P-C4'-P energy: -4.977
tors. eta vs tors. theta energy: -8.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -126.306567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.306567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.306567 (E_RNA)
where:
Base-Base interactions energy: -88.347
where: short stacking energy: -41.486
Base-Backbone interact. energy: -1.272
local terms energy: -36.688345
where:
bonds (distance) C4'-P energy: -7.780
bonds (distance) P-C4' energy: -5.070
flat angles C4'-P-C4' energy: -10.508
flat angles P-C4'-P energy: -4.468
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: 7, replica: 4
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -126.654588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.654588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.654588 (E_RNA)
where:
Base-Base interactions energy: -86.283
where: short stacking energy: -37.886
Base-Backbone interact. energy: -1.020
local terms energy: -39.352432
where:
bonds (distance) C4'-P energy: -6.575
bonds (distance) P-C4' energy: -7.168
flat angles C4'-P-C4' energy: -9.276
flat angles P-C4'-P energy: -7.125
tors. eta vs tors. theta energy: -9.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -69.645483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.645483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.645483 (E_RNA)
where:
Base-Base interactions energy: -40.927
where: short stacking energy: -27.941
Base-Backbone interact. energy: -0.024
local terms energy: -28.694375
where:
bonds (distance) C4'-P energy: -5.686
bonds (distance) P-C4' energy: -8.766
flat angles C4'-P-C4' energy: -7.801
flat angles P-C4'-P energy: -3.769
tors. eta vs tors. theta energy: -2.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -68.402161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.402161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.402161 (E_RNA)
where:
Base-Base interactions energy: -36.181
where: short stacking energy: -18.178
Base-Backbone interact. energy: 0.476
local terms energy: -32.697688
where:
bonds (distance) C4'-P energy: -7.850
bonds (distance) P-C4' energy: -9.288
flat angles C4'-P-C4' energy: -9.272
flat angles P-C4'-P energy: -6.064
tors. eta vs tors. theta energy: -0.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -59.262719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.262719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.262719 (E_RNA)
where:
Base-Base interactions energy: -23.414
where: short stacking energy: -23.414
Base-Backbone interact. energy: 1.288
local terms energy: -37.136540
where:
bonds (distance) C4'-P energy: -8.311
bonds (distance) P-C4' energy: -9.883
flat angles C4'-P-C4' energy: -8.687
flat angles P-C4'-P energy: -5.632
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: 1, replica: 9
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -140.356570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.356570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.356570 (E_RNA)
where:
Base-Base interactions energy: -95.708
where: short stacking energy: -40.840
Base-Backbone interact. energy: -0.306
local terms energy: -44.342709
where:
bonds (distance) C4'-P energy: -7.212
bonds (distance) P-C4' energy: -10.441
flat angles C4'-P-C4' energy: -8.906
flat angles P-C4'-P energy: -8.585
tors. eta vs tors. theta energy: -9.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -140.890298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.890298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.890298 (E_RNA)
where:
Base-Base interactions energy: -95.227
where: short stacking energy: -44.390
Base-Backbone interact. energy: -1.483
local terms energy: -44.180453
where:
bonds (distance) C4'-P energy: -8.526
bonds (distance) P-C4' energy: -9.972
flat angles C4'-P-C4' energy: -8.650
flat angles P-C4'-P energy: -6.268
tors. eta vs tors. theta energy: -10.765
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: 3, replica: 10
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -138.668844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.668844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.668844 (E_RNA)
where:
Base-Base interactions energy: -93.885
where: short stacking energy: -45.405
Base-Backbone interact. energy: -0.045
local terms energy: -44.738727
where:
bonds (distance) C4'-P energy: -10.177
bonds (distance) P-C4' energy: -8.852
flat angles C4'-P-C4' energy: -10.251
flat angles P-C4'-P energy: -5.245
tors. eta vs tors. theta energy: -10.214
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: 3
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -133.122258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.122258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.122258 (E_RNA)
where:
Base-Base interactions energy: -90.470
where: short stacking energy: -39.206
Base-Backbone interact. energy: -1.329
local terms energy: -41.323471
where:
bonds (distance) C4'-P energy: -9.121
bonds (distance) P-C4' energy: -9.270
flat angles C4'-P-C4' energy: -8.525
flat angles P-C4'-P energy: -6.146
tors. eta vs tors. theta energy: -8.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -132.025847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.025847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.025847 (E_RNA)
where:
Base-Base interactions energy: -91.780
where: short stacking energy: -42.047
Base-Backbone interact. energy: -0.456
local terms energy: -39.790287
where:
bonds (distance) C4'-P energy: -8.007
bonds (distance) P-C4' energy: -6.660
flat angles C4'-P-C4' energy: -10.022
flat angles P-C4'-P energy: -6.057
tors. eta vs tors. theta energy: -9.045
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: 228
Temperature: 1.150000
Total energy: -128.835430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.835430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.835430 (E_RNA)
where:
Base-Base interactions energy: -97.952
where: short stacking energy: -31.341
Base-Backbone interact. energy: 0.536
local terms energy: -31.419450
where:
bonds (distance) C4'-P energy: -9.361
bonds (distance) P-C4' energy: -6.867
flat angles C4'-P-C4' energy: -4.401
flat angles P-C4'-P energy: -1.062
tors. eta vs tors. theta energy: -9.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -129.386953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.386953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.386953 (E_RNA)
where:
Base-Base interactions energy: -92.791
where: short stacking energy: -42.614
Base-Backbone interact. energy: -0.238
local terms energy: -36.357516
where:
bonds (distance) C4'-P energy: -5.598
bonds (distance) P-C4' energy: -4.223
flat angles C4'-P-C4' energy: -9.330
flat angles P-C4'-P energy: -6.352
tors. eta vs tors. theta energy: -10.854
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: 228
Temperature: 1.250000
Total energy: -78.845492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.845492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.845492 (E_RNA)
where:
Base-Base interactions energy: -40.322
where: short stacking energy: -40.422
Base-Backbone interact. energy: 0.404
local terms energy: -38.928040
where:
bonds (distance) C4'-P energy: -5.607
bonds (distance) P-C4' energy: -10.293
flat angles C4'-P-C4' energy: -10.047
flat angles P-C4'-P energy: -5.017
tors. eta vs tors. theta energy: -7.964
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: 9, replica: 6
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -63.446989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.446989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.446989 (E_RNA)
where:
Base-Base interactions energy: -29.080
where: short stacking energy: -12.281
Base-Backbone interact. energy: 0.571
local terms energy: -34.937968
where:
bonds (distance) C4'-P energy: -9.751
bonds (distance) P-C4' energy: -9.764
flat angles C4'-P-C4' energy: -9.611
flat angles P-C4'-P energy: -7.294
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: 10, replica: 7
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -70.269824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.269824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.269824 (E_RNA)
where:
Base-Base interactions energy: -36.254
where: short stacking energy: -22.704
Base-Backbone interact. energy: -0.144
local terms energy: -33.871590
where:
bonds (distance) C4'-P energy: -9.316
bonds (distance) P-C4' energy: -7.823
flat angles C4'-P-C4' energy: -8.631
flat angles P-C4'-P energy: -4.104
tors. eta vs tors. theta energy: -3.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -143.033308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.033308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.033308 (E_RNA)
where:
Base-Base interactions energy: -99.863
where: short stacking energy: -47.052
Base-Backbone interact. energy: -0.905
local terms energy: -42.265032
where:
bonds (distance) C4'-P energy: -9.945
bonds (distance) P-C4' energy: -11.134
flat angles C4'-P-C4' energy: -8.794
flat angles P-C4'-P energy: -3.703
tors. eta vs tors. theta energy: -8.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -137.605598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.605598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.605598 (E_RNA)
where:
Base-Base interactions energy: -93.876
where: short stacking energy: -41.762
Base-Backbone interact. energy: -0.192
local terms energy: -43.537466
where:
bonds (distance) C4'-P energy: -8.216
bonds (distance) P-C4' energy: -9.736
flat angles C4'-P-C4' energy: -10.239
flat angles P-C4'-P energy: -4.669
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: 3, replica: 1
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -142.168259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.168259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.168259 (E_RNA)
where:
Base-Base interactions energy: -95.373
where: short stacking energy: -42.487
Base-Backbone interact. energy: -1.454
local terms energy: -45.341934
where:
bonds (distance) C4'-P energy: -9.767
bonds (distance) P-C4' energy: -10.109
flat angles C4'-P-C4' energy: -10.010
flat angles P-C4'-P energy: -5.608
tors. eta vs tors. theta energy: -9.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -137.136228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.136228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.136228 (E_RNA)
where:
Base-Base interactions energy: -91.471
where: short stacking energy: -41.145
Base-Backbone interact. energy: -0.164
local terms energy: -45.501300
where:
bonds (distance) C4'-P energy: -7.337
bonds (distance) P-C4' energy: -9.245
flat angles C4'-P-C4' energy: -10.494
flat angles P-C4'-P energy: -8.092
tors. eta vs tors. theta energy: -10.332
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: 3
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -137.432760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.432760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.432760 (E_RNA)
where:
Base-Base interactions energy: -94.893
where: short stacking energy: -44.777
Base-Backbone interact. energy: -0.076
local terms energy: -42.464029
where:
bonds (distance) C4'-P energy: -8.678
bonds (distance) P-C4' energy: -8.607
flat angles C4'-P-C4' energy: -6.584
flat angles P-C4'-P energy: -8.944
tors. eta vs tors. theta energy: -9.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -131.051919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.051919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.051919 (E_RNA)
where:
Base-Base interactions energy: -92.717
where: short stacking energy: -42.719
Base-Backbone interact. energy: -0.077
local terms energy: -38.257994
where:
bonds (distance) C4'-P energy: -8.810
bonds (distance) P-C4' energy: -7.970
flat angles C4'-P-C4' energy: -9.574
flat angles P-C4'-P energy: -4.205
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: 7, replica: 5
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -126.129396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.129396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.129396 (E_RNA)
where:
Base-Base interactions energy: -88.868
where: short stacking energy: -37.750
Base-Backbone interact. energy: -0.013
local terms energy: -37.248671
where:
bonds (distance) C4'-P energy: -6.873
bonds (distance) P-C4' energy: -8.608
flat angles C4'-P-C4' energy: -8.344
flat angles P-C4'-P energy: -4.836
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: 8, replica: 6
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -61.523373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.523373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.523373 (E_RNA)
where:
Base-Base interactions energy: -25.183
where: short stacking energy: -25.183
Base-Backbone interact. energy: -0.015
local terms energy: -36.325683
where:
bonds (distance) C4'-P energy: -9.585
bonds (distance) P-C4' energy: -10.125
flat angles C4'-P-C4' energy: -1.756
flat angles P-C4'-P energy: -6.403
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: 9, replica: 2
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -59.060719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.060719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.060719 (E_RNA)
where:
Base-Base interactions energy: -24.170
where: short stacking energy: -24.170
Base-Backbone interact. energy: -0.003
local terms energy: -34.887517
where:
bonds (distance) C4'-P energy: -6.758
bonds (distance) P-C4' energy: -10.000
flat angles C4'-P-C4' energy: -9.121
flat angles P-C4'-P energy: -5.604
tors. eta vs tors. theta energy: -3.404
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: 7
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -57.397453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.397453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.397453 (E_RNA)
where:
Base-Base interactions energy: -24.373
where: short stacking energy: -20.743
Base-Backbone interact. energy: -0.103
local terms energy: -32.921851
where:
bonds (distance) C4'-P energy: -8.268
bonds (distance) P-C4' energy: -9.855
flat angles C4'-P-C4' energy: -6.242
flat angles P-C4'-P energy: -5.744
tors. eta vs tors. theta energy: -2.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -141.952703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.952703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.952703 (E_RNA)
where:
Base-Base interactions energy: -97.079
where: short stacking energy: -44.487
Base-Backbone interact. energy: -0.246
local terms energy: -44.627740
where:
bonds (distance) C4'-P energy: -8.559
bonds (distance) P-C4' energy: -9.954
flat angles C4'-P-C4' energy: -7.397
flat angles P-C4'-P energy: -6.691
tors. eta vs tors. theta energy: -12.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -136.338983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.338983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.338983 (E_RNA)
where:
Base-Base interactions energy: -97.009
where: short stacking energy: -46.772
Base-Backbone interact. energy: -0.022
local terms energy: -39.307396
where:
bonds (distance) C4'-P energy: -7.929
bonds (distance) P-C4' energy: -9.743
flat angles C4'-P-C4' energy: -9.351
flat angles P-C4'-P energy: -3.388
tors. eta vs tors. theta energy: -8.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -133.349910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.349910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.349910 (E_RNA)
where:
Base-Base interactions energy: -89.187
where: short stacking energy: -37.366
Base-Backbone interact. energy: -1.362
local terms energy: -42.800974
where:
bonds (distance) C4'-P energy: -8.911
bonds (distance) P-C4' energy: -9.471
flat angles C4'-P-C4' energy: -10.304
flat angles P-C4'-P energy: -6.939
tors. eta vs tors. theta energy: -7.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -134.552714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.552714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.552714 (E_RNA)
where:
Base-Base interactions energy: -91.110
where: short stacking energy: -42.315
Base-Backbone interact. energy: -1.609
local terms energy: -41.834174
where:
bonds (distance) C4'-P energy: -8.620
bonds (distance) P-C4' energy: -6.975
flat angles C4'-P-C4' energy: -8.980
flat angles P-C4'-P energy: -7.634
tors. eta vs tors. theta energy: -9.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -134.240082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.240082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.240082 (E_RNA)
where:
Base-Base interactions energy: -91.706
where: short stacking energy: -41.259
Base-Backbone interact. energy: -1.637
local terms energy: -40.897428
where:
bonds (distance) C4'-P energy: -4.654
bonds (distance) P-C4' energy: -9.404
flat angles C4'-P-C4' energy: -10.457
flat angles P-C4'-P energy: -4.855
tors. eta vs tors. theta energy: -11.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -132.083604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.083604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.083604 (E_RNA)
where:
Base-Base interactions energy: -87.861
where: short stacking energy: -41.355
Base-Backbone interact. energy: -0.617
local terms energy: -43.605761
where:
bonds (distance) C4'-P energy: -8.712
bonds (distance) P-C4' energy: -9.907
flat angles C4'-P-C4' energy: -9.497
flat angles P-C4'-P energy: -6.792
tors. eta vs tors. theta energy: -8.697
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: 5
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -119.465124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.465124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.465124 (E_RNA)
where:
Base-Base interactions energy: -82.370
where: short stacking energy: -37.017
Base-Backbone interact. energy: -0.006
local terms energy: -37.089727
where:
bonds (distance) C4'-P energy: -7.423
bonds (distance) P-C4' energy: -10.208
flat angles C4'-P-C4' energy: -8.350
flat angles P-C4'-P energy: -4.959
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: 8, replica: 6
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -78.313240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.313240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.313240 (E_RNA)
where:
Base-Base interactions energy: -54.036
where: short stacking energy: -25.647
Base-Backbone interact. energy: -0.873
local terms energy: -23.403345
where:
bonds (distance) C4'-P energy: -7.867
bonds (distance) P-C4' energy: -8.374
flat angles C4'-P-C4' energy: -7.481
flat angles P-C4'-P energy: 2.944
tors. eta vs tors. theta energy: -2.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -56.053033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.053033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.053033 (E_RNA)
where:
Base-Base interactions energy: -27.138
where: short stacking energy: -27.138
Base-Backbone interact. energy: -0.093
local terms energy: -28.821774
where:
bonds (distance) C4'-P energy: -5.817
bonds (distance) P-C4' energy: -10.060
flat angles C4'-P-C4' energy: -7.077
flat angles P-C4'-P energy: -2.716
tors. eta vs tors. theta energy: -3.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -56.606731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.606731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.606731 (E_RNA)
where:
Base-Base interactions energy: -23.789
where: short stacking energy: -23.789
Base-Backbone interact. energy: 0.113
local terms energy: -32.931042
where:
bonds (distance) C4'-P energy: -9.299
bonds (distance) P-C4' energy: -9.333
flat angles C4'-P-C4' energy: -6.570
flat angles P-C4'-P energy: -2.020
tors. eta vs tors. theta energy: -5.708
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: 1, replica: 9
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -143.261598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.261598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.261598 (E_RNA)
where:
Base-Base interactions energy: -95.992
where: short stacking energy: -44.224
Base-Backbone interact. energy: -0.401
local terms energy: -46.869444
where:
bonds (distance) C4'-P energy: -8.348
bonds (distance) P-C4' energy: -11.354
flat angles C4'-P-C4' energy: -8.808
flat angles P-C4'-P energy: -7.532
tors. eta vs tors. theta energy: -10.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -134.873203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.873203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.873203 (E_RNA)
where:
Base-Base interactions energy: -88.164
where: short stacking energy: -39.360
Base-Backbone interact. energy: -0.757
local terms energy: -45.952826
where:
bonds (distance) C4'-P energy: -9.369
bonds (distance) P-C4' energy: -10.880
flat angles C4'-P-C4' energy: -9.081
flat angles P-C4'-P energy: -8.277
tors. eta vs tors. theta energy: -8.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -141.842498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.842498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.842498 (E_RNA)
where:
Base-Base interactions energy: -99.241
where: short stacking energy: -42.701
Base-Backbone interact. energy: 0.015
local terms energy: -42.616328
where:
bonds (distance) C4'-P energy: -7.883
bonds (distance) P-C4' energy: -10.133
flat angles C4'-P-C4' energy: -10.177
flat angles P-C4'-P energy: -5.745
tors. eta vs tors. theta energy: -8.678
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: 8
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -133.820279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.820279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.820279 (E_RNA)
where:
Base-Base interactions energy: -91.765
where: short stacking energy: -42.675
Base-Backbone interact. energy: -0.024
local terms energy: -42.030685
where:
bonds (distance) C4'-P energy: -10.223
bonds (distance) P-C4' energy: -8.985
flat angles C4'-P-C4' energy: -8.413
flat angles P-C4'-P energy: -4.992
tors. eta vs tors. theta energy: -9.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -126.427770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.427770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.427770 (E_RNA)
where:
Base-Base interactions energy: -90.123
where: short stacking energy: -34.647
Base-Backbone interact. energy: -0.107
local terms energy: -36.198298
where:
bonds (distance) C4'-P energy: -8.306
bonds (distance) P-C4' energy: -9.352
flat angles C4'-P-C4' energy: -8.264
flat angles P-C4'-P energy: -1.649
tors. eta vs tors. theta energy: -8.629
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: 6, replica: 5
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -137.477028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.477028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.477028 (E_RNA)
where:
Base-Base interactions energy: -97.742
where: short stacking energy: -35.068
Base-Backbone interact. energy: -0.000
local terms energy: -39.734646
where:
bonds (distance) C4'-P energy: -10.392
bonds (distance) P-C4' energy: -4.039
flat angles C4'-P-C4' energy: -10.451
flat angles P-C4'-P energy: -5.986
tors. eta vs tors. theta energy: -8.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -121.100718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.100718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.100718 (E_RNA)
where:
Base-Base interactions energy: -89.883
where: short stacking energy: -33.732
Base-Backbone interact. energy: -0.042
local terms energy: -31.175590
where:
bonds (distance) C4'-P energy: -7.693
bonds (distance) P-C4' energy: -8.076
flat angles C4'-P-C4' energy: -9.615
flat angles P-C4'-P energy: -0.991
tors. eta vs tors. theta energy: -4.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -82.289884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.289884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.289884 (E_RNA)
where:
Base-Base interactions energy: -49.086
where: short stacking energy: -32.446
Base-Backbone interact. energy: -0.688
local terms energy: -32.515812
where:
bonds (distance) C4'-P energy: -7.358
bonds (distance) P-C4' energy: -10.426
flat angles C4'-P-C4' energy: -9.567
flat angles P-C4'-P energy: 0.647
tors. eta vs tors. theta energy: -5.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -62.205491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.205491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.205491 (E_RNA)
where:
Base-Base interactions energy: -23.560
where: short stacking energy: -22.933
Base-Backbone interact. energy: -0.051
local terms energy: -38.594525
where:
bonds (distance) C4'-P energy: -9.014
bonds (distance) P-C4' energy: -8.048
flat angles C4'-P-C4' energy: -9.477
flat angles P-C4'-P energy: -7.829
tors. eta vs tors. theta energy: -4.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -61.802412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.802412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.802412 (E_RNA)
where:
Base-Base interactions energy: -25.261
where: short stacking energy: -25.198
Base-Backbone interact. energy: -0.211
local terms energy: -36.330395
where:
bonds (distance) C4'-P energy: -7.780
bonds (distance) P-C4' energy: -9.088
flat angles C4'-P-C4' energy: -7.957
flat angles P-C4'-P energy: -6.713
tors. eta vs tors. theta energy: -4.793
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: 232
Temperature: 0.900000
Total energy: -141.757777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.757777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.757777 (E_RNA)
where:
Base-Base interactions energy: -96.536
where: short stacking energy: -43.331
Base-Backbone interact. energy: -1.017
local terms energy: -44.204886
where:
bonds (distance) C4'-P energy: -8.009
bonds (distance) P-C4' energy: -10.035
flat angles C4'-P-C4' energy: -6.679
flat angles P-C4'-P energy: -8.891
tors. eta vs tors. theta energy: -10.591
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: 2, replica: 9
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -142.715984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.715984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.715984 (E_RNA)
where:
Base-Base interactions energy: -99.428
where: short stacking energy: -47.094
Base-Backbone interact. energy: -0.803
local terms energy: -42.484355
where:
bonds (distance) C4'-P energy: -8.760
bonds (distance) P-C4' energy: -9.028
flat angles C4'-P-C4' energy: -8.799
flat angles P-C4'-P energy: -5.228
tors. eta vs tors. theta energy: -10.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -129.908351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.908351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.908351 (E_RNA)
where:
Base-Base interactions energy: -89.406
where: short stacking energy: -42.065
Base-Backbone interact. energy: -0.126
local terms energy: -40.376334
where:
bonds (distance) C4'-P energy: -9.432
bonds (distance) P-C4' energy: -8.679
flat angles C4'-P-C4' energy: -8.690
flat angles P-C4'-P energy: -5.809
tors. eta vs tors. theta energy: -7.767
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: 10
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -137.332277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.332277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.332277 (E_RNA)
where:
Base-Base interactions energy: -98.655
where: short stacking energy: -43.314
Base-Backbone interact. energy: -0.339
local terms energy: -38.338952
where:
bonds (distance) C4'-P energy: -4.915
bonds (distance) P-C4' energy: -8.879
flat angles C4'-P-C4' energy: -9.841
flat angles P-C4'-P energy: -6.465
tors. eta vs tors. theta energy: -8.238
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: 232
Temperature: 1.100000
Total energy: -136.499798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.499798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.499798 (E_RNA)
where:
Base-Base interactions energy: -92.886
where: short stacking energy: -44.145
Base-Backbone interact. energy: -0.426
local terms energy: -43.187910
where:
bonds (distance) C4'-P energy: -6.683
bonds (distance) P-C4' energy: -9.126
flat angles C4'-P-C4' energy: -8.912
flat angles P-C4'-P energy: -8.196
tors. eta vs tors. theta energy: -10.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -130.412927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.412927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.412927 (E_RNA)
where:
Base-Base interactions energy: -82.281
where: short stacking energy: -35.856
Base-Backbone interact. energy: -1.713
local terms energy: -46.419513
where:
bonds (distance) C4'-P energy: -10.019
bonds (distance) P-C4' energy: -11.131
flat angles C4'-P-C4' energy: -9.209
flat angles P-C4'-P energy: -6.622
tors. eta vs tors. theta energy: -9.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -134.879918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.879918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.879918 (E_RNA)
where:
Base-Base interactions energy: -90.574
where: short stacking energy: -42.321
Base-Backbone interact. energy: -0.003
local terms energy: -44.303573
where:
bonds (distance) C4'-P energy: -9.485
bonds (distance) P-C4' energy: -9.109
flat angles C4'-P-C4' energy: -9.868
flat angles P-C4'-P energy: -4.294
tors. eta vs tors. theta energy: -11.547
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: 6
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -62.889117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.889117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.889117 (E_RNA)
where:
Base-Base interactions energy: -31.778
where: short stacking energy: -24.332
Base-Backbone interact. energy: -0.058
local terms energy: -31.054034
where:
bonds (distance) C4'-P energy: -9.643
bonds (distance) P-C4' energy: -9.087
flat angles C4'-P-C4' energy: -6.466
flat angles P-C4'-P energy: -5.270
tors. eta vs tors. theta energy: -0.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -77.924765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.924765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.924765 (E_RNA)
where:
Base-Base interactions energy: -41.479
where: short stacking energy: -26.980
Base-Backbone interact. energy: -0.100
local terms energy: -36.345822
where:
bonds (distance) C4'-P energy: -9.030
bonds (distance) P-C4' energy: -7.433
flat angles C4'-P-C4' energy: -9.320
flat angles P-C4'-P energy: -5.523
tors. eta vs tors. theta energy: -5.040
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: 10, replica: 7
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -74.574473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.574473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.574473 (E_RNA)
where:
Base-Base interactions energy: -50.786
where: short stacking energy: -29.467
Base-Backbone interact. energy: -0.249
local terms energy: -23.539446
where:
bonds (distance) C4'-P energy: -4.638
bonds (distance) P-C4' energy: -4.548
flat angles C4'-P-C4' energy: -7.201
flat angles P-C4'-P energy: -3.959
tors. eta vs tors. theta energy: -3.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -141.132462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.132462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.132462 (E_RNA)
where:
Base-Base interactions energy: -94.513
where: short stacking energy: -45.050
Base-Backbone interact. energy: -0.037
local terms energy: -46.583208
where:
bonds (distance) C4'-P energy: -10.123
bonds (distance) P-C4' energy: -10.165
flat angles C4'-P-C4' energy: -10.090
flat angles P-C4'-P energy: -7.030
tors. eta vs tors. theta energy: -9.175
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: 8
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -133.171041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.171041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.171041 (E_RNA)
where:
Base-Base interactions energy: -92.071
where: short stacking energy: -41.924
Base-Backbone interact. energy: -0.018
local terms energy: -41.082134
where:
bonds (distance) C4'-P energy: -8.898
bonds (distance) P-C4' energy: -7.428
flat angles C4'-P-C4' energy: -8.393
flat angles P-C4'-P energy: -5.678
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: 3, replica: 9
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -139.526194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.526194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.526194 (E_RNA)
where:
Base-Base interactions energy: -93.494
where: short stacking energy: -44.793
Base-Backbone interact. energy: -2.430
local terms energy: -43.601637
where:
bonds (distance) C4'-P energy: -9.664
bonds (distance) P-C4' energy: -8.555
flat angles C4'-P-C4' energy: -8.660
flat angles P-C4'-P energy: -6.619
tors. eta vs tors. theta energy: -10.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -136.287014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.287014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.287014 (E_RNA)
where:
Base-Base interactions energy: -92.221
where: short stacking energy: -44.900
Base-Backbone interact. energy: -0.870
local terms energy: -43.196143
where:
bonds (distance) C4'-P energy: -7.639
bonds (distance) P-C4' energy: -7.293
flat angles C4'-P-C4' energy: -9.436
flat angles P-C4'-P energy: -9.294
tors. eta vs tors. theta energy: -9.534
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: 10
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -140.902451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.902451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.902451 (E_RNA)
where:
Base-Base interactions energy: -106.746
where: short stacking energy: -42.918
Base-Backbone interact. energy: -0.009
local terms energy: -34.147324
where:
bonds (distance) C4'-P energy: -6.307
bonds (distance) P-C4' energy: -8.235
flat angles C4'-P-C4' energy: -10.295
flat angles P-C4'-P energy: -0.321
tors. eta vs tors. theta energy: -8.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -131.854762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.854762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.854762 (E_RNA)
where:
Base-Base interactions energy: -90.581
where: short stacking energy: -44.546
Base-Backbone interact. energy: -0.098
local terms energy: -41.174939
where:
bonds (distance) C4'-P energy: -8.678
bonds (distance) P-C4' energy: -9.840
flat angles C4'-P-C4' energy: -9.858
flat angles P-C4'-P energy: -4.924
tors. eta vs tors. theta energy: -7.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -125.232194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.232194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.232194 (E_RNA)
where:
Base-Base interactions energy: -88.236
where: short stacking energy: -40.764
Base-Backbone interact. energy: -1.038
local terms energy: -35.958283
where:
bonds (distance) C4'-P energy: -4.883
bonds (distance) P-C4' energy: -6.184
flat angles C4'-P-C4' energy: -8.922
flat angles P-C4'-P energy: -6.269
tors. eta vs tors. theta energy: -9.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -67.080022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.080022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.080022 (E_RNA)
where:
Base-Base interactions energy: -41.198
where: short stacking energy: -30.777
Base-Backbone interact. energy: -0.157
local terms energy: -25.725567
where:
bonds (distance) C4'-P energy: -6.501
bonds (distance) P-C4' energy: -2.625
flat angles C4'-P-C4' energy: -6.899
flat angles P-C4'-P energy: -3.416
tors. eta vs tors. theta energy: -6.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -64.130615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.130615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.130615 (E_RNA)
where:
Base-Base interactions energy: -29.098
where: short stacking energy: -29.098
Base-Backbone interact. energy: -0.100
local terms energy: -34.932043
where:
bonds (distance) C4'-P energy: -6.418
bonds (distance) P-C4' energy: -9.206
flat angles C4'-P-C4' energy: -8.646
flat angles P-C4'-P energy: -6.949
tors. eta vs tors. theta energy: -3.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -53.899378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.899378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.899378 (E_RNA)
where:
Base-Base interactions energy: -26.777
where: short stacking energy: -23.117
Base-Backbone interact. energy: -0.019
local terms energy: -27.102849
where:
bonds (distance) C4'-P energy: -7.593
bonds (distance) P-C4' energy: -6.818
flat angles C4'-P-C4' energy: -5.311
flat angles P-C4'-P energy: -3.652
tors. eta vs tors. theta energy: -3.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -136.546027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.546027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.546027 (E_RNA)
where:
Base-Base interactions energy: -92.165
where: short stacking energy: -41.458
Base-Backbone interact. energy: -0.041
local terms energy: -44.340510
where:
bonds (distance) C4'-P energy: -7.851
bonds (distance) P-C4' energy: -9.628
flat angles C4'-P-C4' energy: -10.757
flat angles P-C4'-P energy: -7.551
tors. eta vs tors. theta energy: -8.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -139.235056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.235056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.235056 (E_RNA)
where:
Base-Base interactions energy: -97.646
where: short stacking energy: -34.549
Base-Backbone interact. energy: -0.003
local terms energy: -41.585765
where:
bonds (distance) C4'-P energy: -10.463
bonds (distance) P-C4' energy: -11.103
flat angles C4'-P-C4' energy: -8.089
flat angles P-C4'-P energy: -2.204
tors. eta vs tors. theta energy: -9.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -138.008290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.008290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.008290 (E_RNA)
where:
Base-Base interactions energy: -93.086
where: short stacking energy: -43.086
Base-Backbone interact. energy: -0.025
local terms energy: -44.897890
where:
bonds (distance) C4'-P energy: -7.664
bonds (distance) P-C4' energy: -8.945
flat angles C4'-P-C4' energy: -10.128
flat angles P-C4'-P energy: -7.396
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: 4, replica: 9
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -140.303588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.303588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.303588 (E_RNA)
where:
Base-Base interactions energy: -98.237
where: short stacking energy: -44.173
Base-Backbone interact. energy: -0.416
local terms energy: -41.650213
where:
bonds (distance) C4'-P energy: -9.929
bonds (distance) P-C4' energy: -7.681
flat angles C4'-P-C4' energy: -8.378
flat angles P-C4'-P energy: -6.949
tors. eta vs tors. theta energy: -8.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -129.247023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.247023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.247023 (E_RNA)
where:
Base-Base interactions energy: -88.475
where: short stacking energy: -38.543
Base-Backbone interact. energy: -0.021
local terms energy: -40.751127
where:
bonds (distance) C4'-P energy: -10.338
bonds (distance) P-C4' energy: -9.668
flat angles C4'-P-C4' energy: -8.952
flat angles P-C4'-P energy: -2.819
tors. eta vs tors. theta energy: -8.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -128.272769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.272769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.272769 (E_RNA)
where:
Base-Base interactions energy: -88.530
where: short stacking energy: -40.261
Base-Backbone interact. energy: -0.015
local terms energy: -39.727408
where:
bonds (distance) C4'-P energy: -8.285
bonds (distance) P-C4' energy: -7.451
flat angles C4'-P-C4' energy: -8.950
flat angles P-C4'-P energy: -6.714
tors. eta vs tors. theta energy: -8.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -125.162471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.162471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.162471 (E_RNA)
where:
Base-Base interactions energy: -88.891
where: short stacking energy: -42.237
Base-Backbone interact. energy: -0.284
local terms energy: -35.987868
where:
bonds (distance) C4'-P energy: -6.824
bonds (distance) P-C4' energy: -6.377
flat angles C4'-P-C4' energy: -8.105
flat angles P-C4'-P energy: -5.781
tors. eta vs tors. theta energy: -8.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -67.082945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.082945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.082945 (E_RNA)
where:
Base-Base interactions energy: -32.982
where: short stacking energy: -31.541
Base-Backbone interact. energy: -0.112
local terms energy: -33.988698
where:
bonds (distance) C4'-P energy: -1.698
bonds (distance) P-C4' energy: -9.457
flat angles C4'-P-C4' energy: -10.359
flat angles P-C4'-P energy: -6.271
tors. eta vs tors. theta energy: -6.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -72.362030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.362030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.362030 (E_RNA)
where:
Base-Base interactions energy: -37.226
where: short stacking energy: -37.226
Base-Backbone interact. energy: 0.819
local terms energy: -35.954870
where:
bonds (distance) C4'-P energy: -7.897
bonds (distance) P-C4' energy: -7.980
flat angles C4'-P-C4' energy: -9.568
flat angles P-C4'-P energy: -0.814
tors. eta vs tors. theta energy: -9.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -62.884222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.884222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.884222 (E_RNA)
where:
Base-Base interactions energy: -26.562
where: short stacking energy: -26.562
Base-Backbone interact. energy: -0.231
local terms energy: -36.091266
where:
bonds (distance) C4'-P energy: -10.256
bonds (distance) P-C4' energy: -8.784
flat angles C4'-P-C4' energy: -7.319
flat angles P-C4'-P energy: -7.388
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: 8
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -139.376760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.376760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.376760 (E_RNA)
where:
Base-Base interactions energy: -95.158
where: short stacking energy: -45.305
Base-Backbone interact. energy: -0.126
local terms energy: -44.093523
where:
bonds (distance) C4'-P energy: -8.467
bonds (distance) P-C4' energy: -10.405
flat angles C4'-P-C4' energy: -9.837
flat angles P-C4'-P energy: -7.015
tors. eta vs tors. theta energy: -8.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -144.665757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.665757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.665757 (E_RNA)
where:
Base-Base interactions energy: -99.928
where: short stacking energy: -46.318
Base-Backbone interact. energy: -0.764
local terms energy: -43.973698
where:
bonds (distance) C4'-P energy: -8.754
bonds (distance) P-C4' energy: -10.684
flat angles C4'-P-C4' energy: -6.958
flat angles P-C4'-P energy: -7.148
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: 3, replica: 1
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -137.853860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.853860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.853860 (E_RNA)
where:
Base-Base interactions energy: -94.445
where: short stacking energy: -44.237
Base-Backbone interact. energy: -0.002
local terms energy: -43.406506
where:
bonds (distance) C4'-P energy: -9.759
bonds (distance) P-C4' energy: -9.500
flat angles C4'-P-C4' energy: -8.012
flat angles P-C4'-P energy: -5.761
tors. eta vs tors. theta energy: -10.375
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: 4, replica: 9
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -134.664653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.664653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.664653 (E_RNA)
where:
Base-Base interactions energy: -88.098
where: short stacking energy: -41.993
Base-Backbone interact. energy: -1.579
local terms energy: -44.987309
where:
bonds (distance) C4'-P energy: -8.418
bonds (distance) P-C4' energy: -10.917
flat angles C4'-P-C4' energy: -10.066
flat angles P-C4'-P energy: -5.798
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: 5, replica: 10
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -139.482492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.482492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.482492 (E_RNA)
where:
Base-Base interactions energy: -94.673
where: short stacking energy: -37.776
Base-Backbone interact. energy: -2.104
local terms energy: -42.704627
where:
bonds (distance) C4'-P energy: -6.695
bonds (distance) P-C4' energy: -11.360
flat angles C4'-P-C4' energy: -8.232
flat angles P-C4'-P energy: -7.007
tors. eta vs tors. theta energy: -9.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -130.168517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.168517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.168517 (E_RNA)
where:
Base-Base interactions energy: -92.742
where: short stacking energy: -35.487
Base-Backbone interact. energy: -0.432
local terms energy: -36.995012
where:
bonds (distance) C4'-P energy: -8.678
bonds (distance) P-C4' energy: -6.693
flat angles C4'-P-C4' energy: -9.748
flat angles P-C4'-P energy: -4.281
tors. eta vs tors. theta energy: -7.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -129.907307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.907307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.907307 (E_RNA)
where:
Base-Base interactions energy: -85.127
where: short stacking energy: -36.540
Base-Backbone interact. energy: -2.000
local terms energy: -42.781021
where:
bonds (distance) C4'-P energy: -9.042
bonds (distance) P-C4' energy: -9.833
flat angles C4'-P-C4' energy: -8.256
flat angles P-C4'-P energy: -7.819
tors. eta vs tors. theta energy: -7.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -72.729561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.729561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.729561 (E_RNA)
where:
Base-Base interactions energy: -36.601
where: short stacking energy: -19.211
Base-Backbone interact. energy: -0.006
local terms energy: -36.122495
where:
bonds (distance) C4'-P energy: -9.288
bonds (distance) P-C4' energy: -10.652
flat angles C4'-P-C4' energy: -8.725
flat angles P-C4'-P energy: -3.797
tors. eta vs tors. theta energy: -3.660
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: 7
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -69.229759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.229759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.229759 (E_RNA)
where:
Base-Base interactions energy: -32.048
where: short stacking energy: -32.048
Base-Backbone interact. energy: -0.000
local terms energy: -37.181660
where:
bonds (distance) C4'-P energy: -8.521
bonds (distance) P-C4' energy: -9.285
flat angles C4'-P-C4' energy: -9.915
flat angles P-C4'-P energy: -5.568
tors. eta vs tors. theta energy: -3.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -56.883686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.883686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.883686 (E_RNA)
where:
Base-Base interactions energy: -28.223
where: short stacking energy: -24.792
Base-Backbone interact. energy: -0.004
local terms energy: -28.657045
where:
bonds (distance) C4'-P energy: 0.380
bonds (distance) P-C4' energy: -10.423
flat angles C4'-P-C4' energy: -8.734
flat angles P-C4'-P energy: -6.356
tors. eta vs tors. theta energy: -3.525
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: 1, replica: 5
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -141.002310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.002310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.002310 (E_RNA)
where:
Base-Base interactions energy: -97.990
where: short stacking energy: -47.995
Base-Backbone interact. energy: -1.845
local terms energy: -41.166874
where:
bonds (distance) C4'-P energy: -8.261
bonds (distance) P-C4' energy: -9.019
flat angles C4'-P-C4' energy: -6.559
flat angles P-C4'-P energy: -7.020
tors. eta vs tors. theta energy: -10.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -137.870794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.870794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.870794 (E_RNA)
where:
Base-Base interactions energy: -91.672
where: short stacking energy: -43.410
Base-Backbone interact. energy: -0.003
local terms energy: -46.196028
where:
bonds (distance) C4'-P energy: -9.850
bonds (distance) P-C4' energy: -8.625
flat angles C4'-P-C4' energy: -10.635
flat angles P-C4'-P energy: -6.882
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: 3, replica: 9
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -143.169542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.169542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.169542 (E_RNA)
where:
Base-Base interactions energy: -97.633
where: short stacking energy: -45.550
Base-Backbone interact. energy: -1.303
local terms energy: -44.233507
where:
bonds (distance) C4'-P energy: -8.964
bonds (distance) P-C4' energy: -9.218
flat angles C4'-P-C4' energy: -8.505
flat angles P-C4'-P energy: -7.282
tors. eta vs tors. theta energy: -10.265
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: 1
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -137.841829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.841829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.841829 (E_RNA)
where:
Base-Base interactions energy: -93.609
where: short stacking energy: -41.523
Base-Backbone interact. energy: -0.009
local terms energy: -44.224085
where:
bonds (distance) C4'-P energy: -9.121
bonds (distance) P-C4' energy: -8.429
flat angles C4'-P-C4' energy: -10.701
flat angles P-C4'-P energy: -6.869
tors. eta vs tors. theta energy: -9.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -129.976564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.976564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.976564 (E_RNA)
where:
Base-Base interactions energy: -92.693
where: short stacking energy: -34.702
Base-Backbone interact. energy: -1.519
local terms energy: -35.764907
where:
bonds (distance) C4'-P energy: -7.382
bonds (distance) P-C4' energy: -5.864
flat angles C4'-P-C4' energy: -6.869
flat angles P-C4'-P energy: -7.764
tors. eta vs tors. theta energy: -7.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -134.723088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.723088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.723088 (E_RNA)
where:
Base-Base interactions energy: -95.223
where: short stacking energy: -45.185
Base-Backbone interact. energy: -0.029
local terms energy: -39.471364
where:
bonds (distance) C4'-P energy: -7.250
bonds (distance) P-C4' energy: -7.494
flat angles C4'-P-C4' energy: -8.058
flat angles P-C4'-P energy: -5.372
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: 7, replica: 4
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -123.899456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.899456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.899456 (E_RNA)
where:
Base-Base interactions energy: -83.711
where: short stacking energy: -37.154
Base-Backbone interact. energy: 0.500
local terms energy: -40.688066
where:
bonds (distance) C4'-P energy: -9.121
bonds (distance) P-C4' energy: -7.497
flat angles C4'-P-C4' energy: -10.275
flat angles P-C4'-P energy: -6.268
tors. eta vs tors. theta energy: -7.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -103.264961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.264961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.264961 (E_RNA)
where:
Base-Base interactions energy: -71.535
where: short stacking energy: -28.258
Base-Backbone interact. energy: -0.028
local terms energy: -31.702320
where:
bonds (distance) C4'-P energy: -9.122
bonds (distance) P-C4' energy: -7.880
flat angles C4'-P-C4' energy: -9.129
flat angles P-C4'-P energy: -1.769
tors. eta vs tors. theta energy: -3.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -58.421550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.421550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.421550 (E_RNA)
where:
Base-Base interactions energy: -24.732
where: short stacking energy: -24.732
Base-Backbone interact. energy: -0.000
local terms energy: -33.688688
where:
bonds (distance) C4'-P energy: -8.296
bonds (distance) P-C4' energy: -9.500
flat angles C4'-P-C4' energy: -7.276
flat angles P-C4'-P energy: -3.865
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: 7
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -60.690934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.690934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.690934 (E_RNA)
where:
Base-Base interactions energy: -25.178
where: short stacking energy: -25.178
Base-Backbone interact. energy: -0.028
local terms energy: -35.484971
where:
bonds (distance) C4'-P energy: -8.235
bonds (distance) P-C4' energy: -7.218
flat angles C4'-P-C4' energy: -7.147
flat angles P-C4'-P energy: -6.344
tors. eta vs tors. theta energy: -6.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -142.796381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.796381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.796381 (E_RNA)
where:
Base-Base interactions energy: -94.648
where: short stacking energy: -46.056
Base-Backbone interact. energy: -0.965
local terms energy: -47.183412
where:
bonds (distance) C4'-P energy: -9.859
bonds (distance) P-C4' energy: -9.091
flat angles C4'-P-C4' energy: -10.655
flat angles P-C4'-P energy: -7.054
tors. eta vs tors. theta energy: -10.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -141.639393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.639393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.639393 (E_RNA)
where:
Base-Base interactions energy: -94.598
where: short stacking energy: -44.787
Base-Backbone interact. energy: -0.706
local terms energy: -46.334988
where:
bonds (distance) C4'-P energy: -8.430
bonds (distance) P-C4' energy: -8.479
flat angles C4'-P-C4' energy: -11.125
flat angles P-C4'-P energy: -7.575
tors. eta vs tors. theta energy: -10.726
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: 8
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -129.275219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.275219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.275219 (E_RNA)
where:
Base-Base interactions energy: -86.585
where: short stacking energy: -38.152
Base-Backbone interact. energy: -0.012
local terms energy: -42.678161
where:
bonds (distance) C4'-P energy: -8.653
bonds (distance) P-C4' energy: -9.799
flat angles C4'-P-C4' energy: -8.925
flat angles P-C4'-P energy: -6.874
tors. eta vs tors. theta energy: -8.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -139.489086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.489086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.489086 (E_RNA)
where:
Base-Base interactions energy: -106.008
where: short stacking energy: -40.453
Base-Backbone interact. energy: -0.146
local terms energy: -33.335405
where:
bonds (distance) C4'-P energy: -7.784
bonds (distance) P-C4' energy: -8.109
flat angles C4'-P-C4' energy: -8.062
flat angles P-C4'-P energy: -0.887
tors. eta vs tors. theta energy: -8.494
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: 1
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -132.910823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.910823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.910823 (E_RNA)
where:
Base-Base interactions energy: -92.387
where: short stacking energy: -44.112
Base-Backbone interact. energy: -0.004
local terms energy: -40.520367
where:
bonds (distance) C4'-P energy: -8.890
bonds (distance) P-C4' energy: -8.640
flat angles C4'-P-C4' energy: -8.962
flat angles P-C4'-P energy: -5.944
tors. eta vs tors. theta energy: -8.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -127.580432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.580432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.580432 (E_RNA)
where:
Base-Base interactions energy: -88.090
where: short stacking energy: -37.584
Base-Backbone interact. energy: -1.270
local terms energy: -38.220610
where:
bonds (distance) C4'-P energy: -9.192
bonds (distance) P-C4' energy: -10.419
flat angles C4'-P-C4' energy: -6.953
flat angles P-C4'-P energy: -4.892
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: 7, replica: 4
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -128.006347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.006347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.006347 (E_RNA)
where:
Base-Base interactions energy: -89.770
where: short stacking energy: -35.389
Base-Backbone interact. energy: -0.001
local terms energy: -38.234663
where:
bonds (distance) C4'-P energy: -5.925
bonds (distance) P-C4' energy: -7.554
flat angles C4'-P-C4' energy: -9.888
flat angles P-C4'-P energy: -6.082
tors. eta vs tors. theta energy: -8.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -63.882138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.882138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.882138 (E_RNA)
where:
Base-Base interactions energy: -25.828
where: short stacking energy: -25.828
Base-Backbone interact. energy: -0.024
local terms energy: -38.030131
where:
bonds (distance) C4'-P energy: -9.192
bonds (distance) P-C4' energy: -10.441
flat angles C4'-P-C4' energy: -7.491
flat angles P-C4'-P energy: -2.361
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: 9, replica: 2
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -84.102899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.102899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.102899 (E_RNA)
where:
Base-Base interactions energy: -50.540
where: short stacking energy: -33.891
Base-Backbone interact. energy: -0.183
local terms energy: -33.380827
where:
bonds (distance) C4'-P energy: -7.090
bonds (distance) P-C4' energy: -7.708
flat angles C4'-P-C4' energy: -10.057
flat angles P-C4'-P energy: -5.000
tors. eta vs tors. theta energy: -3.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -53.430129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.430129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.430129 (E_RNA)
where:
Base-Base interactions energy: -27.588
where: short stacking energy: -17.761
Base-Backbone interact. energy: -0.051
local terms energy: -25.790823
where:
bonds (distance) C4'-P energy: -5.640
bonds (distance) P-C4' energy: -11.106
flat angles C4'-P-C4' energy: -6.093
flat angles P-C4'-P energy: -2.689
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: 1, replica: 5
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -145.525725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.525725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.525725 (E_RNA)
where:
Base-Base interactions energy: -95.813
where: short stacking energy: -45.751
Base-Backbone interact. energy: -1.567
local terms energy: -48.145301
where:
bonds (distance) C4'-P energy: -8.931
bonds (distance) P-C4' energy: -10.211
flat angles C4'-P-C4' energy: -10.226
flat angles P-C4'-P energy: -8.083
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: 2, replica: 9
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -143.651409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.651409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.651409 (E_RNA)
where:
Base-Base interactions energy: -100.774
where: short stacking energy: -43.388
Base-Backbone interact. energy: -0.017
local terms energy: -42.860387
where:
bonds (distance) C4'-P energy: -9.399
bonds (distance) P-C4' energy: -10.190
flat angles C4'-P-C4' energy: -8.194
flat angles P-C4'-P energy: -6.312
tors. eta vs tors. theta energy: -8.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -136.255888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.255888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.255888 (E_RNA)
where:
Base-Base interactions energy: -95.460
where: short stacking energy: -44.004
Base-Backbone interact. energy: -0.018
local terms energy: -40.778248
where:
bonds (distance) C4'-P energy: -9.432
bonds (distance) P-C4' energy: -9.632
flat angles C4'-P-C4' energy: -6.452
flat angles P-C4'-P energy: -7.382
tors. eta vs tors. theta energy: -7.881
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: 4, replica: 8
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -139.961176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.961176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.961176 (E_RNA)
where:
Base-Base interactions energy: -93.133
where: short stacking energy: -42.624
Base-Backbone interact. energy: -0.577
local terms energy: -46.250534
where:
bonds (distance) C4'-P energy: -9.014
bonds (distance) P-C4' energy: -10.877
flat angles C4'-P-C4' energy: -10.595
flat angles P-C4'-P energy: -4.835
tors. eta vs tors. theta energy: -10.929
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: 10
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -138.236381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.236381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.236381 (E_RNA)
where:
Base-Base interactions energy: -93.305
where: short stacking energy: -44.915
Base-Backbone interact. energy: -0.815
local terms energy: -44.116999
where:
bonds (distance) C4'-P energy: -7.867
bonds (distance) P-C4' energy: -10.057
flat angles C4'-P-C4' energy: -8.665
flat angles P-C4'-P energy: -7.050
tors. eta vs tors. theta energy: -10.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -129.559915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.559915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.559915 (E_RNA)
where:
Base-Base interactions energy: -95.719
where: short stacking energy: -39.737
Base-Backbone interact. energy: -0.048
local terms energy: -33.793156
where:
bonds (distance) C4'-P energy: -6.618
bonds (distance) P-C4' energy: -8.003
flat angles C4'-P-C4' energy: -6.595
flat angles P-C4'-P energy: -3.026
tors. eta vs tors. theta energy: -9.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -129.903032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.903032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.903032 (E_RNA)
where:
Base-Base interactions energy: -92.427
where: short stacking energy: -38.473
Base-Backbone interact. energy: -0.196
local terms energy: -37.280779
where:
bonds (distance) C4'-P energy: -8.172
bonds (distance) P-C4' energy: -8.196
flat angles C4'-P-C4' energy: -9.916
flat angles P-C4'-P energy: 0.177
tors. eta vs tors. theta energy: -11.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -55.331975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.331975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.331975 (E_RNA)
where:
Base-Base interactions energy: -30.413
where: short stacking energy: -11.805
Base-Backbone interact. energy: -0.016
local terms energy: -24.903654
where:
bonds (distance) C4'-P energy: -7.949
bonds (distance) P-C4' energy: -7.898
flat angles C4'-P-C4' energy: -6.889
flat angles P-C4'-P energy: -3.550
tors. eta vs tors. theta energy: 1.382
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: 2
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -65.461860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.461860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.461860 (E_RNA)
where:
Base-Base interactions energy: -35.699
where: short stacking energy: -22.965
Base-Backbone interact. energy: 0.188
local terms energy: -29.950640
where:
bonds (distance) C4'-P energy: -5.292
bonds (distance) P-C4' energy: -9.263
flat angles C4'-P-C4' energy: -6.992
flat angles P-C4'-P energy: -3.629
tors. eta vs tors. theta energy: -4.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -56.185857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.185857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.185857 (E_RNA)
where:
Base-Base interactions energy: -26.240
where: short stacking energy: -24.411
Base-Backbone interact. energy: -0.048
local terms energy: -29.897553
where:
bonds (distance) C4'-P energy: -5.722
bonds (distance) P-C4' energy: -5.263
flat angles C4'-P-C4' energy: -9.098
flat angles P-C4'-P energy: -7.614
tors. eta vs tors. theta energy: -2.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -144.800282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.800282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.800282 (E_RNA)
where:
Base-Base interactions energy: -102.965
where: short stacking energy: -43.819
Base-Backbone interact. energy: 0.372
local terms energy: -42.206921
where:
bonds (distance) C4'-P energy: -6.865
bonds (distance) P-C4' energy: -9.954
flat angles C4'-P-C4' energy: -8.277
flat angles P-C4'-P energy: -6.928
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: 2, replica: 3
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -135.283555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.283555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.283555 (E_RNA)
where:
Base-Base interactions energy: -95.117
where: short stacking energy: -46.333
Base-Backbone interact. energy: -0.028
local terms energy: -40.138345
where:
bonds (distance) C4'-P energy: -9.040
bonds (distance) P-C4' energy: -8.776
flat angles C4'-P-C4' energy: -7.684
flat angles P-C4'-P energy: -6.673
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: 3, replica: 9
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -139.611561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.611561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.611561 (E_RNA)
where:
Base-Base interactions energy: -95.206
where: short stacking energy: -45.229
Base-Backbone interact. energy: -0.002
local terms energy: -44.403590
where:
bonds (distance) C4'-P energy: -8.517
bonds (distance) P-C4' energy: -9.978
flat angles C4'-P-C4' energy: -8.573
flat angles P-C4'-P energy: -7.133
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: 4, replica: 8
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -139.589619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.589619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.589619 (E_RNA)
where:
Base-Base interactions energy: -94.238
where: short stacking energy: -45.261
Base-Backbone interact. energy: -0.019
local terms energy: -45.332831
where:
bonds (distance) C4'-P energy: -8.439
bonds (distance) P-C4' energy: -9.914
flat angles C4'-P-C4' energy: -9.571
flat angles P-C4'-P energy: -6.732
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: 5, replica: 10
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -133.735302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.735302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.735302 (E_RNA)
where:
Base-Base interactions energy: -90.999
where: short stacking energy: -42.460
Base-Backbone interact. energy: -0.003
local terms energy: -42.732520
where:
bonds (distance) C4'-P energy: -6.807
bonds (distance) P-C4' energy: -11.103
flat angles C4'-P-C4' energy: -9.016
flat angles P-C4'-P energy: -5.226
tors. eta vs tors. theta energy: -10.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -131.124466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.124466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.124466 (E_RNA)
where:
Base-Base interactions energy: -92.518
where: short stacking energy: -36.146
Base-Backbone interact. energy: -0.246
local terms energy: -38.360484
where:
bonds (distance) C4'-P energy: -8.443
bonds (distance) P-C4' energy: -7.843
flat angles C4'-P-C4' energy: -9.022
flat angles P-C4'-P energy: -3.457
tors. eta vs tors. theta energy: -9.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -127.826058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.826058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.826058 (E_RNA)
where:
Base-Base interactions energy: -85.452
where: short stacking energy: -35.928
Base-Backbone interact. energy: -0.050
local terms energy: -42.323550
where:
bonds (distance) C4'-P energy: -10.608
bonds (distance) P-C4' energy: -10.659
flat angles C4'-P-C4' energy: -8.007
flat angles P-C4'-P energy: -7.370
tors. eta vs tors. theta energy: -5.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -61.002214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.002214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.002214 (E_RNA)
where:
Base-Base interactions energy: -27.803
where: short stacking energy: -27.803
Base-Backbone interact. energy: -1.352
local terms energy: -31.847565
where:
bonds (distance) C4'-P energy: -6.965
bonds (distance) P-C4' energy: -8.059
flat angles C4'-P-C4' energy: -4.228
flat angles P-C4'-P energy: -6.107
tors. eta vs tors. theta energy: -6.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -70.708138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.708138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.708138 (E_RNA)
where:
Base-Base interactions energy: -39.955
where: short stacking energy: -23.450
Base-Backbone interact. energy: -0.138
local terms energy: -30.615209
where:
bonds (distance) C4'-P energy: -6.411
bonds (distance) P-C4' energy: -9.395
flat angles C4'-P-C4' energy: -8.913
flat angles P-C4'-P energy: -4.318
tors. eta vs tors. theta energy: -1.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -61.620849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.620849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.620849 (E_RNA)
where:
Base-Base interactions energy: -30.974
where: short stacking energy: -30.974
Base-Backbone interact. energy: -0.044
local terms energy: -30.603157
where:
bonds (distance) C4'-P energy: -3.908
bonds (distance) P-C4' energy: -9.274
flat angles C4'-P-C4' energy: -8.209
flat angles P-C4'-P energy: -3.099
tors. eta vs tors. theta energy: -6.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -140.033753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.033753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.033753 (E_RNA)
where:
Base-Base interactions energy: -96.704
where: short stacking energy: -45.320
Base-Backbone interact. energy: -0.082
local terms energy: -43.247285
where:
bonds (distance) C4'-P energy: -9.867
bonds (distance) P-C4' energy: -9.925
flat angles C4'-P-C4' energy: -9.574
flat angles P-C4'-P energy: -4.645
tors. eta vs tors. theta energy: -9.236
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: 5
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -141.719410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.719410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.719410 (E_RNA)
where:
Base-Base interactions energy: -92.881
where: short stacking energy: -42.219
Base-Backbone interact. energy: -0.835
local terms energy: -48.003086
where:
bonds (distance) C4'-P energy: -10.276
bonds (distance) P-C4' energy: -10.884
flat angles C4'-P-C4' energy: -8.380
flat angles P-C4'-P energy: -6.251
tors. eta vs tors. theta energy: -12.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -139.986525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.986525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.986525 (E_RNA)
where:
Base-Base interactions energy: -96.322
where: short stacking energy: -43.831
Base-Backbone interact. energy: -1.649
local terms energy: -42.015171
where:
bonds (distance) C4'-P energy: -6.734
bonds (distance) P-C4' energy: -10.855
flat angles C4'-P-C4' energy: -6.782
flat angles P-C4'-P energy: -7.257
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: 4, replica: 8
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -136.758654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.758654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.758654 (E_RNA)
where:
Base-Base interactions energy: -93.436
where: short stacking energy: -43.227
Base-Backbone interact. energy: -0.724
local terms energy: -42.598934
where:
bonds (distance) C4'-P energy: -9.280
bonds (distance) P-C4' energy: -9.514
flat angles C4'-P-C4' energy: -8.402
flat angles P-C4'-P energy: -7.098
tors. eta vs tors. theta energy: -8.306
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: 1
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -128.594040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.594040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.594040 (E_RNA)
where:
Base-Base interactions energy: -88.995
where: short stacking energy: -42.792
Base-Backbone interact. energy: -0.277
local terms energy: -39.322832
where:
bonds (distance) C4'-P energy: -8.323
bonds (distance) P-C4' energy: -8.203
flat angles C4'-P-C4' energy: -7.359
flat angles P-C4'-P energy: -6.680
tors. eta vs tors. theta energy: -8.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -131.440150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.440150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.440150 (E_RNA)
where:
Base-Base interactions energy: -94.881
where: short stacking energy: -44.150
Base-Backbone interact. energy: 2.420
local terms energy: -38.979123
where:
bonds (distance) C4'-P energy: -6.360
bonds (distance) P-C4' energy: -10.215
flat angles C4'-P-C4' energy: -8.911
flat angles P-C4'-P energy: -4.266
tors. eta vs tors. theta energy: -9.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -127.507895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.507895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.507895 (E_RNA)
where:
Base-Base interactions energy: -87.093
where: short stacking energy: -37.571
Base-Backbone interact. energy: -0.104
local terms energy: -40.310206
where:
bonds (distance) C4'-P energy: -9.092
bonds (distance) P-C4' energy: -8.858
flat angles C4'-P-C4' energy: -6.384
flat angles P-C4'-P energy: -4.902
tors. eta vs tors. theta energy: -11.074
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: 240
Temperature: 1.250000
Total energy: -61.345818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.345818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.345818 (E_RNA)
where:
Base-Base interactions energy: -29.569
where: short stacking energy: -18.935
Base-Backbone interact. energy: -0.014
local terms energy: -31.763161
where:
bonds (distance) C4'-P energy: -9.361
bonds (distance) P-C4' energy: -7.932
flat angles C4'-P-C4' energy: -5.606
flat angles P-C4'-P energy: -5.480
tors. eta vs tors. theta energy: -3.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -63.225967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.225967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.225967 (E_RNA)
where:
Base-Base interactions energy: -40.694
where: short stacking energy: -24.615
Base-Backbone interact. energy: -0.076
local terms energy: -22.455760
where:
bonds (distance) C4'-P energy: -4.945
bonds (distance) P-C4' energy: -8.354
flat angles C4'-P-C4' energy: -8.140
flat angles P-C4'-P energy: -1.196
tors. eta vs tors. theta energy: 0.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -54.138303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.138303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.138303 (E_RNA)
where:
Base-Base interactions energy: -25.012
where: short stacking energy: -25.012
Base-Backbone interact. energy: -0.234
local terms energy: -28.892361
where:
bonds (distance) C4'-P energy: -8.613
bonds (distance) P-C4' energy: -9.993
flat angles C4'-P-C4' energy: -6.251
flat angles P-C4'-P energy: -1.943
tors. eta vs tors. theta energy: -2.091
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: 3
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -140.303271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.303271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.303271 (E_RNA)
where:
Base-Base interactions energy: -96.466
where: short stacking energy: -44.427
Base-Backbone interact. energy: -0.018
local terms energy: -43.819425
where:
bonds (distance) C4'-P energy: -9.146
bonds (distance) P-C4' energy: -9.348
flat angles C4'-P-C4' energy: -9.355
flat angles P-C4'-P energy: -6.694
tors. eta vs tors. theta energy: -9.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -138.345240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.345240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.345240 (E_RNA)
where:
Base-Base interactions energy: -95.664
where: short stacking energy: -41.339
Base-Backbone interact. energy: -0.995
local terms energy: -41.685891
where:
bonds (distance) C4'-P energy: -7.026
bonds (distance) P-C4' energy: -9.912
flat angles C4'-P-C4' energy: -7.384
flat angles P-C4'-P energy: -6.998
tors. eta vs tors. theta energy: -10.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -138.460158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.460158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.460158 (E_RNA)
where:
Base-Base interactions energy: -97.568
where: short stacking energy: -40.028
Base-Backbone interact. energy: -0.031
local terms energy: -40.860567
where:
bonds (distance) C4'-P energy: -10.099
bonds (distance) P-C4' energy: -9.957
flat angles C4'-P-C4' energy: -10.056
flat angles P-C4'-P energy: -2.219
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: 4, replica: 1
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -137.443714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.443714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.443714 (E_RNA)
where:
Base-Base interactions energy: -93.749
where: short stacking energy: -44.924
Base-Backbone interact. energy: -0.001
local terms energy: -43.693982
where:
bonds (distance) C4'-P energy: -10.177
bonds (distance) P-C4' energy: -11.339
flat angles C4'-P-C4' energy: -9.008
flat angles P-C4'-P energy: -3.847
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: 5, replica: 8
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -135.622784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.622784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.622784 (E_RNA)
where:
Base-Base interactions energy: -96.175
where: short stacking energy: -45.914
Base-Backbone interact. energy: -0.130
local terms energy: -39.318340
where:
bonds (distance) C4'-P energy: -8.757
bonds (distance) P-C4' energy: -6.450
flat angles C4'-P-C4' energy: -9.122
flat angles P-C4'-P energy: -3.811
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: 4
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -131.349466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.349466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.349466 (E_RNA)
where:
Base-Base interactions energy: -94.899
where: short stacking energy: -42.524
Base-Backbone interact. energy: 2.068
local terms energy: -38.519361
where:
bonds (distance) C4'-P energy: -9.262
bonds (distance) P-C4' energy: -5.274
flat angles C4'-P-C4' energy: -9.215
flat angles P-C4'-P energy: -6.084
tors. eta vs tors. theta energy: -8.685
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: 7, replica: 10
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -132.368617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.368617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.368617 (E_RNA)
where:
Base-Base interactions energy: -90.188
where: short stacking energy: -39.650
Base-Backbone interact. energy: -1.145
local terms energy: -41.035448
where:
bonds (distance) C4'-P energy: -7.084
bonds (distance) P-C4' energy: -9.137
flat angles C4'-P-C4' energy: -8.257
flat angles P-C4'-P energy: -8.000
tors. eta vs tors. theta energy: -8.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -65.031396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.031396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.031396 (E_RNA)
where:
Base-Base interactions energy: -31.992
where: short stacking energy: -22.154
Base-Backbone interact. energy: -0.150
local terms energy: -32.889613
where:
bonds (distance) C4'-P energy: -7.205
bonds (distance) P-C4' energy: -8.386
flat angles C4'-P-C4' energy: -8.096
flat angles P-C4'-P energy: -4.705
tors. eta vs tors. theta energy: -4.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -56.924215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.924215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.924215 (E_RNA)
where:
Base-Base interactions energy: -22.544
where: short stacking energy: -19.658
Base-Backbone interact. energy: -0.008
local terms energy: -34.371714
where:
bonds (distance) C4'-P energy: -8.836
bonds (distance) P-C4' energy: -10.612
flat angles C4'-P-C4' energy: -6.461
flat angles P-C4'-P energy: -7.391
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: 10, replica: 6
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -63.943762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.943762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.943762 (E_RNA)
where:
Base-Base interactions energy: -31.481
where: short stacking energy: -23.916
Base-Backbone interact. energy: -0.008
local terms energy: -32.455159
where:
bonds (distance) C4'-P energy: -4.311
bonds (distance) P-C4' energy: -7.896
flat angles C4'-P-C4' energy: -5.732
flat angles P-C4'-P energy: -8.538
tors. eta vs tors. theta energy: -5.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -147.236957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.236957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.236957 (E_RNA)
where:
Base-Base interactions energy: -103.590
where: short stacking energy: -45.868
Base-Backbone interact. energy: -0.054
local terms energy: -43.592759
where:
bonds (distance) C4'-P energy: -8.802
bonds (distance) P-C4' energy: -9.901
flat angles C4'-P-C4' energy: -9.142
flat angles P-C4'-P energy: -7.463
tors. eta vs tors. theta energy: -8.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -140.431173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.431173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.431173 (E_RNA)
where:
Base-Base interactions energy: -96.276
where: short stacking energy: -45.867
Base-Backbone interact. energy: -0.010
local terms energy: -44.145651
where:
bonds (distance) C4'-P energy: -9.822
bonds (distance) P-C4' energy: -9.669
flat angles C4'-P-C4' energy: -8.670
flat angles P-C4'-P energy: -5.411
tors. eta vs tors. theta energy: -10.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -137.418572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.418572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.418572 (E_RNA)
where:
Base-Base interactions energy: -94.786
where: short stacking energy: -38.081
Base-Backbone interact. energy: 0.261
local terms energy: -42.893433
where:
bonds (distance) C4'-P energy: -10.454
bonds (distance) P-C4' energy: -9.503
flat angles C4'-P-C4' energy: -7.196
flat angles P-C4'-P energy: -7.266
tors. eta vs tors. theta energy: -8.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -138.214705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.214705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.214705 (E_RNA)
where:
Base-Base interactions energy: -93.458
where: short stacking energy: -44.360
Base-Backbone interact. energy: -1.822
local terms energy: -42.934870
where:
bonds (distance) C4'-P energy: -9.204
bonds (distance) P-C4' energy: -7.990
flat angles C4'-P-C4' energy: -8.910
flat angles P-C4'-P energy: -7.309
tors. eta vs tors. theta energy: -9.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -134.165253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.165253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.165253 (E_RNA)
where:
Base-Base interactions energy: -90.902
where: short stacking energy: -39.821
Base-Backbone interact. energy: -0.712
local terms energy: -42.551485
where:
bonds (distance) C4'-P energy: -9.138
bonds (distance) P-C4' energy: -8.386
flat angles C4'-P-C4' energy: -9.822
flat angles P-C4'-P energy: -5.842
tors. eta vs tors. theta energy: -9.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -128.170561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.170561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.170561 (E_RNA)
where:
Base-Base interactions energy: -92.569
where: short stacking energy: -42.323
Base-Backbone interact. energy: -0.643
local terms energy: -34.958697
where:
bonds (distance) C4'-P energy: -7.783
bonds (distance) P-C4' energy: -9.482
flat angles C4'-P-C4' energy: -8.412
flat angles P-C4'-P energy: -3.399
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: 10
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -137.846184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.846184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.846184 (E_RNA)
where:
Base-Base interactions energy: -93.215
where: short stacking energy: -42.788
Base-Backbone interact. energy: -0.764
local terms energy: -43.866949
where:
bonds (distance) C4'-P energy: -9.983
bonds (distance) P-C4' energy: -8.214
flat angles C4'-P-C4' energy: -8.490
flat angles P-C4'-P energy: -6.888
tors. eta vs tors. theta energy: -10.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -68.115226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.115226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.115226 (E_RNA)
where:
Base-Base interactions energy: -35.800
where: short stacking energy: -27.942
Base-Backbone interact. energy: -0.078
local terms energy: -32.237457
where:
bonds (distance) C4'-P energy: -7.900
bonds (distance) P-C4' energy: -8.162
flat angles C4'-P-C4' energy: -8.395
flat angles P-C4'-P energy: -2.029
tors. eta vs tors. theta energy: -5.751
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: 9, replica: 6
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -57.320565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.320565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.320565 (E_RNA)
where:
Base-Base interactions energy: -21.785
where: short stacking energy: -21.785
Base-Backbone interact. energy: -0.044
local terms energy: -35.492223
where:
bonds (distance) C4'-P energy: -7.303
bonds (distance) P-C4' energy: -9.370
flat angles C4'-P-C4' energy: -10.313
flat angles P-C4'-P energy: -4.503
tors. eta vs tors. theta energy: -4.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -54.854616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.854616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.854616 (E_RNA)
where:
Base-Base interactions energy: -30.806
where: short stacking energy: -30.806
Base-Backbone interact. energy: -0.076
local terms energy: -23.972569
where:
bonds (distance) C4'-P energy: -4.895
bonds (distance) P-C4' energy: -7.379
flat angles C4'-P-C4' energy: -7.673
flat angles P-C4'-P energy: -2.991
tors. eta vs tors. theta energy: -1.034
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: 3
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -143.672762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.672762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.672762 (E_RNA)
where:
Base-Base interactions energy: -94.668
where: short stacking energy: -42.319
Base-Backbone interact. energy: -0.020
local terms energy: -48.985268
where:
bonds (distance) C4'-P energy: -10.231
bonds (distance) P-C4' energy: -11.346
flat angles C4'-P-C4' energy: -9.790
flat angles P-C4'-P energy: -6.518
tors. eta vs tors. theta energy: -11.101
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: 1
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -137.497169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.497169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.497169 (E_RNA)
where:
Base-Base interactions energy: -96.824
where: short stacking energy: -45.784
Base-Backbone interact. energy: -0.132
local terms energy: -40.541558
where:
bonds (distance) C4'-P energy: -9.887
bonds (distance) P-C4' energy: -7.991
flat angles C4'-P-C4' energy: -8.802
flat angles P-C4'-P energy: -6.045
tors. eta vs tors. theta energy: -7.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -130.639428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.639428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.639428 (E_RNA)
where:
Base-Base interactions energy: -85.333
where: short stacking energy: -40.095
Base-Backbone interact. energy: -0.033
local terms energy: -45.274237
where:
bonds (distance) C4'-P energy: -10.570
bonds (distance) P-C4' energy: -9.091
flat angles C4'-P-C4' energy: -9.523
flat angles P-C4'-P energy: -5.435
tors. eta vs tors. theta energy: -10.656
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: 4, replica: 4
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -139.802037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.802037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.802037 (E_RNA)
where:
Base-Base interactions energy: -94.782
where: short stacking energy: -45.166
Base-Backbone interact. energy: -1.953
local terms energy: -43.066526
where:
bonds (distance) C4'-P energy: -9.991
bonds (distance) P-C4' energy: -7.042
flat angles C4'-P-C4' energy: -6.849
flat angles P-C4'-P energy: -8.343
tors. eta vs tors. theta energy: -10.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -138.062157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.062157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.062157 (E_RNA)
where:
Base-Base interactions energy: -94.094
where: short stacking energy: -44.993
Base-Backbone interact. energy: -1.337
local terms energy: -42.630646
where:
bonds (distance) C4'-P energy: -7.921
bonds (distance) P-C4' energy: -8.284
flat angles C4'-P-C4' energy: -8.893
flat angles P-C4'-P energy: -6.711
tors. eta vs tors. theta energy: -10.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -133.904280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.904280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.904280 (E_RNA)
where:
Base-Base interactions energy: -90.618
where: short stacking energy: -39.433
Base-Backbone interact. energy: -0.646
local terms energy: -42.640812
where:
bonds (distance) C4'-P energy: -7.495
bonds (distance) P-C4' energy: -9.827
flat angles C4'-P-C4' energy: -8.492
flat angles P-C4'-P energy: -6.066
tors. eta vs tors. theta energy: -10.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -124.013242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.013242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.013242 (E_RNA)
where:
Base-Base interactions energy: -87.937
where: short stacking energy: -34.932
Base-Backbone interact. energy: -0.213
local terms energy: -35.863199
where:
bonds (distance) C4'-P energy: -9.921
bonds (distance) P-C4' energy: -7.417
flat angles C4'-P-C4' energy: -7.970
flat angles P-C4'-P energy: -3.338
tors. eta vs tors. theta energy: -7.218
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: 8, replica: 6
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -75.049267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.049267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.049267 (E_RNA)
where:
Base-Base interactions energy: -34.448
where: short stacking energy: -34.448
Base-Backbone interact. energy: -0.116
local terms energy: -40.485467
where:
bonds (distance) C4'-P energy: -9.192
bonds (distance) P-C4' energy: -9.190
flat angles C4'-P-C4' energy: -7.815
flat angles P-C4'-P energy: -5.325
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: 9, replica: 7
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -53.800173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.800173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.800173 (E_RNA)
where:
Base-Base interactions energy: -22.336
where: short stacking energy: -22.046
Base-Backbone interact. energy: -0.039
local terms energy: -31.424545
where:
bonds (distance) C4'-P energy: -8.032
bonds (distance) P-C4' energy: -9.175
flat angles C4'-P-C4' energy: -8.642
flat angles P-C4'-P energy: -5.596
tors. eta vs tors. theta energy: 0.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -56.907046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.907046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.907046 (E_RNA)
where:
Base-Base interactions energy: -25.183
where: short stacking energy: -25.183
Base-Backbone interact. energy: -0.024
local terms energy: -31.699147
where:
bonds (distance) C4'-P energy: -8.889
bonds (distance) P-C4' energy: -4.681
flat angles C4'-P-C4' energy: -5.264
flat angles P-C4'-P energy: -6.041
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: 1, replica: 1
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -142.925999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.925999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.925999 (E_RNA)
where:
Base-Base interactions energy: -95.241
where: short stacking energy: -44.441
Base-Backbone interact. energy: -0.680
local terms energy: -47.005706
where:
bonds (distance) C4'-P energy: -9.278
bonds (distance) P-C4' energy: -10.416
flat angles C4'-P-C4' energy: -9.546
flat angles P-C4'-P energy: -7.322
tors. eta vs tors. theta energy: -10.444
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: 3
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -144.038793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.038793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.038793 (E_RNA)
where:
Base-Base interactions energy: -107.105
where: short stacking energy: -43.004
Base-Backbone interact. energy: -0.108
local terms energy: -36.825943
where:
bonds (distance) C4'-P energy: -7.428
bonds (distance) P-C4' energy: -10.891
flat angles C4'-P-C4' energy: -7.312
flat angles P-C4'-P energy: -0.412
tors. eta vs tors. theta energy: -10.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -143.521911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.521911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.521911 (E_RNA)
where:
Base-Base interactions energy: -106.954
where: short stacking energy: -43.607
Base-Backbone interact. energy: -0.022
local terms energy: -36.546553
where:
bonds (distance) C4'-P energy: -9.477
bonds (distance) P-C4' energy: -5.739
flat angles C4'-P-C4' energy: -9.783
flat angles P-C4'-P energy: -1.029
tors. eta vs tors. theta energy: -10.519
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: 4, replica: 9
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -138.298762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.298762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.298762 (E_RNA)
where:
Base-Base interactions energy: -93.618
where: short stacking energy: -43.568
Base-Backbone interact. energy: -0.154
local terms energy: -44.526579
where:
bonds (distance) C4'-P energy: -7.234
bonds (distance) P-C4' energy: -10.585
flat angles C4'-P-C4' energy: -7.835
flat angles P-C4'-P energy: -8.774
tors. eta vs tors. theta energy: -10.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -133.655977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.655977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.655977 (E_RNA)
where:
Base-Base interactions energy: -94.386
where: short stacking energy: -42.892
Base-Backbone interact. energy: -0.216
local terms energy: -39.053127
where:
bonds (distance) C4'-P energy: -6.315
bonds (distance) P-C4' energy: -10.852
flat angles C4'-P-C4' energy: -6.553
flat angles P-C4'-P energy: -4.817
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: 5
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -134.153151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.153151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.153151 (E_RNA)
where:
Base-Base interactions energy: -93.455
where: short stacking energy: -37.636
Base-Backbone interact. energy: -0.010
local terms energy: -40.687958
where:
bonds (distance) C4'-P energy: -9.503
bonds (distance) P-C4' energy: -9.348
flat angles C4'-P-C4' energy: -11.522
flat angles P-C4'-P energy: -1.069
tors. eta vs tors. theta energy: -9.246
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: 8
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -124.621841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.621841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.621841 (E_RNA)
where:
Base-Base interactions energy: -87.410
where: short stacking energy: -39.243
Base-Backbone interact. energy: -0.573
local terms energy: -36.638606
where:
bonds (distance) C4'-P energy: -6.936
bonds (distance) P-C4' energy: -10.183
flat angles C4'-P-C4' energy: -5.908
flat angles P-C4'-P energy: -4.769
tors. eta vs tors. theta energy: -8.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -69.501820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.501820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.501820 (E_RNA)
where:
Base-Base interactions energy: -34.878
where: short stacking energy: -29.987
Base-Backbone interact. energy: -0.005
local terms energy: -34.619128
where:
bonds (distance) C4'-P energy: -7.328
bonds (distance) P-C4' energy: -8.107
flat angles C4'-P-C4' energy: -8.296
flat angles P-C4'-P energy: -5.042
tors. eta vs tors. theta energy: -5.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -59.770001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.770001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.770001 (E_RNA)
where:
Base-Base interactions energy: -31.916
where: short stacking energy: -20.613
Base-Backbone interact. energy: -0.205
local terms energy: -27.648813
where:
bonds (distance) C4'-P energy: -5.359
bonds (distance) P-C4' energy: -9.317
flat angles C4'-P-C4' energy: -7.277
flat angles P-C4'-P energy: -3.717
tors. eta vs tors. theta energy: -1.980
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: 7
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -56.837762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.837762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.837762 (E_RNA)
where:
Base-Base interactions energy: -26.136
where: short stacking energy: -24.491
Base-Backbone interact. energy: -0.176
local terms energy: -30.525393
where:
bonds (distance) C4'-P energy: -9.635
bonds (distance) P-C4' energy: -7.800
flat angles C4'-P-C4' energy: -9.727
flat angles P-C4'-P energy: 3.222
tors. eta vs tors. theta energy: -6.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -141.308280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.308280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.308280 (E_RNA)
where:
Base-Base interactions energy: -96.134
where: short stacking energy: -44.295
Base-Backbone interact. energy: -0.742
local terms energy: -44.431951
where:
bonds (distance) C4'-P energy: -9.539
bonds (distance) P-C4' energy: -8.663
flat angles C4'-P-C4' energy: -8.146
flat angles P-C4'-P energy: -7.444
tors. eta vs tors. theta energy: -10.640
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: 245
Temperature: 0.950000
Total energy: -138.932469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.932469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.932469 (E_RNA)
where:
Base-Base interactions energy: -93.974
where: short stacking energy: -42.727
Base-Backbone interact. energy: -0.742
local terms energy: -44.216859
where:
bonds (distance) C4'-P energy: -9.386
bonds (distance) P-C4' energy: -8.690
flat angles C4'-P-C4' energy: -8.472
flat angles P-C4'-P energy: -8.567
tors. eta vs tors. theta energy: -9.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -139.376411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.376411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.376411 (E_RNA)
where:
Base-Base interactions energy: -91.034
where: short stacking energy: -43.681
Base-Backbone interact. energy: -0.388
local terms energy: -47.955138
where:
bonds (distance) C4'-P energy: -9.158
bonds (distance) P-C4' energy: -10.649
flat angles C4'-P-C4' energy: -9.788
flat angles P-C4'-P energy: -8.998
tors. eta vs tors. theta energy: -9.363
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: 4, replica: 10
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -140.098595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.098595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.098595 (E_RNA)
where:
Base-Base interactions energy: -91.629
where: short stacking energy: -46.048
Base-Backbone interact. energy: -1.146
local terms energy: -47.323905
where:
bonds (distance) C4'-P energy: -8.359
bonds (distance) P-C4' energy: -10.348
flat angles C4'-P-C4' energy: -9.984
flat angles P-C4'-P energy: -8.089
tors. eta vs tors. theta energy: -10.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -139.454477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.454477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.454477 (E_RNA)
where:
Base-Base interactions energy: -94.088
where: short stacking energy: -43.191
Base-Backbone interact. energy: 0.364
local terms energy: -45.730976
where:
bonds (distance) C4'-P energy: -10.090
bonds (distance) P-C4' energy: -9.570
flat angles C4'-P-C4' energy: -8.858
flat angles P-C4'-P energy: -7.917
tors. eta vs tors. theta energy: -9.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -136.269836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.269836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.269836 (E_RNA)
where:
Base-Base interactions energy: -96.108
where: short stacking energy: -41.109
Base-Backbone interact. energy: -0.565
local terms energy: -39.596792
where:
bonds (distance) C4'-P energy: -8.662
bonds (distance) P-C4' energy: -9.109
flat angles C4'-P-C4' energy: -9.558
flat angles P-C4'-P energy: -4.621
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: 7, replica: 5
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -128.754877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.754877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.754877 (E_RNA)
where:
Base-Base interactions energy: -87.600
where: short stacking energy: -38.830
Base-Backbone interact. energy: -0.010
local terms energy: -41.145091
where:
bonds (distance) C4'-P energy: -8.687
bonds (distance) P-C4' energy: -10.327
flat angles C4'-P-C4' energy: -7.889
flat angles P-C4'-P energy: -4.558
tors. eta vs tors. theta energy: -9.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -72.976042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.976042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.976042 (E_RNA)
where:
Base-Base interactions energy: -34.831
where: short stacking energy: -32.195
Base-Backbone interact. energy: -0.004
local terms energy: -38.141309
where:
bonds (distance) C4'-P energy: -9.237
bonds (distance) P-C4' energy: -9.897
flat angles C4'-P-C4' energy: -8.900
flat angles P-C4'-P energy: -3.670
tors. eta vs tors. theta energy: -6.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -59.722988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.722988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.722988 (E_RNA)
where:
Base-Base interactions energy: -30.974
where: short stacking energy: -20.151
Base-Backbone interact. energy: -0.200
local terms energy: -28.549250
where:
bonds (distance) C4'-P energy: -7.296
bonds (distance) P-C4' energy: -10.175
flat angles C4'-P-C4' energy: -6.535
flat angles P-C4'-P energy: -6.833
tors. eta vs tors. theta energy: 2.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -58.982350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.982350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.982350 (E_RNA)
where:
Base-Base interactions energy: -26.768
where: short stacking energy: -26.768
Base-Backbone interact. energy: -0.081
local terms energy: -32.133219
where:
bonds (distance) C4'-P energy: -6.155
bonds (distance) P-C4' energy: -9.693
flat angles C4'-P-C4' energy: -7.388
flat angles P-C4'-P energy: -3.218
tors. eta vs tors. theta energy: -5.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -142.288626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.288626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.288626 (E_RNA)
where:
Base-Base interactions energy: -97.998
where: short stacking energy: -44.956
Base-Backbone interact. energy: -0.370
local terms energy: -43.920194
where:
bonds (distance) C4'-P energy: -9.929
bonds (distance) P-C4' energy: -9.247
flat angles C4'-P-C4' energy: -9.161
flat angles P-C4'-P energy: -7.163
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: 2, replica: 1
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -139.938507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.938507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.938507 (E_RNA)
where:
Base-Base interactions energy: -93.794
where: short stacking energy: -44.729
Base-Backbone interact. energy: -0.521
local terms energy: -45.624190
where:
bonds (distance) C4'-P energy: -9.680
bonds (distance) P-C4' energy: -9.116
flat angles C4'-P-C4' energy: -10.534
flat angles P-C4'-P energy: -7.118
tors. eta vs tors. theta energy: -9.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -136.741083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.741083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.741083 (E_RNA)
where:
Base-Base interactions energy: -92.700
where: short stacking energy: -43.089
Base-Backbone interact. energy: -0.015
local terms energy: -44.025945
where:
bonds (distance) C4'-P energy: -6.327
bonds (distance) P-C4' energy: -10.616
flat angles C4'-P-C4' energy: -10.880
flat angles P-C4'-P energy: -6.731
tors. eta vs tors. theta energy: -9.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -139.673001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.673001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.673001 (E_RNA)
where:
Base-Base interactions energy: -96.302
where: short stacking energy: -39.204
Base-Backbone interact. energy: -0.228
local terms energy: -43.142534
where:
bonds (distance) C4'-P energy: -7.237
bonds (distance) P-C4' energy: -10.190
flat angles C4'-P-C4' energy: -10.843
flat angles P-C4'-P energy: -6.229
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: 9
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -136.701390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.701390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.701390 (E_RNA)
where:
Base-Base interactions energy: -95.347
where: short stacking energy: -43.430
Base-Backbone interact. energy: -0.664
local terms energy: -40.690243
where:
bonds (distance) C4'-P energy: -8.251
bonds (distance) P-C4' energy: -10.659
flat angles C4'-P-C4' energy: -4.555
flat angles P-C4'-P energy: -7.125
tors. eta vs tors. theta energy: -10.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -127.016703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.016703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.016703 (E_RNA)
where:
Base-Base interactions energy: -89.213
where: short stacking energy: -38.916
Base-Backbone interact. energy: -1.316
local terms energy: -36.487509
where:
bonds (distance) C4'-P energy: -5.871
bonds (distance) P-C4' energy: -7.681
flat angles C4'-P-C4' energy: -8.202
flat angles P-C4'-P energy: -8.537
tors. eta vs tors. theta energy: -6.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -60.618019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.618019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.618019 (E_RNA)
where:
Base-Base interactions energy: -22.913
where: short stacking energy: -22.913
Base-Backbone interact. energy: -0.532
local terms energy: -37.172938
where:
bonds (distance) C4'-P energy: -8.260
bonds (distance) P-C4' energy: -9.739
flat angles C4'-P-C4' energy: -7.730
flat angles P-C4'-P energy: -7.270
tors. eta vs tors. theta energy: -4.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -126.229429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.229429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.229429 (E_RNA)
where:
Base-Base interactions energy: -88.809
where: short stacking energy: -41.598
Base-Backbone interact. energy: -1.246
local terms energy: -36.174249
where:
bonds (distance) C4'-P energy: -9.851
bonds (distance) P-C4' energy: -7.361
flat angles C4'-P-C4' energy: -9.224
flat angles P-C4'-P energy: -2.768
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: 9, replica: 7
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -63.430442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.430442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.430442 (E_RNA)
where:
Base-Base interactions energy: -38.628
where: short stacking energy: -25.401
Base-Backbone interact. energy: 0.847
local terms energy: -25.649178
where:
bonds (distance) C4'-P energy: -4.070
bonds (distance) P-C4' energy: -8.169
flat angles C4'-P-C4' energy: -7.873
flat angles P-C4'-P energy: -6.539
tors. eta vs tors. theta energy: 1.001
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: 10, replica: 6
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -54.738723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.738723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.738723 (E_RNA)
where:
Base-Base interactions energy: -23.792
where: short stacking energy: -23.399
Base-Backbone interact. energy: -0.098
local terms energy: -30.848488
where:
bonds (distance) C4'-P energy: -4.820
bonds (distance) P-C4' energy: -10.606
flat angles C4'-P-C4' energy: -9.507
flat angles P-C4'-P energy: -1.604
tors. eta vs tors. theta energy: -4.312
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: 1, replica: 4
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -143.135725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.135725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.135725 (E_RNA)
where:
Base-Base interactions energy: -97.085
where: short stacking energy: -47.738
Base-Backbone interact. energy: -0.269
local terms energy: -45.782321
where:
bonds (distance) C4'-P energy: -9.892
bonds (distance) P-C4' energy: -11.138
flat angles C4'-P-C4' energy: -8.478
flat angles P-C4'-P energy: -6.300
tors. eta vs tors. theta energy: -9.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -139.903829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.903829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.903829 (E_RNA)
where:
Base-Base interactions energy: -95.632
where: short stacking energy: -46.054
Base-Backbone interact. energy: -0.364
local terms energy: -43.908505
where:
bonds (distance) C4'-P energy: -8.986
bonds (distance) P-C4' energy: -10.674
flat angles C4'-P-C4' energy: -7.905
flat angles P-C4'-P energy: -5.571
tors. eta vs tors. theta energy: -10.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -140.647469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.647469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.647469 (E_RNA)
where:
Base-Base interactions energy: -95.748
where: short stacking energy: -45.276
Base-Backbone interact. energy: -0.791
local terms energy: -44.108012
where:
bonds (distance) C4'-P energy: -9.743
bonds (distance) P-C4' energy: -10.190
flat angles C4'-P-C4' energy: -9.060
flat angles P-C4'-P energy: -6.441
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: 3
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -136.865359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.865359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.865359 (E_RNA)
where:
Base-Base interactions energy: -97.617
where: short stacking energy: -39.977
Base-Backbone interact. energy: -0.912
local terms energy: -38.336034
where:
bonds (distance) C4'-P energy: -6.642
bonds (distance) P-C4' energy: -10.386
flat angles C4'-P-C4' energy: -5.773
flat angles P-C4'-P energy: -6.197
tors. eta vs tors. theta energy: -9.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -130.264699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.264699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.264699 (E_RNA)
where:
Base-Base interactions energy: -93.683
where: short stacking energy: -44.246
Base-Backbone interact. energy: -0.444
local terms energy: -36.137852
where:
bonds (distance) C4'-P energy: -6.401
bonds (distance) P-C4' energy: -8.221
flat angles C4'-P-C4' energy: -8.432
flat angles P-C4'-P energy: -4.555
tors. eta vs tors. theta energy: -8.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -131.682591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.682591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.682591 (E_RNA)
where:
Base-Base interactions energy: -87.528
where: short stacking energy: -32.630
Base-Backbone interact. energy: -0.101
local terms energy: -44.054072
where:
bonds (distance) C4'-P energy: -10.446
bonds (distance) P-C4' energy: -8.021
flat angles C4'-P-C4' energy: -9.710
flat angles P-C4'-P energy: -5.763
tors. eta vs tors. theta energy: -10.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -82.833695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.833695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.833695 (E_RNA)
where:
Base-Base interactions energy: -46.579
where: short stacking energy: -26.578
Base-Backbone interact. energy: -0.649
local terms energy: -35.605979
where:
bonds (distance) C4'-P energy: -9.192
bonds (distance) P-C4' energy: -7.579
flat angles C4'-P-C4' energy: -9.966
flat angles P-C4'-P energy: -4.946
tors. eta vs tors. theta energy: -3.923
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: 5
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -121.542646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.542646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.542646 (E_RNA)
where:
Base-Base interactions energy: -83.816
where: short stacking energy: -36.479
Base-Backbone interact. energy: -1.212
local terms energy: -36.513961
where:
bonds (distance) C4'-P energy: -9.395
bonds (distance) P-C4' energy: -6.995
flat angles C4'-P-C4' energy: -6.898
flat angles P-C4'-P energy: -5.862
tors. eta vs tors. theta energy: -7.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -61.907736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.907736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.907736 (E_RNA)
where:
Base-Base interactions energy: -29.926
where: short stacking energy: -19.678
Base-Backbone interact. energy: -0.288
local terms energy: -31.693895
where:
bonds (distance) C4'-P energy: -9.929
bonds (distance) P-C4' energy: -8.683
flat angles C4'-P-C4' energy: -4.695
flat angles P-C4'-P energy: -7.752
tors. eta vs tors. theta energy: -0.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -51.611596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.611596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.611596 (E_RNA)
where:
Base-Base interactions energy: -28.664
where: short stacking energy: -18.663
Base-Backbone interact. energy: -0.126
local terms energy: -22.821364
where:
bonds (distance) C4'-P energy: -6.129
bonds (distance) P-C4' energy: -5.735
flat angles C4'-P-C4' energy: -7.690
flat angles P-C4'-P energy: -4.640
tors. eta vs tors. theta energy: 1.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -141.787633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.787633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.787633 (E_RNA)
where:
Base-Base interactions energy: -98.497
where: short stacking energy: -45.966
Base-Backbone interact. energy: -1.145
local terms energy: -42.144968
where:
bonds (distance) C4'-P energy: -8.311
bonds (distance) P-C4' energy: -10.296
flat angles C4'-P-C4' energy: -8.405
flat angles P-C4'-P energy: -5.195
tors. eta vs tors. theta energy: -9.938
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: 4
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -140.775470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.775470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.775470 (E_RNA)
where:
Base-Base interactions energy: -96.023
where: short stacking energy: -46.924
Base-Backbone interact. energy: -0.035
local terms energy: -44.717646
where:
bonds (distance) C4'-P energy: -8.410
bonds (distance) P-C4' energy: -11.110
flat angles C4'-P-C4' energy: -9.529
flat angles P-C4'-P energy: -6.038
tors. eta vs tors. theta energy: -9.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -137.132191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.132191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.132191 (E_RNA)
where:
Base-Base interactions energy: -92.358
where: short stacking energy: -42.166
Base-Backbone interact. energy: -1.996
local terms energy: -42.778751
where:
bonds (distance) C4'-P energy: -9.014
bonds (distance) P-C4' energy: -8.876
flat angles C4'-P-C4' energy: -7.967
flat angles P-C4'-P energy: -6.933
tors. eta vs tors. theta energy: -9.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -139.126989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.126989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.126989 (E_RNA)
where:
Base-Base interactions energy: -91.996
where: short stacking energy: -41.032
Base-Backbone interact. energy: -1.598
local terms energy: -45.533017
where:
bonds (distance) C4'-P energy: -9.725
bonds (distance) P-C4' energy: -9.809
flat angles C4'-P-C4' energy: -8.506
flat angles P-C4'-P energy: -6.612
tors. eta vs tors. theta energy: -10.881
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: 8
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -135.589303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.589303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.589303 (E_RNA)
where:
Base-Base interactions energy: -92.890
where: short stacking energy: -41.822
Base-Backbone interact. energy: -0.009
local terms energy: -42.689402
where:
bonds (distance) C4'-P energy: -8.632
bonds (distance) P-C4' energy: -8.457
flat angles C4'-P-C4' energy: -8.957
flat angles P-C4'-P energy: -8.739
tors. eta vs tors. theta energy: -7.904
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: 9
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -137.469328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.469328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.469328 (E_RNA)
where:
Base-Base interactions energy: -93.002
where: short stacking energy: -43.967
Base-Backbone interact. energy: -1.175
local terms energy: -43.292509
where:
bonds (distance) C4'-P energy: -10.153
bonds (distance) P-C4' energy: -7.948
flat angles C4'-P-C4' energy: -10.191
flat angles P-C4'-P energy: -6.690
tors. eta vs tors. theta energy: -8.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -129.568662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.568662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.568662 (E_RNA)
where:
Base-Base interactions energy: -91.496
where: short stacking energy: -36.511
Base-Backbone interact. energy: -0.007
local terms energy: -38.065641
where:
bonds (distance) C4'-P energy: -7.880
bonds (distance) P-C4' energy: -5.924
flat angles C4'-P-C4' energy: -8.347
flat angles P-C4'-P energy: -4.960
tors. eta vs tors. theta energy: -10.955
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: 8, replica: 2
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -93.067726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.067726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.067726 (E_RNA)
where:
Base-Base interactions energy: -57.891
where: short stacking energy: -34.389
Base-Backbone interact. energy: -0.081
local terms energy: -35.096273
where:
bonds (distance) C4'-P energy: -10.446
bonds (distance) P-C4' energy: -8.870
flat angles C4'-P-C4' energy: -8.443
flat angles P-C4'-P energy: -1.882
tors. eta vs tors. theta energy: -5.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -53.980787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.980787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.980787 (E_RNA)
where:
Base-Base interactions energy: -21.709
where: short stacking energy: -21.709
Base-Backbone interact. energy: -0.021
local terms energy: -32.250738
where:
bonds (distance) C4'-P energy: -4.463
bonds (distance) P-C4' energy: -8.055
flat angles C4'-P-C4' energy: -11.026
flat angles P-C4'-P energy: -6.758
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: 10, replica: 6
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -119.118964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.118964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.118964 (E_RNA)
where:
Base-Base interactions energy: -81.657
where: short stacking energy: -39.258
Base-Backbone interact. energy: -0.019
local terms energy: -37.442832
where:
bonds (distance) C4'-P energy: -5.350
bonds (distance) P-C4' energy: -7.337
flat angles C4'-P-C4' energy: -8.622
flat angles P-C4'-P energy: -5.246
tors. eta vs tors. theta energy: -10.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -141.052373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.052373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.052373 (E_RNA)
where:
Base-Base interactions energy: -96.022
where: short stacking energy: -43.332
Base-Backbone interact. energy: -1.389
local terms energy: -43.641282
where:
bonds (distance) C4'-P energy: -6.261
bonds (distance) P-C4' energy: -9.739
flat angles C4'-P-C4' energy: -8.990
flat angles P-C4'-P energy: -7.639
tors. eta vs tors. theta energy: -11.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -139.399685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.399685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.399685 (E_RNA)
where:
Base-Base interactions energy: -96.653
where: short stacking energy: -45.170
Base-Backbone interact. energy: -0.003
local terms energy: -42.743786
where:
bonds (distance) C4'-P energy: -9.270
bonds (distance) P-C4' energy: -6.966
flat angles C4'-P-C4' energy: -10.940
flat angles P-C4'-P energy: -6.042
tors. eta vs tors. theta energy: -9.526
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: 4
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -138.176077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.176077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.176077 (E_RNA)
where:
Base-Base interactions energy: -92.991
where: short stacking energy: -43.863
Base-Backbone interact. energy: -1.127
local terms energy: -44.057908
where:
bonds (distance) C4'-P energy: -8.045
bonds (distance) P-C4' energy: -9.898
flat angles C4'-P-C4' energy: -8.763
flat angles P-C4'-P energy: -8.380
tors. eta vs tors. theta energy: -8.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -135.546921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.546921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.546921 (E_RNA)
where:
Base-Base interactions energy: -104.108
where: short stacking energy: -43.273
Base-Backbone interact. energy: -0.069
local terms energy: -31.369829
where:
bonds (distance) C4'-P energy: -9.076
bonds (distance) P-C4' energy: -6.862
flat angles C4'-P-C4' energy: -7.340
flat angles P-C4'-P energy: 0.554
tors. eta vs tors. theta energy: -8.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -135.176218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.176218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.176218 (E_RNA)
where:
Base-Base interactions energy: -94.484
where: short stacking energy: -43.970
Base-Backbone interact. energy: -0.035
local terms energy: -40.657306
where:
bonds (distance) C4'-P energy: -6.850
bonds (distance) P-C4' energy: -9.932
flat angles C4'-P-C4' energy: -8.300
flat angles P-C4'-P energy: -6.628
tors. eta vs tors. theta energy: -8.946
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: 6, replica: 5
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -129.301900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.301900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.301900 (E_RNA)
where:
Base-Base interactions energy: -90.046
where: short stacking energy: -41.533
Base-Backbone interact. energy: -0.049
local terms energy: -39.206496
where:
bonds (distance) C4'-P energy: -8.935
bonds (distance) P-C4' energy: -6.438
flat angles C4'-P-C4' energy: -8.570
flat angles P-C4'-P energy: -6.010
tors. eta vs tors. theta energy: -9.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -126.154733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.154733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.154733 (E_RNA)
where:
Base-Base interactions energy: -90.691
where: short stacking energy: -38.127
Base-Backbone interact. energy: -1.265
local terms energy: -34.198346
where:
bonds (distance) C4'-P energy: -6.103
bonds (distance) P-C4' energy: -9.252
flat angles C4'-P-C4' energy: -7.388
flat angles P-C4'-P energy: -3.948
tors. eta vs tors. theta energy: -7.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -67.550896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.550896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.550896 (E_RNA)
where:
Base-Base interactions energy: -35.329
where: short stacking energy: -13.691
Base-Backbone interact. energy: 0.447
local terms energy: -32.669040
where:
bonds (distance) C4'-P energy: -10.231
bonds (distance) P-C4' energy: -8.429
flat angles C4'-P-C4' energy: -9.457
flat angles P-C4'-P energy: -3.905
tors. eta vs tors. theta energy: -0.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -54.702966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.702966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.702966 (E_RNA)
where:
Base-Base interactions energy: -21.770
where: short stacking energy: -21.770
Base-Backbone interact. energy: -0.077
local terms energy: -32.855695
where:
bonds (distance) C4'-P energy: -6.969
bonds (distance) P-C4' energy: -10.230
flat angles C4'-P-C4' energy: -7.700
flat angles P-C4'-P energy: -3.802
tors. eta vs tors. theta energy: -4.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -99.687317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.687317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.687317 (E_RNA)
where:
Base-Base interactions energy: -69.349
where: short stacking energy: -34.213
Base-Backbone interact. energy: -0.046
local terms energy: -30.292045
where:
bonds (distance) C4'-P energy: -8.293
bonds (distance) P-C4' energy: -5.397
flat angles C4'-P-C4' energy: -6.714
flat angles P-C4'-P energy: -6.048
tors. eta vs tors. theta energy: -3.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -141.964932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.964932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.964932 (E_RNA)
where:
Base-Base interactions energy: -96.701
where: short stacking energy: -45.963
Base-Backbone interact. energy: -0.000
local terms energy: -45.263626
where:
bonds (distance) C4'-P energy: -10.392
bonds (distance) P-C4' energy: -10.091
flat angles C4'-P-C4' energy: -7.410
flat angles P-C4'-P energy: -5.475
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: 2, replica: 10
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -137.558744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.558744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.558744 (E_RNA)
where:
Base-Base interactions energy: -92.789
where: short stacking energy: -39.943
Base-Backbone interact. energy: -1.365
local terms energy: -43.404127
where:
bonds (distance) C4'-P energy: -10.347
bonds (distance) P-C4' energy: -7.735
flat angles C4'-P-C4' energy: -10.182
flat angles P-C4'-P energy: -5.858
tors. eta vs tors. theta energy: -9.282
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: 8
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -134.475301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.475301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.475301 (E_RNA)
where:
Base-Base interactions energy: -92.404
where: short stacking energy: -42.342
Base-Backbone interact. energy: -0.283
local terms energy: -41.788604
where:
bonds (distance) C4'-P energy: -9.175
bonds (distance) P-C4' energy: -9.347
flat angles C4'-P-C4' energy: -6.479
flat angles P-C4'-P energy: -6.080
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: 4, replica: 4
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -131.327454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.327454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.327454 (E_RNA)
where:
Base-Base interactions energy: -86.412
where: short stacking energy: -40.612
Base-Backbone interact. energy: -2.004
local terms energy: -42.911245
where:
bonds (distance) C4'-P energy: -9.361
bonds (distance) P-C4' energy: -11.336
flat angles C4'-P-C4' energy: -7.442
flat angles P-C4'-P energy: -4.962
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: 5
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -130.500166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.500166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.500166 (E_RNA)
where:
Base-Base interactions energy: -90.641
where: short stacking energy: -38.280
Base-Backbone interact. energy: -0.016
local terms energy: -39.843538
where:
bonds (distance) C4'-P energy: -10.223
bonds (distance) P-C4' energy: -9.757
flat angles C4'-P-C4' energy: -8.520
flat angles P-C4'-P energy: -3.000
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: 6, replica: 1
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -135.671782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.671782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.671782 (E_RNA)
where:
Base-Base interactions energy: -93.858
where: short stacking energy: -45.300
Base-Backbone interact. energy: -0.259
local terms energy: -41.555483
where:
bonds (distance) C4'-P energy: -7.914
bonds (distance) P-C4' energy: -8.901
flat angles C4'-P-C4' energy: -7.743
flat angles P-C4'-P energy: -6.646
tors. eta vs tors. theta energy: -10.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -125.073740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.073740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.073740 (E_RNA)
where:
Base-Base interactions energy: -87.508
where: short stacking energy: -36.360
Base-Backbone interact. energy: 1.550
local terms energy: -39.115566
where:
bonds (distance) C4'-P energy: -10.285
bonds (distance) P-C4' energy: -10.186
flat angles C4'-P-C4' energy: -6.227
flat angles P-C4'-P energy: -4.375
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: 8, replica: 2
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -76.888744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.888744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.888744 (E_RNA)
where:
Base-Base interactions energy: -35.037
where: short stacking energy: -26.139
Base-Backbone interact. energy: -0.189
local terms energy: -41.662592
where:
bonds (distance) C4'-P energy: -9.474
bonds (distance) P-C4' energy: -10.162
flat angles C4'-P-C4' energy: -8.556
flat angles P-C4'-P energy: -8.203
tors. eta vs tors. theta energy: -5.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -59.721304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.721304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.721304 (E_RNA)
where:
Base-Base interactions energy: -28.570
where: short stacking energy: -7.339
Base-Backbone interact. energy: -0.246
local terms energy: -30.904763
where:
bonds (distance) C4'-P energy: -8.952
bonds (distance) P-C4' energy: -7.097
flat angles C4'-P-C4' energy: -6.454
flat angles P-C4'-P energy: -8.034
tors. eta vs tors. theta energy: -0.368
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: 10, replica: 7
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -58.927630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.927630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.927630 (E_RNA)
where:
Base-Base interactions energy: -34.227
where: short stacking energy: -29.991
Base-Backbone interact. energy: -0.001
local terms energy: -24.699402
where:
bonds (distance) C4'-P energy: -7.308
bonds (distance) P-C4' energy: -7.942
flat angles C4'-P-C4' energy: -5.091
flat angles P-C4'-P energy: -3.426
tors. eta vs tors. theta energy: -0.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -145.374027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.374027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.374027 (E_RNA)
where:
Base-Base interactions energy: -97.437
where: short stacking energy: -41.163
Base-Backbone interact. energy: -1.027
local terms energy: -46.910217
where:
bonds (distance) C4'-P energy: -8.976
bonds (distance) P-C4' energy: -8.844
flat angles C4'-P-C4' energy: -9.553
flat angles P-C4'-P energy: -8.246
tors. eta vs tors. theta energy: -11.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -138.831126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.831126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.831126 (E_RNA)
where:
Base-Base interactions energy: -91.043
where: short stacking energy: -44.069
Base-Backbone interact. energy: -1.116
local terms energy: -46.671848
where:
bonds (distance) C4'-P energy: -9.022
bonds (distance) P-C4' energy: -10.656
flat angles C4'-P-C4' energy: -8.175
flat angles P-C4'-P energy: -8.256
tors. eta vs tors. theta energy: -10.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -134.803512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.803512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.803512 (E_RNA)
where:
Base-Base interactions energy: -89.723
where: short stacking energy: -40.151
Base-Backbone interact. energy: -0.022
local terms energy: -45.058775
where:
bonds (distance) C4'-P energy: -6.431
bonds (distance) P-C4' energy: -10.651
flat angles C4'-P-C4' energy: -10.259
flat angles P-C4'-P energy: -8.473
tors. eta vs tors. theta energy: -9.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -141.464460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.464460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.464460 (E_RNA)
where:
Base-Base interactions energy: -98.111
where: short stacking energy: -46.237
Base-Backbone interact. energy: -0.462
local terms energy: -42.891010
where:
bonds (distance) C4'-P energy: -7.726
bonds (distance) P-C4' energy: -6.292
flat angles C4'-P-C4' energy: -10.412
flat angles P-C4'-P energy: -7.569
tors. eta vs tors. theta energy: -10.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -131.355642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.355642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.355642 (E_RNA)
where:
Base-Base interactions energy: -89.433
where: short stacking energy: -40.406
Base-Backbone interact. energy: -0.018
local terms energy: -41.904449
where:
bonds (distance) C4'-P energy: -7.097
bonds (distance) P-C4' energy: -7.445
flat angles C4'-P-C4' energy: -11.321
flat angles P-C4'-P energy: -5.014
tors. eta vs tors. theta energy: -11.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -128.898487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.898487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.898487 (E_RNA)
where:
Base-Base interactions energy: -89.132
where: short stacking energy: -39.118
Base-Backbone interact. energy: -1.350
local terms energy: -38.416970
where:
bonds (distance) C4'-P energy: -3.694
bonds (distance) P-C4' energy: -9.613
flat angles C4'-P-C4' energy: -8.334
flat angles P-C4'-P energy: -8.936
tors. eta vs tors. theta energy: -7.840
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: 1
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -124.833521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.833521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.833521 (E_RNA)
where:
Base-Base interactions energy: -88.365
where: short stacking energy: -37.282
Base-Backbone interact. energy: -0.002
local terms energy: -36.466610
where:
bonds (distance) C4'-P energy: -7.903
bonds (distance) P-C4' energy: -7.839
flat angles C4'-P-C4' energy: -9.030
flat angles P-C4'-P energy: -5.136
tors. eta vs tors. theta energy: -6.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -57.681390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.681390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.681390 (E_RNA)
where:
Base-Base interactions energy: -23.716
where: short stacking energy: -15.498
Base-Backbone interact. energy: -0.101
local terms energy: -33.864908
where:
bonds (distance) C4'-P energy: -7.168
bonds (distance) P-C4' energy: -11.329
flat angles C4'-P-C4' energy: -9.137
flat angles P-C4'-P energy: -7.513
tors. eta vs tors. theta energy: 1.282
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: 251
Temperature: 1.300000
Total energy: -67.977235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.977235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.977235 (E_RNA)
where:
Base-Base interactions energy: -30.295
where: short stacking energy: -29.984
Base-Backbone interact. energy: -0.128
local terms energy: -37.554054
where:
bonds (distance) C4'-P energy: -8.890
bonds (distance) P-C4' energy: -6.659
flat angles C4'-P-C4' energy: -9.666
flat angles P-C4'-P energy: -7.951
tors. eta vs tors. theta energy: -4.388
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: 7
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -56.206644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.206644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.206644 (E_RNA)
where:
Base-Base interactions energy: -28.148
where: short stacking energy: -22.580
Base-Backbone interact. energy: -0.008
local terms energy: -28.051184
where:
bonds (distance) C4'-P energy: -4.249
bonds (distance) P-C4' energy: -11.128
flat angles C4'-P-C4' energy: -7.432
flat angles P-C4'-P energy: -2.383
tors. eta vs tors. theta energy: -2.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -142.012580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.012580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.012580 (E_RNA)
where:
Base-Base interactions energy: -96.758
where: short stacking energy: -46.995
Base-Backbone interact. energy: -1.569
local terms energy: -43.684999
where:
bonds (distance) C4'-P energy: -9.663
bonds (distance) P-C4' energy: -9.500
flat angles C4'-P-C4' energy: -8.927
flat angles P-C4'-P energy: -6.753
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: 2, replica: 8
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -141.028671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.028671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.028671 (E_RNA)
where:
Base-Base interactions energy: -94.904
where: short stacking energy: -46.784
Base-Backbone interact. energy: 0.209
local terms energy: -46.333821
where:
bonds (distance) C4'-P energy: -9.404
bonds (distance) P-C4' energy: -9.753
flat angles C4'-P-C4' energy: -9.605
flat angles P-C4'-P energy: -5.290
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: 3, replica: 10
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -136.411665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.411665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.411665 (E_RNA)
where:
Base-Base interactions energy: -87.939
where: short stacking energy: -40.284
Base-Backbone interact. energy: -0.990
local terms energy: -47.482977
where:
bonds (distance) C4'-P energy: -9.278
bonds (distance) P-C4' energy: -9.395
flat angles C4'-P-C4' energy: -10.495
flat angles P-C4'-P energy: -7.796
tors. eta vs tors. theta energy: -10.519
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: 4, replica: 5
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -134.136045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.136045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.136045 (E_RNA)
where:
Base-Base interactions energy: -93.039
where: short stacking energy: -41.404
Base-Backbone interact. energy: -0.477
local terms energy: -40.620094
where:
bonds (distance) C4'-P energy: -6.058
bonds (distance) P-C4' energy: -9.901
flat angles C4'-P-C4' energy: -9.312
flat angles P-C4'-P energy: -3.969
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: 5, replica: 4
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -134.967855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.967855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.967855 (E_RNA)
where:
Base-Base interactions energy: -97.899
where: short stacking energy: -45.414
Base-Backbone interact. energy: -0.866
local terms energy: -36.203532
where:
bonds (distance) C4'-P energy: -5.980
bonds (distance) P-C4' energy: -8.733
flat angles C4'-P-C4' energy: -7.765
flat angles P-C4'-P energy: -6.067
tors. eta vs tors. theta energy: -7.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -135.950674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.950674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.950674 (E_RNA)
where:
Base-Base interactions energy: -96.770
where: short stacking energy: -45.419
Base-Backbone interact. energy: -1.005
local terms energy: -38.175239
where:
bonds (distance) C4'-P energy: -4.522
bonds (distance) P-C4' energy: -8.583
flat angles C4'-P-C4' energy: -7.946
flat angles P-C4'-P energy: -6.467
tors. eta vs tors. theta energy: -10.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -124.811114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.811114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.811114 (E_RNA)
where:
Base-Base interactions energy: -87.167
where: short stacking energy: -38.857
Base-Backbone interact. energy: -0.821
local terms energy: -36.823417
where:
bonds (distance) C4'-P energy: -7.669
bonds (distance) P-C4' energy: -7.848
flat angles C4'-P-C4' energy: -5.528
flat angles P-C4'-P energy: -8.680
tors. eta vs tors. theta energy: -7.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -69.987885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.987885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.987885 (E_RNA)
where:
Base-Base interactions energy: -37.053
where: short stacking energy: -24.118
Base-Backbone interact. energy: -0.008
local terms energy: -32.926782
where:
bonds (distance) C4'-P energy: -7.337
bonds (distance) P-C4' energy: -7.220
flat angles C4'-P-C4' energy: -6.892
flat angles P-C4'-P energy: -6.198
tors. eta vs tors. theta energy: -5.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -59.744953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.744953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.744953 (E_RNA)
where:
Base-Base interactions energy: -23.983
where: short stacking energy: -23.983
Base-Backbone interact. energy: -0.227
local terms energy: -35.535008
where:
bonds (distance) C4'-P energy: -7.805
bonds (distance) P-C4' energy: -9.591
flat angles C4'-P-C4' energy: -9.065
flat angles P-C4'-P energy: -7.332
tors. eta vs tors. theta energy: -1.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -57.444593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.444593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.444593 (E_RNA)
where:
Base-Base interactions energy: -23.927
where: short stacking energy: -23.927
Base-Backbone interact. energy: -0.014
local terms energy: -33.503215
where:
bonds (distance) C4'-P energy: -8.980
bonds (distance) P-C4' energy: -8.068
flat angles C4'-P-C4' energy: -6.807
flat angles P-C4'-P energy: -6.533
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: 3
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -144.613155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.613155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.613155 (E_RNA)
where:
Base-Base interactions energy: -98.184
where: short stacking energy: -47.629
Base-Backbone interact. energy: -1.249
local terms energy: -45.179465
where:
bonds (distance) C4'-P energy: -10.301
bonds (distance) P-C4' energy: -8.861
flat angles C4'-P-C4' energy: -8.634
flat angles P-C4'-P energy: -6.765
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: 2, replica: 10
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -139.285255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.285255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.285255 (E_RNA)
where:
Base-Base interactions energy: -92.468
where: short stacking energy: -43.035
Base-Backbone interact. energy: -0.131
local terms energy: -46.686245
where:
bonds (distance) C4'-P energy: -8.116
bonds (distance) P-C4' energy: -10.687
flat angles C4'-P-C4' energy: -9.857
flat angles P-C4'-P energy: -8.323
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: 3, replica: 8
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -133.057321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.057321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.057321 (E_RNA)
where:
Base-Base interactions energy: -94.558
where: short stacking energy: -45.255
Base-Backbone interact. energy: 0.180
local terms energy: -38.679210
where:
bonds (distance) C4'-P energy: -6.754
bonds (distance) P-C4' energy: -9.503
flat angles C4'-P-C4' energy: -9.477
flat angles P-C4'-P energy: -3.120
tors. eta vs tors. theta energy: -9.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -140.631220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.631220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.631220 (E_RNA)
where:
Base-Base interactions energy: -94.108
where: short stacking energy: -44.225
Base-Backbone interact. energy: -0.755
local terms energy: -45.768481
where:
bonds (distance) C4'-P energy: -7.763
bonds (distance) P-C4' energy: -10.870
flat angles C4'-P-C4' energy: -9.776
flat angles P-C4'-P energy: -5.793
tors. eta vs tors. theta energy: -11.567
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: 5
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -135.201104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.201104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.201104 (E_RNA)
where:
Base-Base interactions energy: -91.625
where: short stacking energy: -45.327
Base-Backbone interact. energy: -0.022
local terms energy: -43.554455
where:
bonds (distance) C4'-P energy: -9.387
bonds (distance) P-C4' energy: -9.045
flat angles C4'-P-C4' energy: -10.517
flat angles P-C4'-P energy: -5.322
tors. eta vs tors. theta energy: -9.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -133.260049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.260049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.260049 (E_RNA)
where:
Base-Base interactions energy: -87.299
where: short stacking energy: -41.053
Base-Backbone interact. energy: 0.581
local terms energy: -46.542241
where:
bonds (distance) C4'-P energy: -9.502
bonds (distance) P-C4' energy: -9.862
flat angles C4'-P-C4' energy: -8.200
flat angles P-C4'-P energy: -7.950
tors. eta vs tors. theta energy: -11.029
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: 9
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -129.262980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.262980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.262980 (E_RNA)
where:
Base-Base interactions energy: -89.556
where: short stacking energy: -44.667
Base-Backbone interact. energy: -0.023
local terms energy: -39.683978
where:
bonds (distance) C4'-P energy: -9.485
bonds (distance) P-C4' energy: -6.432
flat angles C4'-P-C4' energy: -9.395
flat angles P-C4'-P energy: -6.647
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: 8, replica: 7
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -69.088605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.088605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.088605 (E_RNA)
where:
Base-Base interactions energy: -31.375
where: short stacking energy: -31.375
Base-Backbone interact. energy: -0.009
local terms energy: -37.704118
where:
bonds (distance) C4'-P energy: -6.865
bonds (distance) P-C4' energy: -6.438
flat angles C4'-P-C4' energy: -9.222
flat angles P-C4'-P energy: -7.048
tors. eta vs tors. theta energy: -8.130
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: 253
Temperature: 1.300000
Total energy: -60.721722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.721722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.721722 (E_RNA)
where:
Base-Base interactions energy: -28.376
where: short stacking energy: -28.376
Base-Backbone interact. energy: -0.015
local terms energy: -32.330255
where:
bonds (distance) C4'-P energy: -5.300
bonds (distance) P-C4' energy: -8.883
flat angles C4'-P-C4' energy: -6.146
flat angles P-C4'-P energy: -6.714
tors. eta vs tors. theta energy: -5.288
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: 6
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -71.561461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.561461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.561461 (E_RNA)
where:
Base-Base interactions energy: -43.982
where: short stacking energy: -31.842
Base-Backbone interact. energy: 0.422
local terms energy: -28.002060
where:
bonds (distance) C4'-P energy: -5.537
bonds (distance) P-C4' energy: -4.805
flat angles C4'-P-C4' energy: -5.561
flat angles P-C4'-P energy: -4.411
tors. eta vs tors. theta energy: -7.689
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: 254
Temperature: 0.900000
Total energy: -141.198090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.198090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.198090 (E_RNA)
where:
Base-Base interactions energy: -95.679
where: short stacking energy: -43.884
Base-Backbone interact. energy: -0.038
local terms energy: -45.481934
where:
bonds (distance) C4'-P energy: -8.392
bonds (distance) P-C4' energy: -9.960
flat angles C4'-P-C4' energy: -10.734
flat angles P-C4'-P energy: -7.148
tors. eta vs tors. theta energy: -9.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -139.114071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.114071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.114071 (E_RNA)
where:
Base-Base interactions energy: -96.810
where: short stacking energy: -46.297
Base-Backbone interact. energy: -1.550
local terms energy: -40.754161
where:
bonds (distance) C4'-P energy: -10.446
bonds (distance) P-C4' energy: -6.769
flat angles C4'-P-C4' energy: -7.602
flat angles P-C4'-P energy: -7.336
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: 3, replica: 8
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -144.504159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.504159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.504159 (E_RNA)
where:
Base-Base interactions energy: -97.556
where: short stacking energy: -46.424
Base-Backbone interact. energy: -0.199
local terms energy: -46.748868
where:
bonds (distance) C4'-P energy: -9.263
bonds (distance) P-C4' energy: -8.740
flat angles C4'-P-C4' energy: -9.797
flat angles P-C4'-P energy: -8.582
tors. eta vs tors. theta energy: -10.367
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: 4
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -134.005083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.005083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.005083 (E_RNA)
where:
Base-Base interactions energy: -90.106
where: short stacking energy: -39.473
Base-Backbone interact. energy: -0.774
local terms energy: -43.124440
where:
bonds (distance) C4'-P energy: -7.433
bonds (distance) P-C4' energy: -10.873
flat angles C4'-P-C4' energy: -8.268
flat angles P-C4'-P energy: -8.001
tors. eta vs tors. theta energy: -8.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -129.039816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.039816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.039816 (E_RNA)
where:
Base-Base interactions energy: -89.372
where: short stacking energy: -31.193
Base-Backbone interact. energy: -0.004
local terms energy: -39.663748
where:
bonds (distance) C4'-P energy: -5.411
bonds (distance) P-C4' energy: -10.905
flat angles C4'-P-C4' energy: -9.213
flat angles P-C4'-P energy: -4.681
tors. eta vs tors. theta energy: -9.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -124.083198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.083198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.083198 (E_RNA)
where:
Base-Base interactions energy: -85.182
where: short stacking energy: -35.504
Base-Backbone interact. energy: -0.849
local terms energy: -38.052327
where:
bonds (distance) C4'-P energy: -10.268
bonds (distance) P-C4' energy: -5.879
flat angles C4'-P-C4' energy: -10.289
flat angles P-C4'-P energy: -5.461
tors. eta vs tors. theta energy: -6.156
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: 9
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -132.596818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.596818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.596818 (E_RNA)
where:
Base-Base interactions energy: -87.823
where: short stacking energy: -38.785
Base-Backbone interact. energy: -0.759
local terms energy: -44.014859
where:
bonds (distance) C4'-P energy: -9.519
bonds (distance) P-C4' energy: -9.056
flat angles C4'-P-C4' energy: -8.882
flat angles P-C4'-P energy: -6.462
tors. eta vs tors. theta energy: -10.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -68.472045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.472045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.472045 (E_RNA)
where:
Base-Base interactions energy: -30.271
where: short stacking energy: -30.271
Base-Backbone interact. energy: -0.004
local terms energy: -38.197713
where:
bonds (distance) C4'-P energy: -4.807
bonds (distance) P-C4' energy: -9.503
flat angles C4'-P-C4' energy: -9.399
flat angles P-C4'-P energy: -7.731
tors. eta vs tors. theta energy: -6.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -66.445198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.445198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.445198 (E_RNA)
where:
Base-Base interactions energy: -31.681
where: short stacking energy: -31.681
Base-Backbone interact. energy: -0.005
local terms energy: -34.759025
where:
bonds (distance) C4'-P energy: -5.631
bonds (distance) P-C4' energy: -10.662
flat angles C4'-P-C4' energy: -8.385
flat angles P-C4'-P energy: -2.367
tors. eta vs tors. theta energy: -7.713
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: 2
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -62.629926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.629926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.629926 (E_RNA)
where:
Base-Base interactions energy: -31.106
where: short stacking energy: -27.202
Base-Backbone interact. energy: -0.108
local terms energy: -31.416527
where:
bonds (distance) C4'-P energy: -7.209
bonds (distance) P-C4' energy: -9.837
flat angles C4'-P-C4' energy: -8.022
flat angles P-C4'-P energy: -3.540
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: 1, replica: 10
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -137.770849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.770849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.770849 (E_RNA)
where:
Base-Base interactions energy: -97.728
where: short stacking energy: -42.491
Base-Backbone interact. energy: -0.001
local terms energy: -40.040994
where:
bonds (distance) C4'-P energy: -8.454
bonds (distance) P-C4' energy: -8.929
flat angles C4'-P-C4' energy: -8.169
flat angles P-C4'-P energy: -5.252
tors. eta vs tors. theta energy: -9.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -139.536517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.536517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.536517 (E_RNA)
where:
Base-Base interactions energy: -96.195
where: short stacking energy: -44.975
Base-Backbone interact. energy: 1.027
local terms energy: -44.369135
where:
bonds (distance) C4'-P energy: -8.906
bonds (distance) P-C4' energy: -10.165
flat angles C4'-P-C4' energy: -9.256
flat angles P-C4'-P energy: -6.781
tors. eta vs tors. theta energy: -9.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -138.705012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.705012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.705012 (E_RNA)
where:
Base-Base interactions energy: -93.729
where: short stacking energy: -44.025
Base-Backbone interact. energy: -0.998
local terms energy: -43.977274
where:
bonds (distance) C4'-P energy: -8.604
bonds (distance) P-C4' energy: -8.141
flat angles C4'-P-C4' energy: -9.275
flat angles P-C4'-P energy: -7.321
tors. eta vs tors. theta energy: -10.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -131.340402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.340402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.340402 (E_RNA)
where:
Base-Base interactions energy: -92.008
where: short stacking energy: -43.585
Base-Backbone interact. energy: 0.066
local terms energy: -39.397825
where:
bonds (distance) C4'-P energy: -7.729
bonds (distance) P-C4' energy: -7.309
flat angles C4'-P-C4' energy: -9.031
flat angles P-C4'-P energy: -7.090
tors. eta vs tors. theta energy: -8.239
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: 5, replica: 4
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -138.223056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.223056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.223056 (E_RNA)
where:
Base-Base interactions energy: -93.810
where: short stacking energy: -41.969
Base-Backbone interact. energy: -1.678
local terms energy: -42.734411
where:
bonds (distance) C4'-P energy: -8.530
bonds (distance) P-C4' energy: -10.186
flat angles C4'-P-C4' energy: -8.191
flat angles P-C4'-P energy: -6.342
tors. eta vs tors. theta energy: -9.485
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: 9
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -130.292840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.292840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.292840 (E_RNA)
where:
Base-Base interactions energy: -90.762
where: short stacking energy: -39.856
Base-Backbone interact. energy: -0.010
local terms energy: -39.520776
where:
bonds (distance) C4'-P energy: -7.589
bonds (distance) P-C4' energy: -8.555
flat angles C4'-P-C4' energy: -10.393
flat angles P-C4'-P energy: -6.739
tors. eta vs tors. theta energy: -6.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -120.271853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.271853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.271853 (E_RNA)
where:
Base-Base interactions energy: -77.380
where: short stacking energy: -35.241
Base-Backbone interact. energy: -1.794
local terms energy: -41.097291
where:
bonds (distance) C4'-P energy: -9.912
bonds (distance) P-C4' energy: -6.644
flat angles C4'-P-C4' energy: -10.250
flat angles P-C4'-P energy: -6.471
tors. eta vs tors. theta energy: -7.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -70.384414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.384414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.384414 (E_RNA)
where:
Base-Base interactions energy: -34.049
where: short stacking energy: -34.049
Base-Backbone interact. energy: -0.007
local terms energy: -36.328126
where:
bonds (distance) C4'-P energy: -6.944
bonds (distance) P-C4' energy: -10.451
flat angles C4'-P-C4' energy: -7.796
flat angles P-C4'-P energy: -3.690
tors. eta vs tors. theta energy: -7.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -57.512508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.512508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.512508 (E_RNA)
where:
Base-Base interactions energy: -26.442
where: short stacking energy: -24.184
Base-Backbone interact. energy: -0.001
local terms energy: -31.069687
where:
bonds (distance) C4'-P energy: -7.742
bonds (distance) P-C4' energy: -10.183
flat angles C4'-P-C4' energy: -7.388
flat angles P-C4'-P energy: -3.546
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: 10, replica: 2
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -66.789478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.789478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.789478 (E_RNA)
where:
Base-Base interactions energy: -35.824
where: short stacking energy: -27.891
Base-Backbone interact. energy: -0.710
local terms energy: -30.255654
where:
bonds (distance) C4'-P energy: -6.438
bonds (distance) P-C4' energy: -7.163
flat angles C4'-P-C4' energy: -8.022
flat angles P-C4'-P energy: -3.882
tors. eta vs tors. theta energy: -4.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -142.145529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.145529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.145529 (E_RNA)
where:
Base-Base interactions energy: -97.367
where: short stacking energy: -45.097
Base-Backbone interact. energy: -0.062
local terms energy: -44.716961
where:
bonds (distance) C4'-P energy: -7.527
bonds (distance) P-C4' energy: -10.687
flat angles C4'-P-C4' energy: -10.485
flat angles P-C4'-P energy: -5.281
tors. eta vs tors. theta energy: -10.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -140.275006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.275006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.275006 (E_RNA)
where:
Base-Base interactions energy: -94.503
where: short stacking energy: -43.051
Base-Backbone interact. energy: -1.801
local terms energy: -43.970793
where:
bonds (distance) C4'-P energy: -9.280
bonds (distance) P-C4' energy: -9.390
flat angles C4'-P-C4' energy: -6.465
flat angles P-C4'-P energy: -7.218
tors. eta vs tors. theta energy: -11.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -142.195479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.195479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.195479 (E_RNA)
where:
Base-Base interactions energy: -94.989
where: short stacking energy: -46.363
Base-Backbone interact. energy: -1.404
local terms energy: -45.802424
where:
bonds (distance) C4'-P energy: -8.728
bonds (distance) P-C4' energy: -10.849
flat angles C4'-P-C4' energy: -9.032
flat angles P-C4'-P energy: -7.972
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: 4, replica: 3
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -138.027923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.027923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.027923 (E_RNA)
where:
Base-Base interactions energy: -90.340
where: short stacking energy: -44.239
Base-Backbone interact. energy: -0.882
local terms energy: -46.806141
where:
bonds (distance) C4'-P energy: -7.951
bonds (distance) P-C4' energy: -9.091
flat angles C4'-P-C4' energy: -9.417
flat angles P-C4'-P energy: -8.826
tors. eta vs tors. theta energy: -11.522
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: 256
Temperature: 1.100000
Total energy: -135.522372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.522372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.522372 (E_RNA)
where:
Base-Base interactions energy: -92.088
where: short stacking energy: -39.589
Base-Backbone interact. energy: -0.494
local terms energy: -42.940213
where:
bonds (distance) C4'-P energy: -8.534
bonds (distance) P-C4' energy: -9.333
flat angles C4'-P-C4' energy: -8.529
flat angles P-C4'-P energy: -8.482
tors. eta vs tors. theta energy: -8.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -130.221669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.221669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.221669 (E_RNA)
where:
Base-Base interactions energy: -97.614
where: short stacking energy: -40.928
Base-Backbone interact. energy: -0.004
local terms energy: -32.604123
where:
bonds (distance) C4'-P energy: -4.710
bonds (distance) P-C4' energy: -7.100
flat angles C4'-P-C4' energy: -10.550
flat angles P-C4'-P energy: -0.835
tors. eta vs tors. theta energy: -9.409
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: 7, replica: 5
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -119.294008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.294008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.294008 (E_RNA)
where:
Base-Base interactions energy: -81.213
where: short stacking energy: -38.228
Base-Backbone interact. energy: -0.003
local terms energy: -38.077588
where:
bonds (distance) C4'-P energy: -7.826
bonds (distance) P-C4' energy: -8.502
flat angles C4'-P-C4' energy: -7.974
flat angles P-C4'-P energy: -6.891
tors. eta vs tors. theta energy: -6.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -67.367762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.367762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.367762 (E_RNA)
where:
Base-Base interactions energy: -34.901
where: short stacking energy: -17.355
Base-Backbone interact. energy: -0.032
local terms energy: -32.435387
where:
bonds (distance) C4'-P energy: -8.343
bonds (distance) P-C4' energy: -8.572
flat angles C4'-P-C4' energy: -8.090
flat angles P-C4'-P energy: -8.171
tors. eta vs tors. theta energy: 0.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -66.891630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.891630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.891630 (E_RNA)
where:
Base-Base interactions energy: -35.329
where: short stacking energy: -35.329
Base-Backbone interact. energy: -0.104
local terms energy: -31.458722
where:
bonds (distance) C4'-P energy: -6.812
bonds (distance) P-C4' energy: -7.390
flat angles C4'-P-C4' energy: -6.027
flat angles P-C4'-P energy: -6.772
tors. eta vs tors. theta energy: -4.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -68.788560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.788560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.788560 (E_RNA)
where:
Base-Base interactions energy: -35.661
where: short stacking energy: -32.061
Base-Backbone interact. energy: -0.022
local terms energy: -33.105777
where:
bonds (distance) C4'-P energy: -5.822
bonds (distance) P-C4' energy: -9.330
flat angles C4'-P-C4' energy: -5.841
flat angles P-C4'-P energy: -6.240
tors. eta vs tors. theta energy: -5.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -144.859765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.859765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.859765 (E_RNA)
where:
Base-Base interactions energy: -105.204
where: short stacking energy: -39.252
Base-Backbone interact. energy: -0.137
local terms energy: -39.518062
where:
bonds (distance) C4'-P energy: -7.416
bonds (distance) P-C4' energy: -8.966
flat angles C4'-P-C4' energy: -10.154
flat angles P-C4'-P energy: -3.017
tors. eta vs tors. theta energy: -9.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -137.918037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.918037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.918037 (E_RNA)
where:
Base-Base interactions energy: -92.264
where: short stacking energy: -43.114
Base-Backbone interact. energy: -0.915
local terms energy: -44.739131
where:
bonds (distance) C4'-P energy: -10.037
bonds (distance) P-C4' energy: -9.873
flat angles C4'-P-C4' energy: -8.543
flat angles P-C4'-P energy: -5.879
tors. eta vs tors. theta energy: -10.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -137.791865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.791865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.791865 (E_RNA)
where:
Base-Base interactions energy: -92.908
where: short stacking energy: -42.914
Base-Backbone interact. energy: -1.520
local terms energy: -43.364053
where:
bonds (distance) C4'-P energy: -8.294
bonds (distance) P-C4' energy: -11.364
flat angles C4'-P-C4' energy: -7.043
flat angles P-C4'-P energy: -8.402
tors. eta vs tors. theta energy: -8.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -136.121589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.121589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.121589 (E_RNA)
where:
Base-Base interactions energy: -96.449
where: short stacking energy: -46.450
Base-Backbone interact. energy: -1.910
local terms energy: -37.762095
where:
bonds (distance) C4'-P energy: -6.252
bonds (distance) P-C4' energy: -9.143
flat angles C4'-P-C4' energy: -5.115
flat angles P-C4'-P energy: -9.277
tors. eta vs tors. theta energy: -7.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -126.350541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.350541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.350541 (E_RNA)
where:
Base-Base interactions energy: -87.843
where: short stacking energy: -32.312
Base-Backbone interact. energy: -0.105
local terms energy: -38.402289
where:
bonds (distance) C4'-P energy: -8.959
bonds (distance) P-C4' energy: -8.855
flat angles C4'-P-C4' energy: -9.275
flat angles P-C4'-P energy: -6.100
tors. eta vs tors. theta energy: -5.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -125.694438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.694438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.694438 (E_RNA)
where:
Base-Base interactions energy: -82.875
where: short stacking energy: -32.457
Base-Backbone interact. energy: 0.135
local terms energy: -42.954232
where:
bonds (distance) C4'-P energy: -7.959
bonds (distance) P-C4' energy: -10.186
flat angles C4'-P-C4' energy: -10.281
flat angles P-C4'-P energy: -7.462
tors. eta vs tors. theta energy: -7.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -130.719937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.719937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.719937 (E_RNA)
where:
Base-Base interactions energy: -86.204
where: short stacking energy: -39.738
Base-Backbone interact. energy: -0.644
local terms energy: -43.871790
where:
bonds (distance) C4'-P energy: -8.029
bonds (distance) P-C4' energy: -9.561
flat angles C4'-P-C4' energy: -9.513
flat angles P-C4'-P energy: -6.526
tors. eta vs tors. theta energy: -10.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -77.852573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.852573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.852573 (E_RNA)
where:
Base-Base interactions energy: -35.559
where: short stacking energy: -30.911
Base-Backbone interact. energy: -0.056
local terms energy: -42.237502
where:
bonds (distance) C4'-P energy: -8.712
bonds (distance) P-C4' energy: -9.042
flat angles C4'-P-C4' energy: -8.732
flat angles P-C4'-P energy: -7.257
tors. eta vs tors. theta energy: -8.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -67.526263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.526263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.526263 (E_RNA)
where:
Base-Base interactions energy: -33.426
where: short stacking energy: -33.426
Base-Backbone interact. energy: -0.000
local terms energy: -34.100314
where:
bonds (distance) C4'-P energy: -9.175
bonds (distance) P-C4' energy: -6.771
flat angles C4'-P-C4' energy: -1.030
flat angles P-C4'-P energy: -6.910
tors. eta vs tors. theta energy: -10.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -55.445902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.445902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.445902 (E_RNA)
where:
Base-Base interactions energy: -28.687
where: short stacking energy: -19.358
Base-Backbone interact. energy: -0.082
local terms energy: -26.676358
where:
bonds (distance) C4'-P energy: -7.597
bonds (distance) P-C4' energy: -8.070
flat angles C4'-P-C4' energy: -2.656
flat angles P-C4'-P energy: -6.693
tors. eta vs tors. theta energy: -1.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -141.065328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.065328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.065328 (E_RNA)
where:
Base-Base interactions energy: -96.915
where: short stacking energy: -46.589
Base-Backbone interact. energy: -1.071
local terms energy: -43.079444
where:
bonds (distance) C4'-P energy: -9.407
bonds (distance) P-C4' energy: -8.861
flat angles C4'-P-C4' energy: -9.330
flat angles P-C4'-P energy: -7.574
tors. eta vs tors. theta energy: -7.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -139.828908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.828908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.828908 (E_RNA)
where:
Base-Base interactions energy: -93.664
where: short stacking energy: -46.250
Base-Backbone interact. energy: -0.052
local terms energy: -46.113267
where:
bonds (distance) C4'-P energy: -8.215
bonds (distance) P-C4' energy: -8.665
flat angles C4'-P-C4' energy: -10.200
flat angles P-C4'-P energy: -7.208
tors. eta vs tors. theta energy: -11.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -136.879405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.879405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.879405 (E_RNA)
where:
Base-Base interactions energy: -90.253
where: short stacking energy: -38.338
Base-Backbone interact. energy: -1.199
local terms energy: -45.427560
where:
bonds (distance) C4'-P energy: -8.733
bonds (distance) P-C4' energy: -10.873
flat angles C4'-P-C4' energy: -8.527
flat angles P-C4'-P energy: -7.880
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: 8
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -131.150241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.150241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.150241 (E_RNA)
where:
Base-Base interactions energy: -91.200
where: short stacking energy: -43.305
Base-Backbone interact. energy: -0.014
local terms energy: -39.936514
where:
bonds (distance) C4'-P energy: -8.270
bonds (distance) P-C4' energy: -9.059
flat angles C4'-P-C4' energy: -8.190
flat angles P-C4'-P energy: -5.836
tors. eta vs tors. theta energy: -8.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -130.995459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.995459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.995459 (E_RNA)
where:
Base-Base interactions energy: -88.719
where: short stacking energy: -39.349
Base-Backbone interact. energy: 0.021
local terms energy: -42.298303
where:
bonds (distance) C4'-P energy: -9.465
bonds (distance) P-C4' energy: -6.578
flat angles C4'-P-C4' energy: -8.184
flat angles P-C4'-P energy: -8.117
tors. eta vs tors. theta energy: -9.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -139.506917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.506917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.506917 (E_RNA)
where:
Base-Base interactions energy: -93.481
where: short stacking energy: -42.627
Base-Backbone interact. energy: -0.423
local terms energy: -45.602544
where:
bonds (distance) C4'-P energy: -8.376
bonds (distance) P-C4' energy: -11.124
flat angles C4'-P-C4' energy: -10.347
flat angles P-C4'-P energy: -6.742
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: 7, replica: 5
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -126.070329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.070329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.070329 (E_RNA)
where:
Base-Base interactions energy: -88.047
where: short stacking energy: -38.038
Base-Backbone interact. energy: -0.011
local terms energy: -38.012495
where:
bonds (distance) C4'-P energy: -7.640
bonds (distance) P-C4' energy: -9.761
flat angles C4'-P-C4' energy: -7.111
flat angles P-C4'-P energy: -5.347
tors. eta vs tors. theta energy: -8.153
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: 6
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -67.156148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.156148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.156148 (E_RNA)
where:
Base-Base interactions energy: -27.885
where: short stacking energy: -27.885
Base-Backbone interact. energy: -0.000
local terms energy: -39.271256
where:
bonds (distance) C4'-P energy: -9.333
bonds (distance) P-C4' energy: -10.454
flat angles C4'-P-C4' energy: -6.854
flat angles P-C4'-P energy: -5.062
tors. eta vs tors. theta energy: -7.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -59.723353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.723353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.723353 (E_RNA)
where:
Base-Base interactions energy: -29.155
where: short stacking energy: -16.092
Base-Backbone interact. energy: -0.155
local terms energy: -30.413067
where:
bonds (distance) C4'-P energy: -6.857
bonds (distance) P-C4' energy: -9.358
flat angles C4'-P-C4' energy: -8.665
flat angles P-C4'-P energy: -5.730
tors. eta vs tors. theta energy: 0.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -78.088209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.088209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.088209 (E_RNA)
where:
Base-Base interactions energy: -47.291
where: short stacking energy: -30.028
Base-Backbone interact. energy: -0.004
local terms energy: -30.793437
where:
bonds (distance) C4'-P energy: -6.352
bonds (distance) P-C4' energy: -6.864
flat angles C4'-P-C4' energy: -9.143
flat angles P-C4'-P energy: -6.114
tors. eta vs tors. theta energy: -2.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -142.152960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.152960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.152960 (E_RNA)
where:
Base-Base interactions energy: -92.172
where: short stacking energy: -43.294
Base-Backbone interact. energy: -0.805
local terms energy: -49.176734
where:
bonds (distance) C4'-P energy: -9.270
bonds (distance) P-C4' energy: -9.957
flat angles C4'-P-C4' energy: -10.409
flat angles P-C4'-P energy: -8.720
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: 2, replica: 9
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -140.056161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.056161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.056161 (E_RNA)
where:
Base-Base interactions energy: -95.699
where: short stacking energy: -40.502
Base-Backbone interact. energy: -0.008
local terms energy: -44.349540
where:
bonds (distance) C4'-P energy: -9.635
bonds (distance) P-C4' energy: -9.895
flat angles C4'-P-C4' energy: -9.760
flat angles P-C4'-P energy: -5.354
tors. eta vs tors. theta energy: -9.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -141.316372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.316372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.316372 (E_RNA)
where:
Base-Base interactions energy: -96.165
where: short stacking energy: -44.676
Base-Backbone interact. energy: -1.101
local terms energy: -44.050199
where:
bonds (distance) C4'-P energy: -8.625
bonds (distance) P-C4' energy: -9.281
flat angles C4'-P-C4' energy: -9.694
flat angles P-C4'-P energy: -7.749
tors. eta vs tors. theta energy: -8.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -139.128892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.128892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.128892 (E_RNA)
where:
Base-Base interactions energy: -92.607
where: short stacking energy: -41.471
Base-Backbone interact. energy: -0.784
local terms energy: -45.738727
where:
bonds (distance) C4'-P energy: -9.415
bonds (distance) P-C4' energy: -9.911
flat angles C4'-P-C4' energy: -10.504
flat angles P-C4'-P energy: -7.826
tors. eta vs tors. theta energy: -8.083
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: 259
Temperature: 1.100000
Total energy: -137.362168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.362168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.362168 (E_RNA)
where:
Base-Base interactions energy: -89.192
where: short stacking energy: -43.756
Base-Backbone interact. energy: -1.941
local terms energy: -46.229001
where:
bonds (distance) C4'-P energy: -9.118
bonds (distance) P-C4' energy: -11.128
flat angles C4'-P-C4' energy: -9.099
flat angles P-C4'-P energy: -7.358
tors. eta vs tors. theta energy: -9.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -132.420799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.420799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.420799 (E_RNA)
where:
Base-Base interactions energy: -89.328
where: short stacking energy: -42.390
Base-Backbone interact. energy: -1.186
local terms energy: -41.906731
where:
bonds (distance) C4'-P energy: -9.560
bonds (distance) P-C4' energy: -7.628
flat angles C4'-P-C4' energy: -9.616
flat angles P-C4'-P energy: -5.527
tors. eta vs tors. theta energy: -9.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -123.635929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.635929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.635929 (E_RNA)
where:
Base-Base interactions energy: -85.299
where: short stacking energy: -35.325
Base-Backbone interact. energy: -0.005
local terms energy: -38.332167
where:
bonds (distance) C4'-P energy: -10.347
bonds (distance) P-C4' energy: -6.749
flat angles C4'-P-C4' energy: -10.728
flat angles P-C4'-P energy: -4.730
tors. eta vs tors. theta energy: -5.778
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: 8, replica: 7
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -76.493579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.493579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.493579 (E_RNA)
where:
Base-Base interactions energy: -41.778
where: short stacking energy: -33.460
Base-Backbone interact. energy: -0.005
local terms energy: -34.710451
where:
bonds (distance) C4'-P energy: -8.099
bonds (distance) P-C4' energy: -6.675
flat angles C4'-P-C4' energy: -8.005
flat angles P-C4'-P energy: -6.250
tors. eta vs tors. theta energy: -5.681
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: 259
Temperature: 1.300000
Total energy: -58.781360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.781360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.781360 (E_RNA)
where:
Base-Base interactions energy: -27.053
where: short stacking energy: -27.053
Base-Backbone interact. energy: 1.574
local terms energy: -33.302425
where:
bonds (distance) C4'-P energy: -8.679
bonds (distance) P-C4' energy: -8.626
flat angles C4'-P-C4' energy: -6.401
flat angles P-C4'-P energy: -5.838
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: 2
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -52.809833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.809833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.809833 (E_RNA)
where:
Base-Base interactions energy: -25.502
where: short stacking energy: -25.502
Base-Backbone interact. energy: 0.113
local terms energy: -27.420484
where:
bonds (distance) C4'-P energy: -6.183
bonds (distance) P-C4' energy: -6.826
flat angles C4'-P-C4' energy: -8.050
flat angles P-C4'-P energy: -4.240
tors. eta vs tors. theta energy: -2.122
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: 9
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -145.519763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.519763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.519763 (E_RNA)
where:
Base-Base interactions energy: -98.808
where: short stacking energy: -47.474
Base-Backbone interact. energy: -1.334
local terms energy: -45.377636
where:
bonds (distance) C4'-P energy: -6.720
bonds (distance) P-C4' energy: -10.677
flat angles C4'-P-C4' energy: -9.542
flat angles P-C4'-P energy: -7.918
tors. eta vs tors. theta energy: -10.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -140.271031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.271031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.271031 (E_RNA)
where:
Base-Base interactions energy: -97.189
where: short stacking energy: -43.806
Base-Backbone interact. energy: -0.441
local terms energy: -42.641694
where:
bonds (distance) C4'-P energy: -6.526
bonds (distance) P-C4' energy: -9.699
flat angles C4'-P-C4' energy: -9.214
flat angles P-C4'-P energy: -8.221
tors. eta vs tors. theta energy: -8.981
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: 260
Temperature: 1.000000
Total energy: -137.570650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.570650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.570650 (E_RNA)
where:
Base-Base interactions energy: -93.536
where: short stacking energy: -43.087
Base-Backbone interact. energy: -1.265
local terms energy: -42.768883
where:
bonds (distance) C4'-P energy: -8.090
bonds (distance) P-C4' energy: -9.947
flat angles C4'-P-C4' energy: -8.952
flat angles P-C4'-P energy: -5.568
tors. eta vs tors. theta energy: -10.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -138.094930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.094930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.094930 (E_RNA)
where:
Base-Base interactions energy: -99.415
where: short stacking energy: -35.230
Base-Backbone interact. energy: -0.090
local terms energy: -38.590521
where:
bonds (distance) C4'-P energy: -8.128
bonds (distance) P-C4' energy: -9.074
flat angles C4'-P-C4' energy: -7.851
flat angles P-C4'-P energy: -3.742
tors. eta vs tors. theta energy: -9.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -137.154552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.154552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.154552 (E_RNA)
where:
Base-Base interactions energy: -92.939
where: short stacking energy: -41.410
Base-Backbone interact. energy: -0.003
local terms energy: -44.212246
where:
bonds (distance) C4'-P energy: -7.639
bonds (distance) P-C4' energy: -11.339
flat angles C4'-P-C4' energy: -9.135
flat angles P-C4'-P energy: -5.407
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: 6, replica: 8
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -131.813327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.813327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.813327 (E_RNA)
where:
Base-Base interactions energy: -89.982
where: short stacking energy: -41.331
Base-Backbone interact. energy: -0.866
local terms energy: -40.965819
where:
bonds (distance) C4'-P energy: -7.531
bonds (distance) P-C4' energy: -7.973
flat angles C4'-P-C4' energy: -7.996
flat angles P-C4'-P energy: -6.388
tors. eta vs tors. theta energy: -11.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -129.655114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.655114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.655114 (E_RNA)
where:
Base-Base interactions energy: -88.213
where: short stacking energy: -37.158
Base-Backbone interact. energy: -1.142
local terms energy: -40.299649
where:
bonds (distance) C4'-P energy: -8.269
bonds (distance) P-C4' energy: -9.950
flat angles C4'-P-C4' energy: -8.914
flat angles P-C4'-P energy: -5.312
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: 8, replica: 7
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -60.466228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.466228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.466228 (E_RNA)
where:
Base-Base interactions energy: -34.574
where: short stacking energy: -12.456
Base-Backbone interact. energy: -0.043
local terms energy: -25.849724
where:
bonds (distance) C4'-P energy: -8.430
bonds (distance) P-C4' energy: -10.677
flat angles C4'-P-C4' energy: -7.317
flat angles P-C4'-P energy: -0.263
tors. eta vs tors. theta energy: 0.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -55.646509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.646509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.646509 (E_RNA)
where:
Base-Base interactions energy: -23.947
where: short stacking energy: -23.293
Base-Backbone interact. energy: 0.161
local terms energy: -31.860886
where:
bonds (distance) C4'-P energy: -9.308
bonds (distance) P-C4' energy: -10.000
flat angles C4'-P-C4' energy: -8.788
flat angles P-C4'-P energy: 0.680
tors. eta vs tors. theta energy: -4.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -53.921791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.921791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.921791 (E_RNA)
where:
Base-Base interactions energy: -24.217
where: short stacking energy: -24.217
Base-Backbone interact. energy: -0.063
local terms energy: -29.641804
where:
bonds (distance) C4'-P energy: -4.530
bonds (distance) P-C4' energy: -8.620
flat angles C4'-P-C4' energy: -4.749
flat angles P-C4'-P energy: -5.334
tors. eta vs tors. theta energy: -6.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -145.199547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.199547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.199547 (E_RNA)
where:
Base-Base interactions energy: -97.271
where: short stacking energy: -44.545
Base-Backbone interact. energy: -0.831
local terms energy: -47.097762
where:
bonds (distance) C4'-P energy: -8.769
bonds (distance) P-C4' energy: -10.000
flat angles C4'-P-C4' energy: -9.035
flat angles P-C4'-P energy: -8.565
tors. eta vs tors. theta energy: -10.728
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: 4
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -144.033398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.033398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.033398 (E_RNA)
where:
Base-Base interactions energy: -96.664
where: short stacking energy: -45.131
Base-Backbone interact. energy: -0.526
local terms energy: -46.843401
where:
bonds (distance) C4'-P energy: -9.921
bonds (distance) P-C4' energy: -10.035
flat angles C4'-P-C4' energy: -9.185
flat angles P-C4'-P energy: -7.791
tors. eta vs tors. theta energy: -9.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -143.089267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.089267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.089267 (E_RNA)
where:
Base-Base interactions energy: -99.273
where: short stacking energy: -37.670
Base-Backbone interact. energy: -0.020
local terms energy: -43.796548
where:
bonds (distance) C4'-P energy: -8.654
bonds (distance) P-C4' energy: -8.998
flat angles C4'-P-C4' energy: -9.515
flat angles P-C4'-P energy: -7.986
tors. eta vs tors. theta energy: -8.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -142.290626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.290626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.290626 (E_RNA)
where:
Base-Base interactions energy: -97.685
where: short stacking energy: -40.741
Base-Backbone interact. energy: -0.335
local terms energy: -44.270399
where:
bonds (distance) C4'-P energy: -10.214
bonds (distance) P-C4' energy: -8.343
flat angles C4'-P-C4' energy: -9.526
flat angles P-C4'-P energy: -6.307
tors. eta vs tors. theta energy: -9.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -132.975191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.975191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.975191 (E_RNA)
where:
Base-Base interactions energy: -91.777
where: short stacking energy: -43.202
Base-Backbone interact. energy: -0.032
local terms energy: -41.166191
where:
bonds (distance) C4'-P energy: -6.624
bonds (distance) P-C4' energy: -11.113
flat angles C4'-P-C4' energy: -9.099
flat angles P-C4'-P energy: -3.771
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: 6, replica: 3
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -129.316674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.316674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.316674 (E_RNA)
where:
Base-Base interactions energy: -90.183
where: short stacking energy: -44.142
Base-Backbone interact. energy: -0.001
local terms energy: -39.132216
where:
bonds (distance) C4'-P energy: -6.873
bonds (distance) P-C4' energy: -10.553
flat angles C4'-P-C4' energy: -8.157
flat angles P-C4'-P energy: -6.296
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: 7, replica: 8
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -133.819073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.819073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.819073 (E_RNA)
where:
Base-Base interactions energy: -95.829
where: short stacking energy: -40.491
Base-Backbone interact. energy: -0.532
local terms energy: -37.458159
where:
bonds (distance) C4'-P energy: -8.924
bonds (distance) P-C4' energy: -7.799
flat angles C4'-P-C4' energy: -7.644
flat angles P-C4'-P energy: -3.642
tors. eta vs tors. theta energy: -9.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -60.661599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.661599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.661599 (E_RNA)
where:
Base-Base interactions energy: -26.973
where: short stacking energy: -27.073
Base-Backbone interact. energy: -0.101
local terms energy: -33.587928
where:
bonds (distance) C4'-P energy: -9.788
bonds (distance) P-C4' energy: -8.555
flat angles C4'-P-C4' energy: -3.675
flat angles P-C4'-P energy: -6.545
tors. eta vs tors. theta energy: -5.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -69.008685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.008685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.008685 (E_RNA)
where:
Base-Base interactions energy: -33.306
where: short stacking energy: -33.306
Base-Backbone interact. energy: -0.001
local terms energy: -35.702667
where:
bonds (distance) C4'-P energy: -8.864
bonds (distance) P-C4' energy: -6.408
flat angles C4'-P-C4' energy: -9.510
flat angles P-C4'-P energy: -4.344
tors. eta vs tors. theta energy: -6.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -61.164042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.164042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.164042 (E_RNA)
where:
Base-Base interactions energy: -31.862
where: short stacking energy: -19.272
Base-Backbone interact. energy: -0.094
local terms energy: -29.207515
where:
bonds (distance) C4'-P energy: -6.211
bonds (distance) P-C4' energy: -8.333
flat angles C4'-P-C4' energy: -7.598
flat angles P-C4'-P energy: -3.426
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: 4
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -147.129222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.129222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.129222 (E_RNA)
where:
Base-Base interactions energy: -99.616
where: short stacking energy: -47.401
Base-Backbone interact. energy: -0.492
local terms energy: -47.021542
where:
bonds (distance) C4'-P energy: -8.670
bonds (distance) P-C4' energy: -10.426
flat angles C4'-P-C4' energy: -9.371
flat angles P-C4'-P energy: -8.440
tors. eta vs tors. theta energy: -10.115
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: 9
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -141.287569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.287569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.287569 (E_RNA)
where:
Base-Base interactions energy: -96.505
where: short stacking energy: -46.364
Base-Backbone interact. energy: -1.277
local terms energy: -43.505855
where:
bonds (distance) C4'-P energy: -9.333
bonds (distance) P-C4' energy: -7.288
flat angles C4'-P-C4' energy: -9.233
flat angles P-C4'-P energy: -5.667
tors. eta vs tors. theta energy: -11.984
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: 3, replica: 10
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -139.091172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.091172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.091172 (E_RNA)
where:
Base-Base interactions energy: -100.621
where: short stacking energy: -40.607
Base-Backbone interact. energy: -0.001
local terms energy: -38.469974
where:
bonds (distance) C4'-P energy: -5.950
bonds (distance) P-C4' energy: -10.595
flat angles C4'-P-C4' energy: -9.627
flat angles P-C4'-P energy: -5.541
tors. eta vs tors. theta energy: -6.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -139.223056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.223056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.223056 (E_RNA)
where:
Base-Base interactions energy: -92.120
where: short stacking energy: -42.399
Base-Backbone interact. energy: -1.177
local terms energy: -45.925963
where:
bonds (distance) C4'-P energy: -8.914
bonds (distance) P-C4' energy: -10.662
flat angles C4'-P-C4' energy: -8.454
flat angles P-C4'-P energy: -8.396
tors. eta vs tors. theta energy: -9.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -130.366447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.366447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.366447 (E_RNA)
where:
Base-Base interactions energy: -90.067
where: short stacking energy: -42.557
Base-Backbone interact. energy: -0.000
local terms energy: -40.299629
where:
bonds (distance) C4'-P energy: -10.322
bonds (distance) P-C4' energy: -8.462
flat angles C4'-P-C4' energy: -9.552
flat angles P-C4'-P energy: -2.803
tors. eta vs tors. theta energy: -9.160
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: 3
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -132.252630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.252630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.252630 (E_RNA)
where:
Base-Base interactions energy: -90.886
where: short stacking energy: -39.164
Base-Backbone interact. energy: -0.029
local terms energy: -41.337961
where:
bonds (distance) C4'-P energy: -7.623
bonds (distance) P-C4' energy: -9.128
flat angles C4'-P-C4' energy: -9.351
flat angles P-C4'-P energy: -7.785
tors. eta vs tors. theta energy: -7.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -127.936889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.936889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.936889 (E_RNA)
where:
Base-Base interactions energy: -90.237
where: short stacking energy: -38.979
Base-Backbone interact. energy: -0.595
local terms energy: -37.105049
where:
bonds (distance) C4'-P energy: -7.283
bonds (distance) P-C4' energy: -9.803
flat angles C4'-P-C4' energy: -8.777
flat angles P-C4'-P energy: -4.203
tors. eta vs tors. theta energy: -7.039
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: 262
Temperature: 1.250000
Total energy: -58.448351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.448351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.448351 (E_RNA)
where:
Base-Base interactions energy: -34.094
where: short stacking energy: -23.441
Base-Backbone interact. energy: -0.380
local terms energy: -23.975002
where:
bonds (distance) C4'-P energy: -5.520
bonds (distance) P-C4' energy: -4.916
flat angles C4'-P-C4' energy: -7.774
flat angles P-C4'-P energy: -4.846
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: 9, replica: 7
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -62.365754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.365754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.365754 (E_RNA)
where:
Base-Base interactions energy: -25.884
where: short stacking energy: -25.884
Base-Backbone interact. energy: -0.001
local terms energy: -36.481375
where:
bonds (distance) C4'-P energy: -8.447
bonds (distance) P-C4' energy: -10.891
flat angles C4'-P-C4' energy: -7.637
flat angles P-C4'-P energy: -4.254
tors. eta vs tors. theta energy: -5.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -58.820574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.820574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.820574 (E_RNA)
where:
Base-Base interactions energy: -26.660
where: short stacking energy: -12.444
Base-Backbone interact. energy: -0.096
local terms energy: -32.065190
where:
bonds (distance) C4'-P energy: -8.484
bonds (distance) P-C4' energy: -8.816
flat angles C4'-P-C4' energy: -10.991
flat angles P-C4'-P energy: -7.573
tors. eta vs tors. theta energy: 3.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -142.582534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.582534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.582534 (E_RNA)
where:
Base-Base interactions energy: -99.172
where: short stacking energy: -46.836
Base-Backbone interact. energy: -1.248
local terms energy: -42.162429
where:
bonds (distance) C4'-P energy: -6.561
bonds (distance) P-C4' energy: -9.436
flat angles C4'-P-C4' energy: -10.550
flat angles P-C4'-P energy: -7.043
tors. eta vs tors. theta energy: -8.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -139.699245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.699245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.699245 (E_RNA)
where:
Base-Base interactions energy: -95.963
where: short stacking energy: -40.007
Base-Backbone interact. energy: -0.520
local terms energy: -43.216005
where:
bonds (distance) C4'-P energy: -9.121
bonds (distance) P-C4' energy: -10.355
flat angles C4'-P-C4' energy: -9.374
flat angles P-C4'-P energy: -6.981
tors. eta vs tors. theta energy: -7.385
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: 9
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -138.451073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.451073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.451073 (E_RNA)
where:
Base-Base interactions energy: -94.422
where: short stacking energy: -44.866
Base-Backbone interact. energy: -1.518
local terms energy: -42.511447
where:
bonds (distance) C4'-P energy: -9.697
bonds (distance) P-C4' energy: -9.736
flat angles C4'-P-C4' energy: -6.020
flat angles P-C4'-P energy: -8.253
tors. eta vs tors. theta energy: -8.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -138.018375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.018375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.018375 (E_RNA)
where:
Base-Base interactions energy: -96.168
where: short stacking energy: -44.931
Base-Backbone interact. energy: -0.984
local terms energy: -40.865639
where:
bonds (distance) C4'-P energy: -8.462
bonds (distance) P-C4' energy: -8.908
flat angles C4'-P-C4' energy: -9.534
flat angles P-C4'-P energy: -5.460
tors. eta vs tors. theta energy: -8.502
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: 5, replica: 1
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -136.977935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.977935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.977935 (E_RNA)
where:
Base-Base interactions energy: -94.005
where: short stacking energy: -43.818
Base-Backbone interact. energy: -0.351
local terms energy: -42.621695
where:
bonds (distance) C4'-P energy: -8.612
bonds (distance) P-C4' energy: -9.503
flat angles C4'-P-C4' energy: -5.051
flat angles P-C4'-P energy: -7.789
tors. eta vs tors. theta energy: -11.667
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: 6, replica: 8
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -136.618514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.618514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.618514 (E_RNA)
where:
Base-Base interactions energy: -91.644
where: short stacking energy: -42.087
Base-Backbone interact. energy: -0.862
local terms energy: -44.113254
where:
bonds (distance) C4'-P energy: -10.223
bonds (distance) P-C4' energy: -9.288
flat angles C4'-P-C4' energy: -9.812
flat angles P-C4'-P energy: -6.077
tors. eta vs tors. theta energy: -8.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -123.536105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.536105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.536105 (E_RNA)
where:
Base-Base interactions energy: -82.278
where: short stacking energy: -36.359
Base-Backbone interact. energy: -1.291
local terms energy: -39.966260
where:
bonds (distance) C4'-P energy: -9.005
bonds (distance) P-C4' energy: -9.091
flat angles C4'-P-C4' energy: -9.070
flat angles P-C4'-P energy: -6.841
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: 8, replica: 7
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -72.233552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.233552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.233552 (E_RNA)
where:
Base-Base interactions energy: -30.248
where: short stacking energy: -30.248
Base-Backbone interact. energy: -0.000
local terms energy: -41.985305
where:
bonds (distance) C4'-P energy: -7.800
bonds (distance) P-C4' energy: -9.506
flat angles C4'-P-C4' energy: -9.690
flat angles P-C4'-P energy: -6.465
tors. eta vs tors. theta energy: -8.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -59.948423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.948423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.948423 (E_RNA)
where:
Base-Base interactions energy: -29.877
where: short stacking energy: -22.127
Base-Backbone interact. energy: -0.046
local terms energy: -30.025490
where:
bonds (distance) C4'-P energy: -8.720
bonds (distance) P-C4' energy: -8.190
flat angles C4'-P-C4' energy: -6.810
flat angles P-C4'-P energy: -4.971
tors. eta vs tors. theta energy: -1.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -56.187298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.187298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.187298 (E_RNA)
where:
Base-Base interactions energy: -23.947
where: short stacking energy: -23.947
Base-Backbone interact. energy: -0.012
local terms energy: -32.228067
where:
bonds (distance) C4'-P energy: -8.252
bonds (distance) P-C4' energy: -8.404
flat angles C4'-P-C4' energy: -5.981
flat angles P-C4'-P energy: -5.386
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: 4
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -144.101605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.101605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.101605 (E_RNA)
where:
Base-Base interactions energy: -96.559
where: short stacking energy: -44.456
Base-Backbone interact. energy: -0.709
local terms energy: -46.834056
where:
bonds (distance) C4'-P energy: -8.678
bonds (distance) P-C4' energy: -10.687
flat angles C4'-P-C4' energy: -9.585
flat angles P-C4'-P energy: -7.992
tors. eta vs tors. theta energy: -9.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -138.794468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.794468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.794468 (E_RNA)
where:
Base-Base interactions energy: -91.598
where: short stacking energy: -42.968
Base-Backbone interact. energy: -0.744
local terms energy: -46.452295
where:
bonds (distance) C4'-P energy: -10.549
bonds (distance) P-C4' energy: -8.439
flat angles C4'-P-C4' energy: -9.753
flat angles P-C4'-P energy: -7.176
tors. eta vs tors. theta energy: -10.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -143.275406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.275406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.275406 (E_RNA)
where:
Base-Base interactions energy: -96.372
where: short stacking energy: -44.372
Base-Backbone interact. energy: -0.948
local terms energy: -45.954908
where:
bonds (distance) C4'-P energy: -7.735
bonds (distance) P-C4' energy: -11.360
flat angles C4'-P-C4' energy: -8.873
flat angles P-C4'-P energy: -8.428
tors. eta vs tors. theta energy: -9.558
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: 9
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -138.054455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.054455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.054455 (E_RNA)
where:
Base-Base interactions energy: -94.636
where: short stacking energy: -45.223
Base-Backbone interact. energy: 0.363
local terms energy: -43.781747
where:
bonds (distance) C4'-P energy: -8.235
bonds (distance) P-C4' energy: -9.538
flat angles C4'-P-C4' energy: -6.716
flat angles P-C4'-P energy: -7.586
tors. eta vs tors. theta energy: -11.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -131.097853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.097853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.097853 (E_RNA)
where:
Base-Base interactions energy: -86.267
where: short stacking energy: -36.891
Base-Backbone interact. energy: -0.729
local terms energy: -44.102064
where:
bonds (distance) C4'-P energy: -10.355
bonds (distance) P-C4' energy: -7.678
flat angles C4'-P-C4' energy: -8.912
flat angles P-C4'-P energy: -7.165
tors. eta vs tors. theta energy: -9.992
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: 6, replica: 1
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -131.535127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.535127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.535127 (E_RNA)
where:
Base-Base interactions energy: -88.838
where: short stacking energy: -40.946
Base-Backbone interact. energy: 0.050
local terms energy: -42.747652
where:
bonds (distance) C4'-P energy: -8.276
bonds (distance) P-C4' energy: -8.169
flat angles C4'-P-C4' energy: -8.391
flat angles P-C4'-P energy: -7.243
tors. eta vs tors. theta energy: -10.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -127.172493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.172493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.172493 (E_RNA)
where:
Base-Base interactions energy: -91.562
where: short stacking energy: -44.246
Base-Backbone interact. energy: -0.675
local terms energy: -34.935029
where:
bonds (distance) C4'-P energy: -3.379
bonds (distance) P-C4' energy: -8.629
flat angles C4'-P-C4' energy: -6.232
flat angles P-C4'-P energy: -7.099
tors. eta vs tors. theta energy: -9.597
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: 8, replica: 7
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -74.204360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.204360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.204360 (E_RNA)
where:
Base-Base interactions energy: -50.668
where: short stacking energy: -27.458
Base-Backbone interact. energy: 6.196
local terms energy: -29.732020
where:
bonds (distance) C4'-P energy: -4.803
bonds (distance) P-C4' energy: -10.230
flat angles C4'-P-C4' energy: -6.937
flat angles P-C4'-P energy: -2.809
tors. eta vs tors. theta energy: -4.952
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: 9, replica: 2
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -73.099808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.099808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.099808 (E_RNA)
where:
Base-Base interactions energy: -37.122
where: short stacking energy: -33.787
Base-Backbone interact. energy: -0.122
local terms energy: -35.855693
where:
bonds (distance) C4'-P energy: -9.850
bonds (distance) P-C4' energy: -8.165
flat angles C4'-P-C4' energy: -5.191
flat angles P-C4'-P energy: -7.526
tors. eta vs tors. theta energy: -5.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -64.890491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.890491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.890491 (E_RNA)
where:
Base-Base interactions energy: -32.935
where: short stacking energy: -23.279
Base-Backbone interact. energy: -0.034
local terms energy: -31.921572
where:
bonds (distance) C4'-P energy: -7.619
bonds (distance) P-C4' energy: -9.116
flat angles C4'-P-C4' energy: -7.060
flat angles P-C4'-P energy: -3.257
tors. eta vs tors. theta energy: -4.870
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: 1, replica: 4
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -151.891728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.891728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.891728 (E_RNA)
where:
Base-Base interactions energy: -111.785
where: short stacking energy: -46.498
Base-Backbone interact. energy: -0.006
local terms energy: -40.100186
where:
bonds (distance) C4'-P energy: -7.549
bonds (distance) P-C4' energy: -9.532
flat angles C4'-P-C4' energy: -9.502
flat angles P-C4'-P energy: -4.826
tors. eta vs tors. theta energy: -8.691
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: 10
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -138.313292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.313292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.313292 (E_RNA)
where:
Base-Base interactions energy: -96.054
where: short stacking energy: -43.436
Base-Backbone interact. energy: -1.561
local terms energy: -40.698564
where:
bonds (distance) C4'-P energy: -9.663
bonds (distance) P-C4' energy: -7.471
flat angles C4'-P-C4' energy: -9.415
flat angles P-C4'-P energy: -4.090
tors. eta vs tors. theta energy: -10.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -137.728169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.728169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.728169 (E_RNA)
where:
Base-Base interactions energy: -94.821
where: short stacking energy: -46.223
Base-Backbone interact. energy: -0.056
local terms energy: -42.851134
where:
bonds (distance) C4'-P energy: -8.960
bonds (distance) P-C4' energy: -9.051
flat angles C4'-P-C4' energy: -9.280
flat angles P-C4'-P energy: -5.714
tors. eta vs tors. theta energy: -9.845
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: 4, replica: 8
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -142.742678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.742678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.742678 (E_RNA)
where:
Base-Base interactions energy: -93.842
where: short stacking energy: -45.077
Base-Backbone interact. energy: -0.760
local terms energy: -48.140610
where:
bonds (distance) C4'-P energy: -10.053
bonds (distance) P-C4' energy: -10.302
flat angles C4'-P-C4' energy: -9.931
flat angles P-C4'-P energy: -8.539
tors. eta vs tors. theta energy: -9.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -132.326733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.326733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.326733 (E_RNA)
where:
Base-Base interactions energy: -91.156
where: short stacking energy: -37.767
Base-Backbone interact. energy: -0.019
local terms energy: -41.151763
where:
bonds (distance) C4'-P energy: -8.136
bonds (distance) P-C4' energy: -9.585
flat angles C4'-P-C4' energy: -9.475
flat angles P-C4'-P energy: -4.812
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: 6, replica: 3
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -132.685882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.685882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.685882 (E_RNA)
where:
Base-Base interactions energy: -91.389
where: short stacking energy: -42.901
Base-Backbone interact. energy: -0.018
local terms energy: -41.278602
where:
bonds (distance) C4'-P energy: -9.032
bonds (distance) P-C4' energy: -9.200
flat angles C4'-P-C4' energy: -8.376
flat angles P-C4'-P energy: -4.227
tors. eta vs tors. theta energy: -10.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -129.937814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.937814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.937814 (E_RNA)
where:
Base-Base interactions energy: -90.151
where: short stacking energy: -40.563
Base-Backbone interact. energy: -1.128
local terms energy: -38.658820
where:
bonds (distance) C4'-P energy: -4.733
bonds (distance) P-C4' energy: -9.524
flat angles C4'-P-C4' energy: -8.262
flat angles P-C4'-P energy: -6.782
tors. eta vs tors. theta energy: -9.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -66.553025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.553025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.553025 (E_RNA)
where:
Base-Base interactions energy: -33.479
where: short stacking energy: -33.479
Base-Backbone interact. energy: -0.001
local terms energy: -33.072920
where:
bonds (distance) C4'-P energy: -7.213
bonds (distance) P-C4' energy: -9.171
flat angles C4'-P-C4' energy: -7.519
flat angles P-C4'-P energy: -2.616
tors. eta vs tors. theta energy: -6.554
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: 2
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -54.789239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.789239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.789239 (E_RNA)
where:
Base-Base interactions energy: -22.182
where: short stacking energy: -22.182
Base-Backbone interact. energy: -0.291
local terms energy: -32.315841
where:
bonds (distance) C4'-P energy: -8.401
bonds (distance) P-C4' energy: -7.019
flat angles C4'-P-C4' energy: -8.556
flat angles P-C4'-P energy: -5.006
tors. eta vs tors. theta energy: -3.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -60.848850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.848850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.848850 (E_RNA)
where:
Base-Base interactions energy: -27.215
where: short stacking energy: -27.215
Base-Backbone interact. energy: -0.202
local terms energy: -33.432489
where:
bonds (distance) C4'-P energy: -6.521
bonds (distance) P-C4' energy: -8.365
flat angles C4'-P-C4' energy: -8.413
flat angles P-C4'-P energy: -6.668
tors. eta vs tors. theta energy: -3.465
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: 1, replica: 10
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -141.675068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.675068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.675068 (E_RNA)
where:
Base-Base interactions energy: -95.292
where: short stacking energy: -43.611
Base-Backbone interact. energy: -1.392
local terms energy: -44.990842
where:
bonds (distance) C4'-P energy: -10.347
bonds (distance) P-C4' energy: -10.119
flat angles C4'-P-C4' energy: -7.668
flat angles P-C4'-P energy: -7.848
tors. eta vs tors. theta energy: -9.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -148.900037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.900037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.900037 (E_RNA)
where:
Base-Base interactions energy: -113.015
where: short stacking energy: -44.359
Base-Backbone interact. energy: -0.008
local terms energy: -35.876594
where:
bonds (distance) C4'-P energy: -7.408
bonds (distance) P-C4' energy: -10.429
flat angles C4'-P-C4' energy: -8.395
flat angles P-C4'-P energy: -2.472
tors. eta vs tors. theta energy: -7.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -140.118874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.118874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.118874 (E_RNA)
where:
Base-Base interactions energy: -95.766
where: short stacking energy: -45.808
Base-Backbone interact. energy: -1.591
local terms energy: -42.762545
where:
bonds (distance) C4'-P energy: -8.278
bonds (distance) P-C4' energy: -8.537
flat angles C4'-P-C4' energy: -7.834
flat angles P-C4'-P energy: -6.448
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: 8
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -131.729759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.729759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.729759 (E_RNA)
where:
Base-Base interactions energy: -86.256
where: short stacking energy: -39.483
Base-Backbone interact. energy: -0.110
local terms energy: -45.363370
where:
bonds (distance) C4'-P energy: -9.709
bonds (distance) P-C4' energy: -11.095
flat angles C4'-P-C4' energy: -9.857
flat angles P-C4'-P energy: -5.261
tors. eta vs tors. theta energy: -9.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -139.357843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.357843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.357843 (E_RNA)
where:
Base-Base interactions energy: -95.233
where: short stacking energy: -42.750
Base-Backbone interact. energy: -0.239
local terms energy: -43.885569
where:
bonds (distance) C4'-P energy: -8.152
bonds (distance) P-C4' energy: -9.757
flat angles C4'-P-C4' energy: -7.467
flat angles P-C4'-P energy: -8.238
tors. eta vs tors. theta energy: -10.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -129.822863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.822863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.822863 (E_RNA)
where:
Base-Base interactions energy: -89.385
where: short stacking energy: -39.457
Base-Backbone interact. energy: -0.995
local terms energy: -39.443280
where:
bonds (distance) C4'-P energy: -8.828
bonds (distance) P-C4' energy: -8.502
flat angles C4'-P-C4' energy: -7.876
flat angles P-C4'-P energy: -6.569
tors. eta vs tors. theta energy: -7.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -123.901950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.901950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.901950 (E_RNA)
where:
Base-Base interactions energy: -85.313
where: short stacking energy: -41.123
Base-Backbone interact. energy: -0.215
local terms energy: -38.373645
where:
bonds (distance) C4'-P energy: -7.693
bonds (distance) P-C4' energy: -8.788
flat angles C4'-P-C4' energy: -9.782
flat angles P-C4'-P energy: -2.018
tors. eta vs tors. theta energy: -10.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -64.165670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.165670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.165670 (E_RNA)
where:
Base-Base interactions energy: -32.930
where: short stacking energy: -29.951
Base-Backbone interact. energy: -0.019
local terms energy: -31.216644
where:
bonds (distance) C4'-P energy: -3.946
bonds (distance) P-C4' energy: -9.774
flat angles C4'-P-C4' energy: -7.595
flat angles P-C4'-P energy: -2.818
tors. eta vs tors. theta energy: -7.084
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: 266
Temperature: 1.300000
Total energy: -58.894822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.894822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.894822 (E_RNA)
where:
Base-Base interactions energy: -23.213
where: short stacking energy: -18.779
Base-Backbone interact. energy: -0.393
local terms energy: -35.288291
where:
bonds (distance) C4'-P energy: -7.337
bonds (distance) P-C4' energy: -10.324
flat angles C4'-P-C4' energy: -9.345
flat angles P-C4'-P energy: -4.609
tors. eta vs tors. theta energy: -3.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -56.843187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.843187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.843187 (E_RNA)
where:
Base-Base interactions energy: -26.495
where: short stacking energy: -17.112
Base-Backbone interact. energy: 1.675
local terms energy: -32.022884
where:
bonds (distance) C4'-P energy: -7.635
bonds (distance) P-C4' energy: -9.524
flat angles C4'-P-C4' energy: -6.905
flat angles P-C4'-P energy: -5.642
tors. eta vs tors. theta energy: -2.316
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: 1, replica: 10
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -139.634504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.634504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.634504 (E_RNA)
where:
Base-Base interactions energy: -98.052
where: short stacking energy: -46.850
Base-Backbone interact. energy: 0.163
local terms energy: -41.745982
where:
bonds (distance) C4'-P energy: -8.608
bonds (distance) P-C4' energy: -10.563
flat angles C4'-P-C4' energy: -7.973
flat angles P-C4'-P energy: -5.364
tors. eta vs tors. theta energy: -9.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -148.966279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.966279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.966279 (E_RNA)
where:
Base-Base interactions energy: -110.134
where: short stacking energy: -44.204
Base-Backbone interact. energy: -0.246
local terms energy: -38.586189
where:
bonds (distance) C4'-P energy: -9.735
bonds (distance) P-C4' energy: -10.190
flat angles C4'-P-C4' energy: -7.642
flat angles P-C4'-P energy: -0.946
tors. eta vs tors. theta energy: -10.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -133.767309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.767309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.767309 (E_RNA)
where:
Base-Base interactions energy: -88.631
where: short stacking energy: -42.589
Base-Backbone interact. energy: -0.003
local terms energy: -45.132984
where:
bonds (distance) C4'-P energy: -7.909
bonds (distance) P-C4' energy: -8.753
flat angles C4'-P-C4' energy: -10.496
flat angles P-C4'-P energy: -8.875
tors. eta vs tors. theta energy: -9.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -130.306170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.306170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.306170 (E_RNA)
where:
Base-Base interactions energy: -89.619
where: short stacking energy: -40.174
Base-Backbone interact. energy: 0.240
local terms energy: -40.927030
where:
bonds (distance) C4'-P energy: -5.615
bonds (distance) P-C4' energy: -8.830
flat angles C4'-P-C4' energy: -8.808
flat angles P-C4'-P energy: -7.118
tors. eta vs tors. theta energy: -10.556
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: 8
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -129.703713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.703713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.703713 (E_RNA)
where:
Base-Base interactions energy: -86.206
where: short stacking energy: -39.437
Base-Backbone interact. energy: -0.289
local terms energy: -43.208222
where:
bonds (distance) C4'-P energy: -9.382
bonds (distance) P-C4' energy: -9.416
flat angles C4'-P-C4' energy: -9.215
flat angles P-C4'-P energy: -7.098
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: 1
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -134.357772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.357772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.357772 (E_RNA)
where:
Base-Base interactions energy: -89.446
where: short stacking energy: -39.709
Base-Backbone interact. energy: -1.107
local terms energy: -43.805291
where:
bonds (distance) C4'-P energy: -6.811
bonds (distance) P-C4' energy: -11.342
flat angles C4'-P-C4' energy: -7.558
flat angles P-C4'-P energy: -6.584
tors. eta vs tors. theta energy: -11.510
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: 7, replica: 9
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -124.143102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.143102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.143102 (E_RNA)
where:
Base-Base interactions energy: -85.377
where: short stacking energy: -37.800
Base-Backbone interact. energy: -0.003
local terms energy: -38.763983
where:
bonds (distance) C4'-P energy: -7.183
bonds (distance) P-C4' energy: -10.895
flat angles C4'-P-C4' energy: -6.339
flat angles P-C4'-P energy: -6.442
tors. eta vs tors. theta energy: -7.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -63.096079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.096079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.096079 (E_RNA)
where:
Base-Base interactions energy: -29.337
where: short stacking energy: -14.856
Base-Backbone interact. energy: -0.191
local terms energy: -33.567802
where:
bonds (distance) C4'-P energy: -10.053
bonds (distance) P-C4' energy: -8.758
flat angles C4'-P-C4' energy: -9.021
flat angles P-C4'-P energy: -4.250
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: 9, replica: 6
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -76.768997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.768997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.768997 (E_RNA)
where:
Base-Base interactions energy: -44.071
where: short stacking energy: -24.355
Base-Backbone interact. energy: -0.273
local terms energy: -32.424961
where:
bonds (distance) C4'-P energy: -7.834
bonds (distance) P-C4' energy: -9.972
flat angles C4'-P-C4' energy: -8.042
flat angles P-C4'-P energy: -2.212
tors. eta vs tors. theta energy: -4.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -65.206277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.206277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.206277 (E_RNA)
where:
Base-Base interactions energy: -34.424
where: short stacking energy: -22.412
Base-Backbone interact. energy: -0.000
local terms energy: -30.781845
where:
bonds (distance) C4'-P energy: -9.887
bonds (distance) P-C4' energy: -7.996
flat angles C4'-P-C4' energy: -2.838
flat angles P-C4'-P energy: -4.640
tors. eta vs tors. theta energy: -5.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -144.313564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.313564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.313564 (E_RNA)
where:
Base-Base interactions energy: -103.401
where: short stacking energy: -42.486
Base-Backbone interact. energy: -0.030
local terms energy: -40.882800
where:
bonds (distance) C4'-P energy: -7.735
bonds (distance) P-C4' energy: -10.383
flat angles C4'-P-C4' energy: -10.353
flat angles P-C4'-P energy: -3.042
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: 2, replica: 4
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -138.920221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.920221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.920221 (E_RNA)
where:
Base-Base interactions energy: -94.127
where: short stacking energy: -42.848
Base-Backbone interact. energy: -1.208
local terms energy: -43.585595
where:
bonds (distance) C4'-P energy: -8.588
bonds (distance) P-C4' energy: -9.616
flat angles C4'-P-C4' energy: -9.238
flat angles P-C4'-P energy: -8.479
tors. eta vs tors. theta energy: -7.665
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: 3
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -138.403827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.403827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.403827 (E_RNA)
where:
Base-Base interactions energy: -95.227
where: short stacking energy: -45.057
Base-Backbone interact. energy: -0.910
local terms energy: -42.267549
where:
bonds (distance) C4'-P energy: -9.975
bonds (distance) P-C4' energy: -6.827
flat angles C4'-P-C4' energy: -9.679
flat angles P-C4'-P energy: -5.949
tors. eta vs tors. theta energy: -9.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -133.571339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.571339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.571339 (E_RNA)
where:
Base-Base interactions energy: -91.811
where: short stacking energy: -41.943
Base-Backbone interact. energy: 0.287
local terms energy: -42.048091
where:
bonds (distance) C4'-P energy: -9.859
bonds (distance) P-C4' energy: -5.493
flat angles C4'-P-C4' energy: -8.941
flat angles P-C4'-P energy: -7.004
tors. eta vs tors. theta energy: -10.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -132.953307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.953307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.953307 (E_RNA)
where:
Base-Base interactions energy: -89.404
where: short stacking energy: -43.213
Base-Backbone interact. energy: -1.320
local terms energy: -42.228366
where:
bonds (distance) C4'-P energy: -9.859
bonds (distance) P-C4' energy: -10.063
flat angles C4'-P-C4' energy: -7.145
flat angles P-C4'-P energy: -6.396
tors. eta vs tors. theta energy: -8.766
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: 8
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -127.650446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.650446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.650446 (E_RNA)
where:
Base-Base interactions energy: -86.368
where: short stacking energy: -36.246
Base-Backbone interact. energy: -0.862
local terms energy: -40.421161
where:
bonds (distance) C4'-P energy: -7.941
bonds (distance) P-C4' energy: -9.274
flat angles C4'-P-C4' energy: -9.246
flat angles P-C4'-P energy: -6.824
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: 7, replica: 9
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -121.944153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.944153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.944153 (E_RNA)
where:
Base-Base interactions energy: -80.026
where: short stacking energy: -34.514
Base-Backbone interact. energy: -1.763
local terms energy: -40.154913
where:
bonds (distance) C4'-P energy: -7.755
bonds (distance) P-C4' energy: -9.573
flat angles C4'-P-C4' energy: -8.620
flat angles P-C4'-P energy: -7.351
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: 8, replica: 7
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -65.454523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.454523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.454523 (E_RNA)
where:
Base-Base interactions energy: -33.337
where: short stacking energy: -20.099
Base-Backbone interact. energy: 0.919
local terms energy: -33.036744
where:
bonds (distance) C4'-P energy: -8.800
bonds (distance) P-C4' energy: -10.035
flat angles C4'-P-C4' energy: -6.383
flat angles P-C4'-P energy: -4.833
tors. eta vs tors. theta energy: -2.985
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: 2
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -59.917141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.917141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.917141 (E_RNA)
where:
Base-Base interactions energy: -27.486
where: short stacking energy: -27.486
Base-Backbone interact. energy: -0.046
local terms energy: -32.385131
where:
bonds (distance) C4'-P energy: -9.097
bonds (distance) P-C4' energy: -7.715
flat angles C4'-P-C4' energy: -8.852
flat angles P-C4'-P energy: -6.616
tors. eta vs tors. theta energy: -0.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -56.069653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.069653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.069653 (E_RNA)
where:
Base-Base interactions energy: -27.860
where: short stacking energy: -23.041
Base-Backbone interact. energy: -0.020
local terms energy: -28.190270
where:
bonds (distance) C4'-P energy: -6.687
bonds (distance) P-C4' energy: -10.333
flat angles C4'-P-C4' energy: -3.405
flat angles P-C4'-P energy: -4.420
tors. eta vs tors. theta energy: -3.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -140.180925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.180925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.180925 (E_RNA)
where:
Base-Base interactions energy: -93.749
where: short stacking energy: -40.879
Base-Backbone interact. energy: -0.609
local terms energy: -45.822745
where:
bonds (distance) C4'-P energy: -9.201
bonds (distance) P-C4' energy: -10.444
flat angles C4'-P-C4' energy: -9.129
flat angles P-C4'-P energy: -8.242
tors. eta vs tors. theta energy: -8.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -144.073633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.073633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.073633 (E_RNA)
where:
Base-Base interactions energy: -111.187
where: short stacking energy: -43.142
Base-Backbone interact. energy: -0.038
local terms energy: -32.849081
where:
bonds (distance) C4'-P energy: -3.000
bonds (distance) P-C4' energy: -7.846
flat angles C4'-P-C4' energy: -9.212
flat angles P-C4'-P energy: -4.813
tors. eta vs tors. theta energy: -7.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -139.279788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.279788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.279788 (E_RNA)
where:
Base-Base interactions energy: -96.315
where: short stacking energy: -45.770
Base-Backbone interact. energy: -1.301
local terms energy: -41.664114
where:
bonds (distance) C4'-P energy: -8.919
bonds (distance) P-C4' energy: -7.917
flat angles C4'-P-C4' energy: -8.460
flat angles P-C4'-P energy: -7.808
tors. eta vs tors. theta energy: -8.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -142.066349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.066349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.066349 (E_RNA)
where:
Base-Base interactions energy: -107.259
where: short stacking energy: -43.532
Base-Backbone interact. energy: -0.003
local terms energy: -34.803780
where:
bonds (distance) C4'-P energy: -9.929
bonds (distance) P-C4' energy: -6.871
flat angles C4'-P-C4' energy: -9.178
flat angles P-C4'-P energy: 0.100
tors. eta vs tors. theta energy: -8.926
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: 269
Temperature: 1.100000
Total energy: -135.022561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.022561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.022561 (E_RNA)
where:
Base-Base interactions energy: -93.602
where: short stacking energy: -39.157
Base-Backbone interact. energy: -0.075
local terms energy: -41.345938
where:
bonds (distance) C4'-P energy: -8.268
bonds (distance) P-C4' energy: -8.228
flat angles C4'-P-C4' energy: -9.263
flat angles P-C4'-P energy: -7.220
tors. eta vs tors. theta energy: -8.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -134.163139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.163139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.163139 (E_RNA)
where:
Base-Base interactions energy: -88.647
where: short stacking energy: -40.670
Base-Backbone interact. energy: -0.587
local terms energy: -44.929357
where:
bonds (distance) C4'-P energy: -9.350
bonds (distance) P-C4' energy: -10.190
flat angles C4'-P-C4' energy: -8.899
flat angles P-C4'-P energy: -6.937
tors. eta vs tors. theta energy: -9.553
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: 8
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -118.109792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.109792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.109792 (E_RNA)
where:
Base-Base interactions energy: -83.678
where: short stacking energy: -34.982
Base-Backbone interact. energy: -1.210
local terms energy: -33.221189
where:
bonds (distance) C4'-P energy: -7.354
bonds (distance) P-C4' energy: -9.059
flat angles C4'-P-C4' energy: -9.525
flat angles P-C4'-P energy: -3.762
tors. eta vs tors. theta energy: -3.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -76.550187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.550187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.550187 (E_RNA)
where:
Base-Base interactions energy: -38.105
where: short stacking energy: -29.985
Base-Backbone interact. energy: -0.490
local terms energy: -37.955224
where:
bonds (distance) C4'-P energy: -9.867
bonds (distance) P-C4' energy: -9.337
flat angles C4'-P-C4' energy: -5.311
flat angles P-C4'-P energy: -5.884
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: 9, replica: 7
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -62.777531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.777531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.777531 (E_RNA)
where:
Base-Base interactions energy: -27.156
where: short stacking energy: -27.156
Base-Backbone interact. energy: 0.448
local terms energy: -36.068953
where:
bonds (distance) C4'-P energy: -9.229
bonds (distance) P-C4' energy: -10.211
flat angles C4'-P-C4' energy: -6.225
flat angles P-C4'-P energy: -3.345
tors. eta vs tors. theta energy: -7.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -61.782674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.782674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.782674 (E_RNA)
where:
Base-Base interactions energy: -33.033
where: short stacking energy: -32.926
Base-Backbone interact. energy: -0.018
local terms energy: -28.731846
where:
bonds (distance) C4'-P energy: -7.702
bonds (distance) P-C4' energy: -8.362
flat angles C4'-P-C4' energy: -6.502
flat angles P-C4'-P energy: -3.924
tors. eta vs tors. theta energy: -2.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -152.348235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.348235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.348235 (E_RNA)
where:
Base-Base interactions energy: -111.437
where: short stacking energy: -46.165
Base-Backbone interact. energy: -0.066
local terms energy: -40.845191
where:
bonds (distance) C4'-P energy: -9.130
bonds (distance) P-C4' energy: -9.929
flat angles C4'-P-C4' energy: -8.885
flat angles P-C4'-P energy: -2.773
tors. eta vs tors. theta energy: -10.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -144.763140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.763140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.763140 (E_RNA)
where:
Base-Base interactions energy: -98.008
where: short stacking energy: -46.248
Base-Backbone interact. energy: -1.571
local terms energy: -45.183537
where:
bonds (distance) C4'-P energy: -6.211
bonds (distance) P-C4' energy: -9.922
flat angles C4'-P-C4' energy: -10.055
flat angles P-C4'-P energy: -7.582
tors. eta vs tors. theta energy: -11.413
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: 3, replica: 1
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -137.329182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.329182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.329182 (E_RNA)
where:
Base-Base interactions energy: -96.885
where: short stacking energy: -44.278
Base-Backbone interact. energy: -0.512
local terms energy: -39.931538
where:
bonds (distance) C4'-P energy: -10.115
bonds (distance) P-C4' energy: -6.582
flat angles C4'-P-C4' energy: -8.286
flat angles P-C4'-P energy: -6.143
tors. eta vs tors. theta energy: -8.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -136.488104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.488104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.488104 (E_RNA)
where:
Base-Base interactions energy: -96.271
where: short stacking energy: -45.409
Base-Backbone interact. energy: -1.090
local terms energy: -39.126833
where:
bonds (distance) C4'-P energy: -8.898
bonds (distance) P-C4' energy: -7.352
flat angles C4'-P-C4' energy: -7.586
flat angles P-C4'-P energy: -5.478
tors. eta vs tors. theta energy: -9.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -137.725782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.725782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.725782 (E_RNA)
where:
Base-Base interactions energy: -91.922
where: short stacking energy: -41.682
Base-Backbone interact. energy: -0.706
local terms energy: -45.097472
where:
bonds (distance) C4'-P energy: -9.991
bonds (distance) P-C4' energy: -9.151
flat angles C4'-P-C4' energy: -9.188
flat angles P-C4'-P energy: -7.353
tors. eta vs tors. theta energy: -9.414
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: 270
Temperature: 1.150000
Total energy: -137.985819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.985819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.985819 (E_RNA)
where:
Base-Base interactions energy: -94.391
where: short stacking energy: -41.749
Base-Backbone interact. energy: -1.118
local terms energy: -42.477185
where:
bonds (distance) C4'-P energy: -6.840
bonds (distance) P-C4' energy: -8.911
flat angles C4'-P-C4' energy: -9.581
flat angles P-C4'-P energy: -6.801
tors. eta vs tors. theta energy: -10.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -128.547845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.547845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.547845 (E_RNA)
where:
Base-Base interactions energy: -95.507
where: short stacking energy: -44.886
Base-Backbone interact. energy: -1.737
local terms energy: -31.304561
where:
bonds (distance) C4'-P energy: -5.595
bonds (distance) P-C4' energy: -5.966
flat angles C4'-P-C4' energy: -6.387
flat angles P-C4'-P energy: -5.594
tors. eta vs tors. theta energy: -7.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -60.553431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.553431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.553431 (E_RNA)
where:
Base-Base interactions energy: -27.043
where: short stacking energy: -27.043
Base-Backbone interact. energy: -0.052
local terms energy: -33.458497
where:
bonds (distance) C4'-P energy: -5.524
bonds (distance) P-C4' energy: -8.658
flat angles C4'-P-C4' energy: -7.177
flat angles P-C4'-P energy: -6.521
tors. eta vs tors. theta energy: -5.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -64.078246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.078246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.078246 (E_RNA)
where:
Base-Base interactions energy: -31.891
where: short stacking energy: -31.891
Base-Backbone interact. energy: -0.392
local terms energy: -31.795284
where:
bonds (distance) C4'-P energy: -7.093
bonds (distance) P-C4' energy: -5.497
flat angles C4'-P-C4' energy: -7.978
flat angles P-C4'-P energy: -4.563
tors. eta vs tors. theta energy: -6.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -59.153113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.153113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.153113 (E_RNA)
where:
Base-Base interactions energy: -29.914
where: short stacking energy: -28.000
Base-Backbone interact. energy: -0.176
local terms energy: -29.062650
where:
bonds (distance) C4'-P energy: -6.145
bonds (distance) P-C4' energy: -9.073
flat angles C4'-P-C4' energy: -5.083
flat angles P-C4'-P energy: -2.803
tors. eta vs tors. theta energy: -5.958
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: 4
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -153.252731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.252731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.252731 (E_RNA)
where:
Base-Base interactions energy: -113.931
where: short stacking energy: -44.831
Base-Backbone interact. energy: -0.162
local terms energy: -39.159031
where:
bonds (distance) C4'-P energy: -8.203
bonds (distance) P-C4' energy: -9.284
flat angles C4'-P-C4' energy: -10.380
flat angles P-C4'-P energy: -2.699
tors. eta vs tors. theta energy: -8.593
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: 1
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -142.400872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.400872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.400872 (E_RNA)
where:
Base-Base interactions energy: -96.949
where: short stacking energy: -46.861
Base-Backbone interact. energy: -1.258
local terms energy: -44.193278
where:
bonds (distance) C4'-P energy: -9.953
bonds (distance) P-C4' energy: -10.662
flat angles C4'-P-C4' energy: -8.062
flat angles P-C4'-P energy: -6.124
tors. eta vs tors. theta energy: -9.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -136.632578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.632578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.632578 (E_RNA)
where:
Base-Base interactions energy: -94.830
where: short stacking energy: -43.986
Base-Backbone interact. energy: -0.132
local terms energy: -41.670702
where:
bonds (distance) C4'-P energy: -8.630
bonds (distance) P-C4' energy: -9.538
flat angles C4'-P-C4' energy: -7.887
flat angles P-C4'-P energy: -6.871
tors. eta vs tors. theta energy: -8.744
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: 9
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -135.259705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.259705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.259705 (E_RNA)
where:
Base-Base interactions energy: -92.227
where: short stacking energy: -38.765
Base-Backbone interact. energy: -0.270
local terms energy: -42.762839
where:
bonds (distance) C4'-P energy: -9.032
bonds (distance) P-C4' energy: -10.172
flat angles C4'-P-C4' energy: -6.569
flat angles P-C4'-P energy: -7.447
tors. eta vs tors. theta energy: -9.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -124.504189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.504189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.504189 (E_RNA)
where:
Base-Base interactions energy: -83.544
where: short stacking energy: -38.153
Base-Backbone interact. energy: -0.289
local terms energy: -40.670694
where:
bonds (distance) C4'-P energy: -8.513
bonds (distance) P-C4' energy: -7.938
flat angles C4'-P-C4' energy: -10.308
flat angles P-C4'-P energy: -6.641
tors. eta vs tors. theta energy: -7.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -136.624947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.624947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.624947 (E_RNA)
where:
Base-Base interactions energy: -94.851
where: short stacking energy: -44.022
Base-Backbone interact. energy: -0.005
local terms energy: -41.768766
where:
bonds (distance) C4'-P energy: -8.128
bonds (distance) P-C4' energy: -8.372
flat angles C4'-P-C4' energy: -8.504
flat angles P-C4'-P energy: -4.630
tors. eta vs tors. theta energy: -12.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -129.008924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.008924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.008924 (E_RNA)
where:
Base-Base interactions energy: -86.819
where: short stacking energy: -38.325
Base-Backbone interact. energy: -1.758
local terms energy: -40.431138
where:
bonds (distance) C4'-P energy: -9.635
bonds (distance) P-C4' energy: -9.151
flat angles C4'-P-C4' energy: -7.231
flat angles P-C4'-P energy: -7.416
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: 8, replica: 6
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -63.784404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.784404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.784404 (E_RNA)
where:
Base-Base interactions energy: -29.909
where: short stacking energy: -23.559
Base-Backbone interact. energy: 0.063
local terms energy: -33.939127
where:
bonds (distance) C4'-P energy: -8.790
bonds (distance) P-C4' energy: -9.541
flat angles C4'-P-C4' energy: -8.287
flat angles P-C4'-P energy: -4.379
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: 2
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -58.245125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.245125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.245125 (E_RNA)
where:
Base-Base interactions energy: -26.016
where: short stacking energy: -16.929
Base-Backbone interact. energy: -0.008
local terms energy: -32.220785
where:
bonds (distance) C4'-P energy: -9.415
bonds (distance) P-C4' energy: -10.408
flat angles C4'-P-C4' energy: -7.156
flat angles P-C4'-P energy: -2.276
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: 10, replica: 7
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -70.513973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.513973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.513973 (E_RNA)
where:
Base-Base interactions energy: -40.354
where: short stacking energy: -14.160
Base-Backbone interact. energy: -0.031
local terms energy: -30.129265
where:
bonds (distance) C4'-P energy: -7.391
bonds (distance) P-C4' energy: -9.757
flat angles C4'-P-C4' energy: -6.192
flat angles P-C4'-P energy: -5.586
tors. eta vs tors. theta energy: -1.203
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: 1
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -139.589422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.589422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.589422 (E_RNA)
where:
Base-Base interactions energy: -93.868
where: short stacking energy: -46.190
Base-Backbone interact. energy: -0.976
local terms energy: -44.745475
where:
bonds (distance) C4'-P energy: -8.934
bonds (distance) P-C4' energy: -9.457
flat angles C4'-P-C4' energy: -10.430
flat angles P-C4'-P energy: -6.249
tors. eta vs tors. theta energy: -9.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -146.902103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.902103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.902103 (E_RNA)
where:
Base-Base interactions energy: -106.250
where: short stacking energy: -42.655
Base-Backbone interact. energy: -0.585
local terms energy: -40.067474
where:
bonds (distance) C4'-P energy: -9.681
bonds (distance) P-C4' energy: -8.411
flat angles C4'-P-C4' energy: -9.187
flat angles P-C4'-P energy: -4.056
tors. eta vs tors. theta energy: -8.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -134.859455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.859455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.859455 (E_RNA)
where:
Base-Base interactions energy: -91.506
where: short stacking energy: -41.193
Base-Backbone interact. energy: -0.125
local terms energy: -43.228393
where:
bonds (distance) C4'-P energy: -6.655
bonds (distance) P-C4' energy: -10.458
flat angles C4'-P-C4' energy: -8.537
flat angles P-C4'-P energy: -6.237
tors. eta vs tors. theta energy: -11.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -135.881821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.881821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.881821 (E_RNA)
where:
Base-Base interactions energy: -95.801
where: short stacking energy: -45.093
Base-Backbone interact. energy: -1.065
local terms energy: -39.015554
where:
bonds (distance) C4'-P energy: -7.092
bonds (distance) P-C4' energy: -10.419
flat angles C4'-P-C4' energy: -9.476
flat angles P-C4'-P energy: -4.140
tors. eta vs tors. theta energy: -7.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -127.816005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.816005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.816005 (E_RNA)
where:
Base-Base interactions energy: -81.503
where: short stacking energy: -39.868
Base-Backbone interact. energy: -0.003
local terms energy: -46.310115
where:
bonds (distance) C4'-P energy: -9.229
bonds (distance) P-C4' energy: -10.183
flat angles C4'-P-C4' energy: -9.925
flat angles P-C4'-P energy: -7.117
tors. eta vs tors. theta energy: -9.856
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: 3
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -132.874589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.874589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.874589 (E_RNA)
where:
Base-Base interactions energy: -88.993
where: short stacking energy: -41.502
Base-Backbone interact. energy: -0.876
local terms energy: -43.005718
where:
bonds (distance) C4'-P energy: -8.640
bonds (distance) P-C4' energy: -9.380
flat angles C4'-P-C4' energy: -8.793
flat angles P-C4'-P energy: -7.458
tors. eta vs tors. theta energy: -8.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -124.710677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.710677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.710677 (E_RNA)
where:
Base-Base interactions energy: -88.391
where: short stacking energy: -36.045
Base-Backbone interact. energy: -0.592
local terms energy: -35.727625
where:
bonds (distance) C4'-P energy: -10.028
bonds (distance) P-C4' energy: -7.576
flat angles C4'-P-C4' energy: -8.746
flat angles P-C4'-P energy: -1.932
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: 6
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -62.108737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.108737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.108737 (E_RNA)
where:
Base-Base interactions energy: -28.063
where: short stacking energy: -14.012
Base-Backbone interact. energy: -0.016
local terms energy: -34.030340
where:
bonds (distance) C4'-P energy: -7.736
bonds (distance) P-C4' energy: -10.215
flat angles C4'-P-C4' energy: -8.923
flat angles P-C4'-P energy: -5.062
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: 2
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -63.141430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.141430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.141430 (E_RNA)
where:
Base-Base interactions energy: -34.939
where: short stacking energy: -14.310
Base-Backbone interact. energy: 0.782
local terms energy: -28.984494
where:
bonds (distance) C4'-P energy: -8.840
bonds (distance) P-C4' energy: -9.821
flat angles C4'-P-C4' energy: -5.524
flat angles P-C4'-P energy: -5.690
tors. eta vs tors. theta energy: 0.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -62.255377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.255377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.255377 (E_RNA)
where:
Base-Base interactions energy: -33.745
where: short stacking energy: -29.099
Base-Backbone interact. energy: -0.218
local terms energy: -28.291920
where:
bonds (distance) C4'-P energy: -6.956
bonds (distance) P-C4' energy: -10.215
flat angles C4'-P-C4' energy: -6.121
flat angles P-C4'-P energy: -3.573
tors. eta vs tors. theta energy: -1.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -143.285612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.285612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.285612 (E_RNA)
where:
Base-Base interactions energy: -97.323
where: short stacking energy: -45.437
Base-Backbone interact. energy: -1.147
local terms energy: -44.815175
where:
bonds (distance) C4'-P energy: -9.014
bonds (distance) P-C4' energy: -9.739
flat angles C4'-P-C4' energy: -7.759
flat angles P-C4'-P energy: -8.213
tors. eta vs tors. theta energy: -10.090
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: 4
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -150.406275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.406275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.406275 (E_RNA)
where:
Base-Base interactions energy: -109.142
where: short stacking energy: -43.134
Base-Backbone interact. energy: -0.456
local terms energy: -40.807690
where:
bonds (distance) C4'-P energy: -9.361
bonds (distance) P-C4' energy: -9.925
flat angles C4'-P-C4' energy: -8.348
flat angles P-C4'-P energy: -4.119
tors. eta vs tors. theta energy: -9.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -139.026324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.026324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.026324 (E_RNA)
where:
Base-Base interactions energy: -96.467
where: short stacking energy: -44.406
Base-Backbone interact. energy: -0.307
local terms energy: -42.252062
where:
bonds (distance) C4'-P energy: -8.100
bonds (distance) P-C4' energy: -10.550
flat angles C4'-P-C4' energy: -8.367
flat angles P-C4'-P energy: -6.568
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: 4, replica: 10
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -137.118161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.118161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.118161 (E_RNA)
where:
Base-Base interactions energy: -96.083
where: short stacking energy: -45.962
Base-Backbone interact. energy: -0.001
local terms energy: -41.033651
where:
bonds (distance) C4'-P energy: -8.624
bonds (distance) P-C4' energy: -7.692
flat angles C4'-P-C4' energy: -8.547
flat angles P-C4'-P energy: -5.445
tors. eta vs tors. theta energy: -10.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -129.737566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.737566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.737566 (E_RNA)
where:
Base-Base interactions energy: -90.509
where: short stacking energy: -36.986
Base-Backbone interact. energy: -1.328
local terms energy: -37.900222
where:
bonds (distance) C4'-P energy: -5.147
bonds (distance) P-C4' energy: -10.362
flat angles C4'-P-C4' energy: -7.591
flat angles P-C4'-P energy: -4.610
tors. eta vs tors. theta energy: -10.191
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: 5
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -133.325418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.325418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.325418 (E_RNA)
where:
Base-Base interactions energy: -92.537
where: short stacking energy: -42.973
Base-Backbone interact. energy: -1.731
local terms energy: -39.057648
where:
bonds (distance) C4'-P energy: -6.545
bonds (distance) P-C4' energy: -8.066
flat angles C4'-P-C4' energy: -9.490
flat angles P-C4'-P energy: -6.923
tors. eta vs tors. theta energy: -8.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -135.037883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.037883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.037883 (E_RNA)
where:
Base-Base interactions energy: -97.225
where: short stacking energy: -41.874
Base-Backbone interact. energy: -0.911
local terms energy: -36.902028
where:
bonds (distance) C4'-P energy: -3.272
bonds (distance) P-C4' energy: -7.451
flat angles C4'-P-C4' energy: -8.067
flat angles P-C4'-P energy: -6.643
tors. eta vs tors. theta energy: -11.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -58.189549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.189549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.189549 (E_RNA)
where:
Base-Base interactions energy: -26.883
where: short stacking energy: -26.883
Base-Backbone interact. energy: -0.041
local terms energy: -31.265309
where:
bonds (distance) C4'-P energy: -5.130
bonds (distance) P-C4' energy: -9.249
flat angles C4'-P-C4' energy: -9.215
flat angles P-C4'-P energy: -3.325
tors. eta vs tors. theta energy: -4.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -67.958613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.958613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.958613 (E_RNA)
where:
Base-Base interactions energy: -28.597
where: short stacking energy: -28.597
Base-Backbone interact. energy: -0.028
local terms energy: -39.333757
where:
bonds (distance) C4'-P energy: -8.757
bonds (distance) P-C4' energy: -8.736
flat angles C4'-P-C4' energy: -9.146
flat angles P-C4'-P energy: -6.807
tors. eta vs tors. theta energy: -5.888
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: 7
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -76.632613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.632613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.632613 (E_RNA)
where:
Base-Base interactions energy: -45.836
where: short stacking energy: -30.397
Base-Backbone interact. energy: -0.034
local terms energy: -30.763117
where:
bonds (distance) C4'-P energy: -8.240
bonds (distance) P-C4' energy: -7.424
flat angles C4'-P-C4' energy: -3.758
flat angles P-C4'-P energy: -4.692
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: 1, replica: 4
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -151.842257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.842257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.842257 (E_RNA)
where:
Base-Base interactions energy: -113.784
where: short stacking energy: -41.595
Base-Backbone interact. energy: -0.006
local terms energy: -38.052086
where:
bonds (distance) C4'-P energy: -9.283
bonds (distance) P-C4' energy: -9.175
flat angles C4'-P-C4' energy: -9.295
flat angles P-C4'-P energy: -1.403
tors. eta vs tors. theta energy: -8.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -139.420694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.420694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.420694 (E_RNA)
where:
Base-Base interactions energy: -94.421
where: short stacking energy: -45.707
Base-Backbone interact. energy: -1.009
local terms energy: -43.991146
where:
bonds (distance) C4'-P energy: -8.136
bonds (distance) P-C4' energy: -10.859
flat angles C4'-P-C4' energy: -9.649
flat angles P-C4'-P energy: -7.114
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: 3, replica: 10
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -137.189922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.189922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.189922 (E_RNA)
where:
Base-Base interactions energy: -92.556
where: short stacking energy: -41.710
Base-Backbone interact. energy: -0.512
local terms energy: -44.122512
where:
bonds (distance) C4'-P energy: -9.175
bonds (distance) P-C4' energy: -9.834
flat angles C4'-P-C4' energy: -8.984
flat angles P-C4'-P energy: -5.398
tors. eta vs tors. theta energy: -10.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -128.174833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.174833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.174833 (E_RNA)
where:
Base-Base interactions energy: -84.169
where: short stacking energy: -38.685
Base-Backbone interact. energy: -0.035
local terms energy: -43.970831
where:
bonds (distance) C4'-P energy: -7.843
bonds (distance) P-C4' energy: -9.837
flat angles C4'-P-C4' energy: -10.970
flat angles P-C4'-P energy: -8.058
tors. eta vs tors. theta energy: -7.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -126.927390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.927390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.927390 (E_RNA)
where:
Base-Base interactions energy: -91.752
where: short stacking energy: -41.853
Base-Backbone interact. energy: -0.585
local terms energy: -34.590170
where:
bonds (distance) C4'-P energy: -8.240
bonds (distance) P-C4' energy: -6.423
flat angles C4'-P-C4' energy: -8.625
flat angles P-C4'-P energy: -3.068
tors. eta vs tors. theta energy: -8.234
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: 274
Temperature: 1.150000
Total energy: -129.678648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.678648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.678648 (E_RNA)
where:
Base-Base interactions energy: -95.241
where: short stacking energy: -41.817
Base-Backbone interact. energy: -0.077
local terms energy: -34.360749
where:
bonds (distance) C4'-P energy: -3.739
bonds (distance) P-C4' energy: -10.023
flat angles C4'-P-C4' energy: -9.062
flat angles P-C4'-P energy: -2.807
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: 7, replica: 3
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -128.477062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.477062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.477062 (E_RNA)
where:
Base-Base interactions energy: -88.088
where: short stacking energy: -41.982
Base-Backbone interact. energy: -0.264
local terms energy: -40.124401
where:
bonds (distance) C4'-P energy: -6.802
bonds (distance) P-C4' energy: -9.774
flat angles C4'-P-C4' energy: -9.978
flat angles P-C4'-P energy: -5.981
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: 8, replica: 2
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -62.516941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.516941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.516941 (E_RNA)
where:
Base-Base interactions energy: -28.785
where: short stacking energy: -28.785
Base-Backbone interact. energy: -0.147
local terms energy: -33.585420
where:
bonds (distance) C4'-P energy: -6.924
bonds (distance) P-C4' energy: -10.129
flat angles C4'-P-C4' energy: -6.671
flat angles P-C4'-P energy: -7.437
tors. eta vs tors. theta energy: -2.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -61.816773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.816773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.816773 (E_RNA)
where:
Base-Base interactions energy: -25.403
where: short stacking energy: -25.403
Base-Backbone interact. energy: -0.037
local terms energy: -36.377129
where:
bonds (distance) C4'-P energy: -7.362
bonds (distance) P-C4' energy: -7.708
flat angles C4'-P-C4' energy: -8.860
flat angles P-C4'-P energy: -7.014
tors. eta vs tors. theta energy: -5.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -54.200667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.200667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.200667 (E_RNA)
where:
Base-Base interactions energy: -21.446
where: short stacking energy: -21.446
Base-Backbone interact. energy: -0.044
local terms energy: -32.710762
where:
bonds (distance) C4'-P energy: -9.581
bonds (distance) P-C4' energy: -8.635
flat angles C4'-P-C4' energy: -6.811
flat angles P-C4'-P energy: -6.458
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: 275
Temperature: 0.900000
Total energy: -149.952497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.952497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.952497 (E_RNA)
where:
Base-Base interactions energy: -112.343
where: short stacking energy: -44.359
Base-Backbone interact. energy: -0.007
local terms energy: -37.602957
where:
bonds (distance) C4'-P energy: -9.830
bonds (distance) P-C4' energy: -8.411
flat angles C4'-P-C4' energy: -7.912
flat angles P-C4'-P energy: -2.752
tors. eta vs tors. theta energy: -8.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -138.056110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.056110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.056110 (E_RNA)
where:
Base-Base interactions energy: -94.697
where: short stacking energy: -40.107
Base-Backbone interact. energy: -0.084
local terms energy: -43.275704
where:
bonds (distance) C4'-P energy: -7.151
bonds (distance) P-C4' energy: -11.128
flat angles C4'-P-C4' energy: -10.637
flat angles P-C4'-P energy: -6.809
tors. eta vs tors. theta energy: -7.551
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: 3, replica: 10
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -143.699870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.699870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.699870 (E_RNA)
where:
Base-Base interactions energy: -103.294
where: short stacking energy: -45.871
Base-Backbone interact. energy: -0.025
local terms energy: -40.381568
where:
bonds (distance) C4'-P energy: -7.378
bonds (distance) P-C4' energy: -10.404
flat angles C4'-P-C4' energy: -6.117
flat angles P-C4'-P energy: -5.841
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: 4, replica: 5
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -137.602644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.602644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.602644 (E_RNA)
where:
Base-Base interactions energy: -93.118
where: short stacking energy: -44.493
Base-Backbone interact. energy: -1.171
local terms energy: -43.313998
where:
bonds (distance) C4'-P energy: -7.576
bonds (distance) P-C4' energy: -9.954
flat angles C4'-P-C4' energy: -9.614
flat angles P-C4'-P energy: -6.687
tors. eta vs tors. theta energy: -9.483
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: 5, replica: 9
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -137.224948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.224948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.224948 (E_RNA)
where:
Base-Base interactions energy: -91.941
where: short stacking energy: -41.047
Base-Backbone interact. energy: -1.173
local terms energy: -44.110720
where:
bonds (distance) C4'-P energy: -9.991
bonds (distance) P-C4' energy: -7.554
flat angles C4'-P-C4' energy: -8.367
flat angles P-C4'-P energy: -7.325
tors. eta vs tors. theta energy: -10.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -133.951823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.951823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.951823 (E_RNA)
where:
Base-Base interactions energy: -91.907
where: short stacking energy: -42.125
Base-Backbone interact. energy: -0.004
local terms energy: -42.041072
where:
bonds (distance) C4'-P energy: -8.856
bonds (distance) P-C4' energy: -10.616
flat angles C4'-P-C4' energy: -9.229
flat angles P-C4'-P energy: -5.320
tors. eta vs tors. theta energy: -8.021
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: 8
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -126.439533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.439533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.439533 (E_RNA)
where:
Base-Base interactions energy: -87.112
where: short stacking energy: -41.084
Base-Backbone interact. energy: -1.941
local terms energy: -37.386509
where:
bonds (distance) C4'-P energy: -7.183
bonds (distance) P-C4' energy: -10.115
flat angles C4'-P-C4' energy: -7.970
flat angles P-C4'-P energy: -4.178
tors. eta vs tors. theta energy: -7.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -69.241956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.241956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.241956 (E_RNA)
where:
Base-Base interactions energy: -32.457
where: short stacking energy: -26.550
Base-Backbone interact. energy: 0.171
local terms energy: -36.955892
where:
bonds (distance) C4'-P energy: -7.564
bonds (distance) P-C4' energy: -9.671
flat angles C4'-P-C4' energy: -7.523
flat angles P-C4'-P energy: -8.064
tors. eta vs tors. theta energy: -4.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -62.586533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.586533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.586533 (E_RNA)
where:
Base-Base interactions energy: -27.024
where: short stacking energy: -24.559
Base-Backbone interact. energy: -0.008
local terms energy: -35.555160
where:
bonds (distance) C4'-P energy: -10.293
bonds (distance) P-C4' energy: -10.684
flat angles C4'-P-C4' energy: -5.638
flat angles P-C4'-P energy: -2.545
tors. eta vs tors. theta energy: -6.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -56.757241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.757241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.757241 (E_RNA)
where:
Base-Base interactions energy: -25.765
where: short stacking energy: -25.765
Base-Backbone interact. energy: -0.135
local terms energy: -30.856998
where:
bonds (distance) C4'-P energy: -6.041
bonds (distance) P-C4' energy: -8.591
flat angles C4'-P-C4' energy: -6.561
flat angles P-C4'-P energy: -6.147
tors. eta vs tors. theta energy: -3.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -143.682713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.682713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.682713 (E_RNA)
where:
Base-Base interactions energy: -96.764
where: short stacking energy: -45.879
Base-Backbone interact. energy: -1.118
local terms energy: -45.800634
where:
bonds (distance) C4'-P energy: -7.994
bonds (distance) P-C4' energy: -9.732
flat angles C4'-P-C4' energy: -9.702
flat angles P-C4'-P energy: -7.551
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: 2, replica: 4
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -148.901219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.901219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.901219 (E_RNA)
where:
Base-Base interactions energy: -107.805
where: short stacking energy: -43.510
Base-Backbone interact. energy: -0.241
local terms energy: -40.854785
where:
bonds (distance) C4'-P energy: -9.067
bonds (distance) P-C4' energy: -7.653
flat angles C4'-P-C4' energy: -10.027
flat angles P-C4'-P energy: -4.838
tors. eta vs tors. theta energy: -9.269
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: 276
Temperature: 1.000000
Total energy: -139.140844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.140844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.140844 (E_RNA)
where:
Base-Base interactions energy: -93.191
where: short stacking energy: -39.008
Base-Backbone interact. energy: -1.343
local terms energy: -44.606905
where:
bonds (distance) C4'-P energy: -9.324
bonds (distance) P-C4' energy: -9.289
flat angles C4'-P-C4' energy: -10.108
flat angles P-C4'-P energy: -7.752
tors. eta vs tors. theta energy: -8.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -135.669734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.669734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.669734 (E_RNA)
where:
Base-Base interactions energy: -92.481
where: short stacking energy: -42.649
Base-Backbone interact. energy: -0.749
local terms energy: -42.439837
where:
bonds (distance) C4'-P energy: -7.375
bonds (distance) P-C4' energy: -11.124
flat angles C4'-P-C4' energy: -7.034
flat angles P-C4'-P energy: -8.171
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: 5, replica: 3
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -139.185482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.185482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.185482 (E_RNA)
where:
Base-Base interactions energy: -104.071
where: short stacking energy: -40.305
Base-Backbone interact. energy: -0.006
local terms energy: -35.108943
where:
bonds (distance) C4'-P energy: -9.278
bonds (distance) P-C4' energy: -6.365
flat angles C4'-P-C4' energy: -9.159
flat angles P-C4'-P energy: -0.430
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: 9
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -135.002192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.002192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.002192 (E_RNA)
where:
Base-Base interactions energy: -94.070
where: short stacking energy: -45.210
Base-Backbone interact. energy: 0.041
local terms energy: -40.972850
where:
bonds (distance) C4'-P energy: -7.558
bonds (distance) P-C4' energy: -9.771
flat angles C4'-P-C4' energy: -9.175
flat angles P-C4'-P energy: -5.972
tors. eta vs tors. theta energy: -8.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -130.723064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.723064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.723064 (E_RNA)
where:
Base-Base interactions energy: -92.110
where: short stacking energy: -40.467
Base-Backbone interact. energy: -0.758
local terms energy: -37.854856
where:
bonds (distance) C4'-P energy: -8.331
bonds (distance) P-C4' energy: -7.875
flat angles C4'-P-C4' energy: -9.691
flat angles P-C4'-P energy: -1.778
tors. eta vs tors. theta energy: -10.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -68.392434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.392434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.392434 (E_RNA)
where:
Base-Base interactions energy: -34.576
where: short stacking energy: -34.576
Base-Backbone interact. energy: -0.000
local terms energy: -33.816415
where:
bonds (distance) C4'-P energy: -7.006
bonds (distance) P-C4' energy: -8.538
flat angles C4'-P-C4' energy: -7.600
flat angles P-C4'-P energy: -5.024
tors. eta vs tors. theta energy: -5.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -59.427984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.427984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.427984 (E_RNA)
where:
Base-Base interactions energy: -24.538
where: short stacking energy: -24.538
Base-Backbone interact. energy: 0.670
local terms energy: -35.560069
where:
bonds (distance) C4'-P energy: -9.655
bonds (distance) P-C4' energy: -7.594
flat angles C4'-P-C4' energy: -9.009
flat angles P-C4'-P energy: -7.157
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: 10, replica: 7
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -56.160680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.160680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.160680 (E_RNA)
where:
Base-Base interactions energy: -24.970
where: short stacking energy: -21.092
Base-Backbone interact. energy: -0.140
local terms energy: -31.050947
where:
bonds (distance) C4'-P energy: -5.010
bonds (distance) P-C4' energy: -9.570
flat angles C4'-P-C4' energy: -8.078
flat angles P-C4'-P energy: -5.241
tors. eta vs tors. theta energy: -3.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -141.014194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.014194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.014194 (E_RNA)
where:
Base-Base interactions energy: -94.273
where: short stacking energy: -45.862
Base-Backbone interact. energy: -0.071
local terms energy: -46.670454
where:
bonds (distance) C4'-P energy: -10.657
bonds (distance) P-C4' energy: -10.616
flat angles C4'-P-C4' energy: -8.596
flat angles P-C4'-P energy: -6.570
tors. eta vs tors. theta energy: -10.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -149.086934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.086934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.086934 (E_RNA)
where:
Base-Base interactions energy: -110.564
where: short stacking energy: -45.506
Base-Backbone interact. energy: -0.011
local terms energy: -38.512370
where:
bonds (distance) C4'-P energy: -9.441
bonds (distance) P-C4' energy: -8.531
flat angles C4'-P-C4' energy: -7.887
flat angles P-C4'-P energy: -2.257
tors. eta vs tors. theta energy: -10.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -140.791468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.791468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.791468 (E_RNA)
where:
Base-Base interactions energy: -94.933
where: short stacking energy: -45.526
Base-Backbone interact. energy: -0.002
local terms energy: -45.856799
where:
bonds (distance) C4'-P energy: -10.524
bonds (distance) P-C4' energy: -10.165
flat angles C4'-P-C4' energy: -7.697
flat angles P-C4'-P energy: -8.276
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: 4, replica: 3
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -144.279147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.279147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.279147 (E_RNA)
where:
Base-Base interactions energy: -103.343
where: short stacking energy: -40.234
Base-Backbone interact. energy: -0.002
local terms energy: -40.934182
where:
bonds (distance) C4'-P energy: -9.415
bonds (distance) P-C4' energy: -11.134
flat angles C4'-P-C4' energy: -8.118
flat angles P-C4'-P energy: -2.957
tors. eta vs tors. theta energy: -9.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -138.863438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.863438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.863438 (E_RNA)
where:
Base-Base interactions energy: -93.207
where: short stacking energy: -42.833
Base-Backbone interact. energy: -0.022
local terms energy: -45.634190
where:
bonds (distance) C4'-P energy: -9.779
bonds (distance) P-C4' energy: -9.882
flat angles C4'-P-C4' energy: -9.125
flat angles P-C4'-P energy: -5.198
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: 8
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -124.974566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.974566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.974566 (E_RNA)
where:
Base-Base interactions energy: -89.670
where: short stacking energy: -34.923
Base-Backbone interact. energy: -0.001
local terms energy: -35.303215
where:
bonds (distance) C4'-P energy: -8.136
bonds (distance) P-C4' energy: -7.643
flat angles C4'-P-C4' energy: -7.437
flat angles P-C4'-P energy: -0.388
tors. eta vs tors. theta energy: -11.699
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: 7, replica: 9
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -123.563627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.563627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.563627 (E_RNA)
where:
Base-Base interactions energy: -85.937
where: short stacking energy: -39.304
Base-Backbone interact. energy: -0.911
local terms energy: -36.715356
where:
bonds (distance) C4'-P energy: -7.167
bonds (distance) P-C4' energy: -9.054
flat angles C4'-P-C4' energy: -7.351
flat angles P-C4'-P energy: -3.068
tors. eta vs tors. theta energy: -10.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -70.847499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.847499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.847499 (E_RNA)
where:
Base-Base interactions energy: -34.808
where: short stacking energy: -34.808
Base-Backbone interact. energy: -0.013
local terms energy: -36.025895
where:
bonds (distance) C4'-P energy: -8.099
bonds (distance) P-C4' energy: -5.949
flat angles C4'-P-C4' energy: -9.523
flat angles P-C4'-P energy: -5.350
tors. eta vs tors. theta energy: -7.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -64.762289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.762289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.762289 (E_RNA)
where:
Base-Base interactions energy: -31.464
where: short stacking energy: -30.036
Base-Backbone interact. energy: -0.104
local terms energy: -33.194184
where:
bonds (distance) C4'-P energy: -5.356
bonds (distance) P-C4' energy: -9.285
flat angles C4'-P-C4' energy: -7.962
flat angles P-C4'-P energy: -5.854
tors. eta vs tors. theta energy: -4.737
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: 7
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -55.549018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.549018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.549018 (E_RNA)
where:
Base-Base interactions energy: -26.099
where: short stacking energy: -26.099
Base-Backbone interact. energy: -0.091
local terms energy: -29.359337
where:
bonds (distance) C4'-P energy: -5.595
bonds (distance) P-C4' energy: -9.545
flat angles C4'-P-C4' energy: -4.282
flat angles P-C4'-P energy: -6.989
tors. eta vs tors. theta energy: -2.948
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: 1
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -147.949145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.949145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.949145 (E_RNA)
where:
Base-Base interactions energy: -107.754
where: short stacking energy: -43.439
Base-Backbone interact. energy: -0.695
local terms energy: -39.499554
where:
bonds (distance) C4'-P energy: -8.704
bonds (distance) P-C4' energy: -8.566
flat angles C4'-P-C4' energy: -9.290
flat angles P-C4'-P energy: -3.633
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: 2, replica: 4
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -147.279760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.279760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.279760 (E_RNA)
where:
Base-Base interactions energy: -109.219
where: short stacking energy: -41.365
Base-Backbone interact. energy: -0.652
local terms energy: -37.409104
where:
bonds (distance) C4'-P energy: -8.492
bonds (distance) P-C4' energy: -8.548
flat angles C4'-P-C4' energy: -9.904
flat angles P-C4'-P energy: -2.780
tors. eta vs tors. theta energy: -7.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -136.535368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.535368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.535368 (E_RNA)
where:
Base-Base interactions energy: -92.870
where: short stacking energy: -42.816
Base-Backbone interact. energy: -0.873
local terms energy: -42.792454
where:
bonds (distance) C4'-P energy: -5.304
bonds (distance) P-C4' energy: -10.215
flat angles C4'-P-C4' energy: -9.191
flat angles P-C4'-P energy: -7.003
tors. eta vs tors. theta energy: -11.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -133.614304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.614304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.614304 (E_RNA)
where:
Base-Base interactions energy: -92.236
where: short stacking energy: -43.572
Base-Backbone interact. energy: -0.027
local terms energy: -41.351490
where:
bonds (distance) C4'-P energy: -9.867
bonds (distance) P-C4' energy: -9.656
flat angles C4'-P-C4' energy: -7.042
flat angles P-C4'-P energy: -6.837
tors. eta vs tors. theta energy: -7.949
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: 8
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -137.586218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.586218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.586218 (E_RNA)
where:
Base-Base interactions energy: -94.719
where: short stacking energy: -44.435
Base-Backbone interact. energy: -1.459
local terms energy: -41.408020
where:
bonds (distance) C4'-P energy: -8.584
bonds (distance) P-C4' energy: -9.524
flat angles C4'-P-C4' energy: -8.406
flat angles P-C4'-P energy: -6.460
tors. eta vs tors. theta energy: -8.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -127.594041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.594041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.594041 (E_RNA)
where:
Base-Base interactions energy: -85.751
where: short stacking energy: -36.821
Base-Backbone interact. energy: -0.095
local terms energy: -41.748160
where:
bonds (distance) C4'-P energy: -8.009
bonds (distance) P-C4' energy: -9.957
flat angles C4'-P-C4' energy: -7.722
flat angles P-C4'-P energy: -5.907
tors. eta vs tors. theta energy: -10.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -128.848226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.848226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.848226 (E_RNA)
where:
Base-Base interactions energy: -88.053
where: short stacking energy: -40.037
Base-Backbone interact. energy: -0.026
local terms energy: -40.768483
where:
bonds (distance) C4'-P energy: -9.643
bonds (distance) P-C4' energy: -9.091
flat angles C4'-P-C4' energy: -6.048
flat angles P-C4'-P energy: -7.034
tors. eta vs tors. theta energy: -8.952
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: 8, replica: 6
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -59.131477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.131477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.131477 (E_RNA)
where:
Base-Base interactions energy: -26.796
where: short stacking energy: -26.796
Base-Backbone interact. energy: -0.012
local terms energy: -32.324073
where:
bonds (distance) C4'-P energy: -7.795
bonds (distance) P-C4' energy: -3.680
flat angles C4'-P-C4' energy: -10.830
flat angles P-C4'-P energy: -4.939
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: 9, replica: 7
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -59.502155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.502155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.502155 (E_RNA)
where:
Base-Base interactions energy: -24.666
where: short stacking energy: -16.959
Base-Backbone interact. energy: -0.186
local terms energy: -34.649769
where:
bonds (distance) C4'-P energy: -10.215
bonds (distance) P-C4' energy: -11.106
flat angles C4'-P-C4' energy: -6.562
flat angles P-C4'-P energy: -5.472
tors. eta vs tors. theta energy: -1.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -60.413940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.413940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.413940 (E_RNA)
where:
Base-Base interactions energy: -23.710
where: short stacking energy: -14.415
Base-Backbone interact. energy: -0.580
local terms energy: -36.123643
where:
bonds (distance) C4'-P energy: -10.338
bonds (distance) P-C4' energy: -10.419
flat angles C4'-P-C4' energy: -7.770
flat angles P-C4'-P energy: -5.579
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: 1, replica: 1
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -143.556388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.556388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.556388 (E_RNA)
where:
Base-Base interactions energy: -96.432
where: short stacking energy: -44.946
Base-Backbone interact. energy: -0.292
local terms energy: -46.832545
where:
bonds (distance) C4'-P energy: -10.471
bonds (distance) P-C4' energy: -10.634
flat angles C4'-P-C4' energy: -9.484
flat angles P-C4'-P energy: -5.910
tors. eta vs tors. theta energy: -10.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -138.664579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.664579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.664579 (E_RNA)
where:
Base-Base interactions energy: -99.139
where: short stacking energy: -47.234
Base-Backbone interact. energy: -0.261
local terms energy: -39.264456
where:
bonds (distance) C4'-P energy: -7.586
bonds (distance) P-C4' energy: -10.183
flat angles C4'-P-C4' energy: -8.387
flat angles P-C4'-P energy: -3.497
tors. eta vs tors. theta energy: -9.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -148.104664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.104664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.104664 (E_RNA)
where:
Base-Base interactions energy: -108.550
where: short stacking energy: -42.050
Base-Backbone interact. energy: -0.009
local terms energy: -39.545803
where:
bonds (distance) C4'-P energy: -8.269
bonds (distance) P-C4' energy: -9.817
flat angles C4'-P-C4' energy: -6.472
flat angles P-C4'-P energy: -6.330
tors. eta vs tors. theta energy: -8.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -134.781406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.781406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.781406 (E_RNA)
where:
Base-Base interactions energy: -96.266
where: short stacking energy: -43.767
Base-Backbone interact. energy: 2.570
local terms energy: -41.085650
where:
bonds (distance) C4'-P energy: -8.397
bonds (distance) P-C4' energy: -7.364
flat angles C4'-P-C4' energy: -8.311
flat angles P-C4'-P energy: -7.694
tors. eta vs tors. theta energy: -9.320
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: 5, replica: 3
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -135.480657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.480657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.480657 (E_RNA)
where:
Base-Base interactions energy: -92.036
where: short stacking energy: -41.580
Base-Backbone interact. energy: -0.479
local terms energy: -42.965624
where:
bonds (distance) C4'-P energy: -9.805
bonds (distance) P-C4' energy: -8.495
flat angles C4'-P-C4' energy: -9.196
flat angles P-C4'-P energy: -5.847
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: 6, replica: 9
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -133.029604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.029604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.029604 (E_RNA)
where:
Base-Base interactions energy: -86.821
where: short stacking energy: -37.851
Base-Backbone interact. energy: -1.842
local terms energy: -44.366925
where:
bonds (distance) C4'-P energy: -8.683
bonds (distance) P-C4' energy: -9.388
flat angles C4'-P-C4' energy: -10.127
flat angles P-C4'-P energy: -7.948
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: 5
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -129.208142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.208142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.208142 (E_RNA)
where:
Base-Base interactions energy: -89.745
where: short stacking energy: -42.557
Base-Backbone interact. energy: -0.344
local terms energy: -39.118877
where:
bonds (distance) C4'-P energy: -4.890
bonds (distance) P-C4' energy: -9.284
flat angles C4'-P-C4' energy: -9.401
flat angles P-C4'-P energy: -6.925
tors. eta vs tors. theta energy: -8.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -71.688593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.688593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.688593 (E_RNA)
where:
Base-Base interactions energy: -41.579
where: short stacking energy: -32.964
Base-Backbone interact. energy: -0.001
local terms energy: -30.108211
where:
bonds (distance) C4'-P energy: -5.599
bonds (distance) P-C4' energy: -7.777
flat angles C4'-P-C4' energy: -3.668
flat angles P-C4'-P energy: -5.853
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: 9, replica: 7
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -65.491734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.491734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.491734 (E_RNA)
where:
Base-Base interactions energy: -32.985
where: short stacking energy: -32.985
Base-Backbone interact. energy: -0.002
local terms energy: -32.505138
where:
bonds (distance) C4'-P energy: -7.685
bonds (distance) P-C4' energy: -7.511
flat angles C4'-P-C4' energy: -6.014
flat angles P-C4'-P energy: -4.591
tors. eta vs tors. theta energy: -6.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -56.609341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.609341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.609341 (E_RNA)
where:
Base-Base interactions energy: -26.774
where: short stacking energy: -15.258
Base-Backbone interact. energy: -0.028
local terms energy: -29.806934
where:
bonds (distance) C4'-P energy: -7.932
bonds (distance) P-C4' energy: -10.444
flat angles C4'-P-C4' energy: -6.126
flat angles P-C4'-P energy: -5.093
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: 1
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -141.693123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.693123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.693123 (E_RNA)
where:
Base-Base interactions energy: -96.155
where: short stacking energy: -45.493
Base-Backbone interact. energy: -0.891
local terms energy: -44.646483
where:
bonds (distance) C4'-P energy: -7.975
bonds (distance) P-C4' energy: -9.144
flat angles C4'-P-C4' energy: -8.763
flat angles P-C4'-P energy: -8.001
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: 2, replica: 10
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -141.882078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.882078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.882078 (E_RNA)
where:
Base-Base interactions energy: -95.417
where: short stacking energy: -43.157
Base-Backbone interact. energy: -0.003
local terms energy: -46.461967
where:
bonds (distance) C4'-P energy: -9.076
bonds (distance) P-C4' energy: -10.649
flat angles C4'-P-C4' energy: -10.181
flat angles P-C4'-P energy: -5.784
tors. eta vs tors. theta energy: -10.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -135.801026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.801026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.801026 (E_RNA)
where:
Base-Base interactions energy: -93.107
where: short stacking energy: -42.841
Base-Backbone interact. energy: 0.534
local terms energy: -43.227404
where:
bonds (distance) C4'-P energy: -7.668
bonds (distance) P-C4' energy: -9.985
flat angles C4'-P-C4' energy: -8.981
flat angles P-C4'-P energy: -6.745
tors. eta vs tors. theta energy: -9.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -135.024942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.024942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.024942 (E_RNA)
where:
Base-Base interactions energy: -90.698
where: short stacking energy: -41.848
Base-Backbone interact. energy: -0.982
local terms energy: -43.344319
where:
bonds (distance) C4'-P energy: -6.501
bonds (distance) P-C4' energy: -10.880
flat angles C4'-P-C4' energy: -9.797
flat angles P-C4'-P energy: -7.115
tors. eta vs tors. theta energy: -9.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -133.094707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.094707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.094707 (E_RNA)
where:
Base-Base interactions energy: -91.086
where: short stacking energy: -43.928
Base-Backbone interact. energy: -1.912
local terms energy: -40.096632
where:
bonds (distance) C4'-P energy: -8.223
bonds (distance) P-C4' energy: -7.663
flat angles C4'-P-C4' energy: -9.970
flat angles P-C4'-P energy: -4.805
tors. eta vs tors. theta energy: -9.436
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: 3
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -130.537461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.537461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.537461 (E_RNA)
where:
Base-Base interactions energy: -85.505
where: short stacking energy: -40.787
Base-Backbone interact. energy: -1.138
local terms energy: -43.893885
where:
bonds (distance) C4'-P energy: -7.897
bonds (distance) P-C4' energy: -9.253
flat angles C4'-P-C4' energy: -8.177
flat angles P-C4'-P energy: -6.540
tors. eta vs tors. theta energy: -12.027
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: 5
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -129.800624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.800624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.800624 (E_RNA)
where:
Base-Base interactions energy: -90.974
where: short stacking energy: -39.528
Base-Backbone interact. energy: -0.095
local terms energy: -38.731325
where:
bonds (distance) C4'-P energy: -7.921
bonds (distance) P-C4' energy: -10.444
flat angles C4'-P-C4' energy: -4.710
flat angles P-C4'-P energy: -5.523
tors. eta vs tors. theta energy: -10.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -57.476007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.476007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.476007 (E_RNA)
where:
Base-Base interactions energy: -26.737
where: short stacking energy: -25.485
Base-Backbone interact. energy: -0.050
local terms energy: -30.689190
where:
bonds (distance) C4'-P energy: -7.283
bonds (distance) P-C4' energy: -9.616
flat angles C4'-P-C4' energy: -7.841
flat angles P-C4'-P energy: -4.439
tors. eta vs tors. theta energy: -1.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -67.041482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.041482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.041482 (E_RNA)
where:
Base-Base interactions energy: -28.184
where: short stacking energy: -28.184
Base-Backbone interact. energy: -0.000
local terms energy: -38.857154
where:
bonds (distance) C4'-P energy: -10.533
bonds (distance) P-C4' energy: -6.371
flat angles C4'-P-C4' energy: -9.045
flat angles P-C4'-P energy: -6.509
tors. eta vs tors. theta energy: -6.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -64.222140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.222140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.222140 (E_RNA)
where:
Base-Base interactions energy: -33.358
where: short stacking energy: -30.193
Base-Backbone interact. energy: -0.031
local terms energy: -30.833267
where:
bonds (distance) C4'-P energy: -6.911
bonds (distance) P-C4' energy: -5.768
flat angles C4'-P-C4' energy: -8.871
flat angles P-C4'-P energy: -3.283
tors. eta vs tors. theta energy: -6.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -142.226545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.226545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.226545 (E_RNA)
where:
Base-Base interactions energy: -103.473
where: short stacking energy: -41.932
Base-Backbone interact. energy: -0.004
local terms energy: -38.749278
where:
bonds (distance) C4'-P energy: -9.635
bonds (distance) P-C4' energy: -10.423
flat angles C4'-P-C4' energy: -7.623
flat angles P-C4'-P energy: -0.959
tors. eta vs tors. theta energy: -10.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -147.036612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.036612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.036612 (E_RNA)
where:
Base-Base interactions energy: -109.045
where: short stacking energy: -42.165
Base-Backbone interact. energy: -0.086
local terms energy: -37.905000
where:
bonds (distance) C4'-P energy: -8.153
bonds (distance) P-C4' energy: -9.761
flat angles C4'-P-C4' energy: -3.500
flat angles P-C4'-P energy: -6.106
tors. eta vs tors. theta energy: -10.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -135.314079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.314079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.314079 (E_RNA)
where:
Base-Base interactions energy: -88.500
where: short stacking energy: -37.496
Base-Backbone interact. energy: -0.896
local terms energy: -45.917830
where:
bonds (distance) C4'-P energy: -8.410
bonds (distance) P-C4' energy: -10.448
flat angles C4'-P-C4' energy: -8.998
flat angles P-C4'-P energy: -8.071
tors. eta vs tors. theta energy: -9.990
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: 4
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -139.000250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.000250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.000250 (E_RNA)
where:
Base-Base interactions energy: -93.058
where: short stacking energy: -42.989
Base-Backbone interact. energy: -1.125
local terms energy: -44.817512
where:
bonds (distance) C4'-P energy: -10.019
bonds (distance) P-C4' energy: -10.588
flat angles C4'-P-C4' energy: -8.285
flat angles P-C4'-P energy: -6.428
tors. eta vs tors. theta energy: -9.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -132.458300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.458300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.458300 (E_RNA)
where:
Base-Base interactions energy: -88.558
where: short stacking energy: -39.575
Base-Backbone interact. energy: -1.147
local terms energy: -42.752992
where:
bonds (distance) C4'-P energy: -8.454
bonds (distance) P-C4' energy: -10.665
flat angles C4'-P-C4' energy: -9.367
flat angles P-C4'-P energy: -7.069
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: 5
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -135.464588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.464588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.464588 (E_RNA)
where:
Base-Base interactions energy: -94.041
where: short stacking energy: -45.499
Base-Backbone interact. energy: -2.039
local terms energy: -39.384761
where:
bonds (distance) C4'-P energy: -7.821
bonds (distance) P-C4' energy: -9.345
flat angles C4'-P-C4' energy: -7.618
flat angles P-C4'-P energy: -6.708
tors. eta vs tors. theta energy: -7.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -127.028058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.028058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.028058 (E_RNA)
where:
Base-Base interactions energy: -82.491
where: short stacking energy: -37.076
Base-Backbone interact. energy: -1.645
local terms energy: -42.891655
where:
bonds (distance) C4'-P energy: -8.570
bonds (distance) P-C4' energy: -8.841
flat angles C4'-P-C4' energy: -9.024
flat angles P-C4'-P energy: -9.364
tors. eta vs tors. theta energy: -7.093
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: 7
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -61.578748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.578748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.578748 (E_RNA)
where:
Base-Base interactions energy: -23.880
where: short stacking energy: -23.880
Base-Backbone interact. energy: -0.110
local terms energy: -37.588410
where:
bonds (distance) C4'-P energy: -9.139
bonds (distance) P-C4' energy: -10.451
flat angles C4'-P-C4' energy: -6.213
flat angles P-C4'-P energy: -6.816
tors. eta vs tors. theta energy: -4.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -62.003053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.003053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.003053 (E_RNA)
where:
Base-Base interactions energy: -28.276
where: short stacking energy: -27.964
Base-Backbone interact. energy: -0.074
local terms energy: -33.652458
where:
bonds (distance) C4'-P energy: -9.812
bonds (distance) P-C4' energy: -7.120
flat angles C4'-P-C4' energy: -9.777
flat angles P-C4'-P energy: -3.255
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: 10, replica: 2
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -56.102141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.102141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.102141 (E_RNA)
where:
Base-Base interactions energy: -24.572
where: short stacking energy: -24.572
Base-Backbone interact. energy: -0.015
local terms energy: -31.515099
where:
bonds (distance) C4'-P energy: -10.053
bonds (distance) P-C4' energy: -7.727
flat angles C4'-P-C4' energy: -7.036
flat angles P-C4'-P energy: -3.560
tors. eta vs tors. theta energy: -3.139
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: 8
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -149.193955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.193955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.193955 (E_RNA)
where:
Base-Base interactions energy: -107.414
where: short stacking energy: -39.869
Base-Backbone interact. energy: -0.623
local terms energy: -41.156792
where:
bonds (distance) C4'-P energy: -10.570
bonds (distance) P-C4' energy: -10.873
flat angles C4'-P-C4' energy: -9.620
flat angles P-C4'-P energy: -1.856
tors. eta vs tors. theta energy: -8.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -140.320728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.320728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.320728 (E_RNA)
where:
Base-Base interactions energy: -97.587
where: short stacking energy: -42.969
Base-Backbone interact. energy: -0.593
local terms energy: -42.140990
where:
bonds (distance) C4'-P energy: -8.323
bonds (distance) P-C4' energy: -8.653
flat angles C4'-P-C4' energy: -9.784
flat angles P-C4'-P energy: -5.955
tors. eta vs tors. theta energy: -9.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -134.716401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.716401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.716401 (E_RNA)
where:
Base-Base interactions energy: -92.922
where: short stacking energy: -41.707
Base-Backbone interact. energy: -0.008
local terms energy: -41.786570
where:
bonds (distance) C4'-P energy: -7.955
bonds (distance) P-C4' energy: -9.359
flat angles C4'-P-C4' energy: -10.095
flat angles P-C4'-P energy: -5.502
tors. eta vs tors. theta energy: -8.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -132.369299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.369299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.369299 (E_RNA)
where:
Base-Base interactions energy: -91.174
where: short stacking energy: -41.863
Base-Backbone interact. energy: -0.339
local terms energy: -40.856656
where:
bonds (distance) C4'-P energy: -7.015
bonds (distance) P-C4' energy: -9.563
flat angles C4'-P-C4' energy: -9.844
flat angles P-C4'-P energy: -6.107
tors. eta vs tors. theta energy: -8.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -136.951700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.951700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.951700 (E_RNA)
where:
Base-Base interactions energy: -91.142
where: short stacking energy: -39.721
Base-Backbone interact. energy: -0.747
local terms energy: -45.062902
where:
bonds (distance) C4'-P energy: -10.107
bonds (distance) P-C4' energy: -9.140
flat angles C4'-P-C4' energy: -8.773
flat angles P-C4'-P energy: -6.313
tors. eta vs tors. theta energy: -10.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -128.019521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.019521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.019521 (E_RNA)
where:
Base-Base interactions energy: -83.792
where: short stacking energy: -39.226
Base-Backbone interact. energy: -0.482
local terms energy: -43.745630
where:
bonds (distance) C4'-P energy: -7.548
bonds (distance) P-C4' energy: -9.717
flat angles C4'-P-C4' energy: -10.208
flat angles P-C4'-P energy: -6.284
tors. eta vs tors. theta energy: -9.988
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: 282
Temperature: 1.200000
Total energy: -69.039767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.039767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.039767 (E_RNA)
where:
Base-Base interactions energy: -32.988
where: short stacking energy: -32.988
Base-Backbone interact. energy: -0.025
local terms energy: -36.026981
where:
bonds (distance) C4'-P energy: -5.147
bonds (distance) P-C4' energy: -9.563
flat angles C4'-P-C4' energy: -9.328
flat angles P-C4'-P energy: -5.233
tors. eta vs tors. theta energy: -6.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -130.640505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.640505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.640505 (E_RNA)
where:
Base-Base interactions energy: -90.986
where: short stacking energy: -45.722
Base-Backbone interact. energy: -0.016
local terms energy: -39.638447
where:
bonds (distance) C4'-P energy: -9.067
bonds (distance) P-C4' energy: -10.064
flat angles C4'-P-C4' energy: -6.771
flat angles P-C4'-P energy: -3.243
tors. eta vs tors. theta energy: -10.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -68.423339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.423339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.423339 (E_RNA)
where:
Base-Base interactions energy: -33.507
where: short stacking energy: -31.393
Base-Backbone interact. energy: -0.072
local terms energy: -34.844536
where:
bonds (distance) C4'-P energy: -4.526
bonds (distance) P-C4' energy: -7.390
flat angles C4'-P-C4' energy: -9.137
flat angles P-C4'-P energy: -8.423
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: 6
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -64.629987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.629987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.629987 (E_RNA)
where:
Base-Base interactions energy: -34.848
where: short stacking energy: -30.635
Base-Backbone interact. energy: -0.060
local terms energy: -29.721835
where:
bonds (distance) C4'-P energy: -4.787
bonds (distance) P-C4' energy: -8.040
flat angles C4'-P-C4' energy: -8.410
flat angles P-C4'-P energy: -6.654
tors. eta vs tors. theta energy: -1.831
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: 1, replica: 8
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -152.599051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.599051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.599051 (E_RNA)
where:
Base-Base interactions energy: -112.929
where: short stacking energy: -44.395
Base-Backbone interact. energy: -0.011
local terms energy: -39.659461
where:
bonds (distance) C4'-P energy: -9.572
bonds (distance) P-C4' energy: -9.137
flat angles C4'-P-C4' energy: -8.353
flat angles P-C4'-P energy: -2.383
tors. eta vs tors. theta energy: -10.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -139.993818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.993818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.993818 (E_RNA)
where:
Base-Base interactions energy: -93.515
where: short stacking energy: -43.915
Base-Backbone interact. energy: -1.175
local terms energy: -45.303249
where:
bonds (distance) C4'-P energy: -7.516
bonds (distance) P-C4' energy: -11.590
flat angles C4'-P-C4' energy: -9.533
flat angles P-C4'-P energy: -6.464
tors. eta vs tors. theta energy: -10.201
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: 283
Temperature: 1.000000
Total energy: -136.165872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.165872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.165872 (E_RNA)
where:
Base-Base interactions energy: -92.983
where: short stacking energy: -38.681
Base-Backbone interact. energy: -0.079
local terms energy: -43.104314
where:
bonds (distance) C4'-P energy: -9.975
bonds (distance) P-C4' energy: -9.436
flat angles C4'-P-C4' energy: -7.456
flat angles P-C4'-P energy: -7.411
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: 283
Temperature: 1.050000
Total energy: -139.280650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.280650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.280650 (E_RNA)
where:
Base-Base interactions energy: -96.567
where: short stacking energy: -44.833
Base-Backbone interact. energy: -1.145
local terms energy: -41.568442
where:
bonds (distance) C4'-P energy: -6.124
bonds (distance) P-C4' energy: -10.426
flat angles C4'-P-C4' energy: -7.971
flat angles P-C4'-P energy: -7.380
tors. eta vs tors. theta energy: -9.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -132.675955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.675955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.675955 (E_RNA)
where:
Base-Base interactions energy: -88.869
where: short stacking energy: -37.527
Base-Backbone interact. energy: -0.191
local terms energy: -43.615563
where:
bonds (distance) C4'-P energy: -9.581
bonds (distance) P-C4' energy: -9.550
flat angles C4'-P-C4' energy: -10.193
flat angles P-C4'-P energy: -6.373
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: 6, replica: 9
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -129.204222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.204222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.204222 (E_RNA)
where:
Base-Base interactions energy: -90.766
where: short stacking energy: -38.939
Base-Backbone interact. energy: -0.323
local terms energy: -38.115140
where:
bonds (distance) C4'-P energy: -5.098
bonds (distance) P-C4' energy: -9.658
flat angles C4'-P-C4' energy: -7.793
flat angles P-C4'-P energy: -7.441
tors. eta vs tors. theta energy: -8.125
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: 7
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -80.702834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.702834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.702834 (E_RNA)
where:
Base-Base interactions energy: -47.885
where: short stacking energy: -40.745
Base-Backbone interact. energy: 1.181
local terms energy: -33.998632
where:
bonds (distance) C4'-P energy: -7.875
bonds (distance) P-C4' energy: -5.474
flat angles C4'-P-C4' energy: -7.199
flat angles P-C4'-P energy: -3.533
tors. eta vs tors. theta energy: -9.918
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: 3
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -132.254661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.254661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.254661 (E_RNA)
where:
Base-Base interactions energy: -95.079
where: short stacking energy: -39.179
Base-Backbone interact. energy: -0.002
local terms energy: -37.174041
where:
bonds (distance) C4'-P energy: -4.821
bonds (distance) P-C4' energy: -9.140
flat angles C4'-P-C4' energy: -7.860
flat angles P-C4'-P energy: -8.068
tors. eta vs tors. theta energy: -7.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -65.329228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.329228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.329228 (E_RNA)
where:
Base-Base interactions energy: -34.818
where: short stacking energy: -24.797
Base-Backbone interact. energy: -0.043
local terms energy: -30.468465
where:
bonds (distance) C4'-P energy: -9.717
bonds (distance) P-C4' energy: -8.576
flat angles C4'-P-C4' energy: -6.752
flat angles P-C4'-P energy: -5.267
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: 10, replica: 6
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -56.424337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.424337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.424337 (E_RNA)
where:
Base-Base interactions energy: -34.985
where: short stacking energy: -17.051
Base-Backbone interact. energy: -0.105
local terms energy: -21.333753
where:
bonds (distance) C4'-P energy: -5.354
bonds (distance) P-C4' energy: -8.190
flat angles C4'-P-C4' energy: -6.163
flat angles P-C4'-P energy: -3.049
tors. eta vs tors. theta energy: 1.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -150.090115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.090115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.090115 (E_RNA)
where:
Base-Base interactions energy: -110.951
where: short stacking energy: -46.010
Base-Backbone interact. energy: -0.008
local terms energy: -39.130909
where:
bonds (distance) C4'-P energy: -8.596
bonds (distance) P-C4' energy: -10.429
flat angles C4'-P-C4' energy: -8.626
flat angles P-C4'-P energy: -2.798
tors. eta vs tors. theta energy: -8.682
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: 4
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -142.212551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.212551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.212551 (E_RNA)
where:
Base-Base interactions energy: -97.302
where: short stacking energy: -46.216
Base-Backbone interact. energy: -0.701
local terms energy: -44.209748
where:
bonds (distance) C4'-P energy: -8.144
bonds (distance) P-C4' energy: -9.305
flat angles C4'-P-C4' energy: -9.262
flat angles P-C4'-P energy: -8.164
tors. eta vs tors. theta energy: -9.334
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: 284
Temperature: 1.000000
Total energy: -135.344599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.344599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.344599 (E_RNA)
where:
Base-Base interactions energy: -92.154
where: short stacking energy: -45.449
Base-Backbone interact. energy: -1.303
local terms energy: -41.888370
where:
bonds (distance) C4'-P energy: -8.004
bonds (distance) P-C4' energy: -8.115
flat angles C4'-P-C4' energy: -9.045
flat angles P-C4'-P energy: -6.190
tors. eta vs tors. theta energy: -10.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -136.207294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.207294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.207294 (E_RNA)
where:
Base-Base interactions energy: -94.716
where: short stacking energy: -36.831
Base-Backbone interact. energy: -0.046
local terms energy: -41.444997
where:
bonds (distance) C4'-P energy: -9.159
bonds (distance) P-C4' energy: -8.886
flat angles C4'-P-C4' energy: -9.437
flat angles P-C4'-P energy: -3.868
tors. eta vs tors. theta energy: -10.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -130.630317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.630317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.630317 (E_RNA)
where:
Base-Base interactions energy: -93.463
where: short stacking energy: -42.471
Base-Backbone interact. energy: -0.132
local terms energy: -37.035714
where:
bonds (distance) C4'-P energy: -5.222
bonds (distance) P-C4' energy: -9.721
flat angles C4'-P-C4' energy: -9.773
flat angles P-C4'-P energy: -3.154
tors. eta vs tors. theta energy: -9.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -130.707346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.707346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.707346 (E_RNA)
where:
Base-Base interactions energy: -86.358
where: short stacking energy: -37.250
Base-Backbone interact. energy: 0.432
local terms energy: -44.781749
where:
bonds (distance) C4'-P energy: -7.950
bonds (distance) P-C4' energy: -11.357
flat angles C4'-P-C4' energy: -9.256
flat angles P-C4'-P energy: -7.620
tors. eta vs tors. theta energy: -8.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -119.824188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.824188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.824188 (E_RNA)
where:
Base-Base interactions energy: -81.580
where: short stacking energy: -32.807
Base-Backbone interact. energy: -1.487
local terms energy: -36.757377
where:
bonds (distance) C4'-P energy: -7.801
bonds (distance) P-C4' energy: -7.106
flat angles C4'-P-C4' energy: -9.196
flat angles P-C4'-P energy: -8.508
tors. eta vs tors. theta energy: -4.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -67.265938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.265938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.265938 (E_RNA)
where:
Base-Base interactions energy: -36.275
where: short stacking energy: -24.196
Base-Backbone interact. energy: -0.222
local terms energy: -30.769313
where:
bonds (distance) C4'-P energy: -7.010
bonds (distance) P-C4' energy: -10.165
flat angles C4'-P-C4' energy: -7.104
flat angles P-C4'-P energy: -4.731
tors. eta vs tors. theta energy: -1.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -70.380627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.380627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.380627 (E_RNA)
where:
Base-Base interactions energy: -33.539
where: short stacking energy: -33.539
Base-Backbone interact. energy: -0.105
local terms energy: -36.736984
where:
bonds (distance) C4'-P energy: -5.938
bonds (distance) P-C4' energy: -9.761
flat angles C4'-P-C4' energy: -7.917
flat angles P-C4'-P energy: -7.366
tors. eta vs tors. theta energy: -5.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -58.026294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.026294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.026294 (E_RNA)
where:
Base-Base interactions energy: -24.815
where: short stacking energy: -24.815
Base-Backbone interact. energy: -0.005
local terms energy: -33.205673
where:
bonds (distance) C4'-P energy: -5.409
bonds (distance) P-C4' energy: -10.097
flat angles C4'-P-C4' energy: -8.461
flat angles P-C4'-P energy: -6.632
tors. eta vs tors. theta energy: -2.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -150.743030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.743030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.743030 (E_RNA)
where:
Base-Base interactions energy: -113.520
where: short stacking energy: -45.308
Base-Backbone interact. energy: -0.006
local terms energy: -37.217576
where:
bonds (distance) C4'-P energy: -6.124
bonds (distance) P-C4' energy: -11.106
flat angles C4'-P-C4' energy: -9.817
flat angles P-C4'-P energy: -1.759
tors. eta vs tors. theta energy: -8.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -146.243196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.243196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.243196 (E_RNA)
where:
Base-Base interactions energy: -107.192
where: short stacking energy: -41.817
Base-Backbone interact. energy: -0.043
local terms energy: -39.008408
where:
bonds (distance) C4'-P energy: -7.888
bonds (distance) P-C4' energy: -8.267
flat angles C4'-P-C4' energy: -7.952
flat angles P-C4'-P energy: -4.507
tors. eta vs tors. theta energy: -10.394
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: 4
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -136.487025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.487025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.487025 (E_RNA)
where:
Base-Base interactions energy: -90.340
where: short stacking energy: -41.435
Base-Backbone interact. energy: -0.191
local terms energy: -45.955879
where:
bonds (distance) C4'-P energy: -8.836
bonds (distance) P-C4' energy: -9.982
flat angles C4'-P-C4' energy: -9.455
flat angles P-C4'-P energy: -7.270
tors. eta vs tors. theta energy: -10.413
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: 9
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -135.830563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.830563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.830563 (E_RNA)
where:
Base-Base interactions energy: -94.609
where: short stacking energy: -45.222
Base-Backbone interact. energy: -0.204
local terms energy: -41.017427
where:
bonds (distance) C4'-P energy: -9.395
bonds (distance) P-C4' energy: -7.227
flat angles C4'-P-C4' energy: -8.746
flat angles P-C4'-P energy: -5.428
tors. eta vs tors. theta energy: -10.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -127.309563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.309563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.309563 (E_RNA)
where:
Base-Base interactions energy: -90.445
where: short stacking energy: -42.174
Base-Backbone interact. energy: 0.726
local terms energy: -37.589998
where:
bonds (distance) C4'-P energy: -5.089
bonds (distance) P-C4' energy: -7.654
flat angles C4'-P-C4' energy: -9.633
flat angles P-C4'-P energy: -6.635
tors. eta vs tors. theta energy: -8.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -127.404082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.404082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.404082 (E_RNA)
where:
Base-Base interactions energy: -86.398
where: short stacking energy: -39.066
Base-Backbone interact. energy: -0.106
local terms energy: -40.899789
where:
bonds (distance) C4'-P energy: -9.627
bonds (distance) P-C4' energy: -8.250
flat angles C4'-P-C4' energy: -7.544
flat angles P-C4'-P energy: -6.334
tors. eta vs tors. theta energy: -9.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -121.557605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.557605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.557605 (E_RNA)
where:
Base-Base interactions energy: -86.239
where: short stacking energy: -44.404
Base-Backbone interact. energy: 0.700
local terms energy: -36.018995
where:
bonds (distance) C4'-P energy: -6.344
bonds (distance) P-C4' energy: -7.809
flat angles C4'-P-C4' energy: -9.749
flat angles P-C4'-P energy: -2.272
tors. eta vs tors. theta energy: -9.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -64.437573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.437573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.437573 (E_RNA)
where:
Base-Base interactions energy: -30.069
where: short stacking energy: -30.069
Base-Backbone interact. energy: -0.001
local terms energy: -34.367951
where:
bonds (distance) C4'-P energy: -7.002
bonds (distance) P-C4' energy: -8.470
flat angles C4'-P-C4' energy: -8.234
flat angles P-C4'-P energy: -5.228
tors. eta vs tors. theta energy: -5.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -59.051015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.051015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.051015 (E_RNA)
where:
Base-Base interactions energy: -26.422
where: short stacking energy: -24.426
Base-Backbone interact. energy: -0.054
local terms energy: -32.574640
where:
bonds (distance) C4'-P energy: -6.733
bonds (distance) P-C4' energy: -9.307
flat angles C4'-P-C4' energy: -7.394
flat angles P-C4'-P energy: -5.510
tors. eta vs tors. theta energy: -3.631
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: 6
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -61.607254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.607254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.607254 (E_RNA)
where:
Base-Base interactions energy: -26.126
where: short stacking energy: -20.321
Base-Backbone interact. energy: -0.358
local terms energy: -35.123999
where:
bonds (distance) C4'-P energy: -9.875
bonds (distance) P-C4' energy: -7.286
flat angles C4'-P-C4' energy: -5.943
flat angles P-C4'-P energy: -5.749
tors. eta vs tors. theta energy: -6.271
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: 1
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -142.018017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.018017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.018017 (E_RNA)
where:
Base-Base interactions energy: -96.558
where: short stacking energy: -46.832
Base-Backbone interact. energy: -0.115
local terms energy: -45.344796
where:
bonds (distance) C4'-P energy: -9.402
bonds (distance) P-C4' energy: -9.784
flat angles C4'-P-C4' energy: -8.883
flat angles P-C4'-P energy: -5.454
tors. eta vs tors. theta energy: -11.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -141.730457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.730457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.730457 (E_RNA)
where:
Base-Base interactions energy: -105.154
where: short stacking energy: -43.183
Base-Backbone interact. energy: -0.004
local terms energy: -36.571800
where:
bonds (distance) C4'-P energy: -7.026
bonds (distance) P-C4' energy: -10.448
flat angles C4'-P-C4' energy: -9.200
flat angles P-C4'-P energy: -0.584
tors. eta vs tors. theta energy: -9.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -140.188274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.188274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.188274 (E_RNA)
where:
Base-Base interactions energy: -92.577
where: short stacking energy: -40.820
Base-Backbone interact. energy: -1.480
local terms energy: -46.131946
where:
bonds (distance) C4'-P energy: -9.218
bonds (distance) P-C4' energy: -9.625
flat angles C4'-P-C4' energy: -10.189
flat angles P-C4'-P energy: -6.413
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: 4, replica: 4
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -137.230024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.230024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.230024 (E_RNA)
where:
Base-Base interactions energy: -90.854
where: short stacking energy: -43.467
Base-Backbone interact. energy: -2.062
local terms energy: -44.313580
where:
bonds (distance) C4'-P energy: -9.457
bonds (distance) P-C4' energy: -7.911
flat angles C4'-P-C4' energy: -8.987
flat angles P-C4'-P energy: -7.614
tors. eta vs tors. theta energy: -10.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -131.329720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.329720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.329720 (E_RNA)
where:
Base-Base interactions energy: -92.122
where: short stacking energy: -44.817
Base-Backbone interact. energy: -1.432
local terms energy: -37.775873
where:
bonds (distance) C4'-P energy: -8.322
bonds (distance) P-C4' energy: -9.079
flat angles C4'-P-C4' energy: -7.787
flat angles P-C4'-P energy: -3.038
tors. eta vs tors. theta energy: -9.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -129.449997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.449997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.449997 (E_RNA)
where:
Base-Base interactions energy: -95.053
where: short stacking energy: -35.790
Base-Backbone interact. energy: -0.465
local terms energy: -33.931556
where:
bonds (distance) C4'-P energy: -5.088
bonds (distance) P-C4' energy: -10.165
flat angles C4'-P-C4' energy: -8.566
flat angles P-C4'-P energy: -2.581
tors. eta vs tors. theta energy: -7.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -132.783036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.783036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.783036 (E_RNA)
where:
Base-Base interactions energy: -89.845
where: short stacking energy: -42.844
Base-Backbone interact. energy: -0.220
local terms energy: -42.717503
where:
bonds (distance) C4'-P energy: -9.547
bonds (distance) P-C4' energy: -8.140
flat angles C4'-P-C4' energy: -8.738
flat angles P-C4'-P energy: -5.650
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: 2
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -68.375288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.375288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.375288 (E_RNA)
where:
Base-Base interactions energy: -26.209
where: short stacking energy: -26.209
Base-Backbone interact. energy: -0.009
local terms energy: -42.157333
where:
bonds (distance) C4'-P energy: -10.347
bonds (distance) P-C4' energy: -10.903
flat angles C4'-P-C4' energy: -6.464
flat angles P-C4'-P energy: -8.131
tors. eta vs tors. theta energy: -6.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -54.044143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.044143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.044143 (E_RNA)
where:
Base-Base interactions energy: -20.773
where: short stacking energy: -18.025
Base-Backbone interact. energy: -0.087
local terms energy: -33.184515
where:
bonds (distance) C4'-P energy: -8.603
bonds (distance) P-C4' energy: -10.684
flat angles C4'-P-C4' energy: -7.834
flat angles P-C4'-P energy: -5.837
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: 10, replica: 7
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -54.347168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.347168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.347168 (E_RNA)
where:
Base-Base interactions energy: -25.331
where: short stacking energy: -23.540
Base-Backbone interact. energy: -0.044
local terms energy: -28.972536
where:
bonds (distance) C4'-P energy: -8.625
bonds (distance) P-C4' energy: -10.652
flat angles C4'-P-C4' energy: -4.695
flat angles P-C4'-P energy: -4.654
tors. eta vs tors. theta energy: -0.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -147.200011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.200011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.200011 (E_RNA)
where:
Base-Base interactions energy: -107.757
where: short stacking energy: -39.492
Base-Backbone interact. energy: -0.241
local terms energy: -39.202638
where:
bonds (distance) C4'-P energy: -9.903
bonds (distance) P-C4' energy: -11.078
flat angles C4'-P-C4' energy: -10.751
flat angles P-C4'-P energy: 0.303
tors. eta vs tors. theta energy: -7.773
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: 9
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -145.360392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.360392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.360392 (E_RNA)
where:
Base-Base interactions energy: -99.023
where: short stacking energy: -47.315
Base-Backbone interact. energy: -1.480
local terms energy: -44.857380
where:
bonds (distance) C4'-P energy: -8.616
bonds (distance) P-C4' energy: -10.057
flat angles C4'-P-C4' energy: -9.998
flat angles P-C4'-P energy: -6.459
tors. eta vs tors. theta energy: -9.727
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: 8
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -133.846095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.846095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.846095 (E_RNA)
where:
Base-Base interactions energy: -91.654
where: short stacking energy: -41.690
Base-Backbone interact. energy: -0.615
local terms energy: -41.577535
where:
bonds (distance) C4'-P energy: -9.040
bonds (distance) P-C4' energy: -9.478
flat angles C4'-P-C4' energy: -9.280
flat angles P-C4'-P energy: -4.731
tors. eta vs tors. theta energy: -9.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -123.994491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.994491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.994491 (E_RNA)
where:
Base-Base interactions energy: -84.406
where: short stacking energy: -39.180
Base-Backbone interact. energy: -0.669
local terms energy: -38.919714
where:
bonds (distance) C4'-P energy: -8.232
bonds (distance) P-C4' energy: -10.423
flat angles C4'-P-C4' energy: -8.082
flat angles P-C4'-P energy: -6.254
tors. eta vs tors. theta energy: -5.929
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: 4
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -136.749704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.749704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.749704 (E_RNA)
where:
Base-Base interactions energy: -94.275
where: short stacking energy: -42.986
Base-Backbone interact. energy: 0.101
local terms energy: -42.576563
where:
bonds (distance) C4'-P energy: -7.452
bonds (distance) P-C4' energy: -8.721
flat angles C4'-P-C4' energy: -9.588
flat angles P-C4'-P energy: -7.074
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: 6, replica: 3
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -133.678483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.678483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.678483 (E_RNA)
where:
Base-Base interactions energy: -92.406
where: short stacking energy: -43.942
Base-Backbone interact. energy: -1.674
local terms energy: -39.598439
where:
bonds (distance) C4'-P energy: -7.503
bonds (distance) P-C4' energy: -9.736
flat angles C4'-P-C4' energy: -8.500
flat angles P-C4'-P energy: -4.167
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: 7, replica: 5
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -125.043338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.043338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.043338 (E_RNA)
where:
Base-Base interactions energy: -86.039
where: short stacking energy: -33.796
Base-Backbone interact. energy: 1.015
local terms energy: -40.019837
where:
bonds (distance) C4'-P energy: -9.751
bonds (distance) P-C4' energy: -10.656
flat angles C4'-P-C4' energy: -6.534
flat angles P-C4'-P energy: -7.039
tors. eta vs tors. theta energy: -6.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -61.733998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.733998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.733998 (E_RNA)
where:
Base-Base interactions energy: -28.131
where: short stacking energy: -23.670
Base-Backbone interact. energy: -0.044
local terms energy: -33.558785
where:
bonds (distance) C4'-P energy: -9.192
bonds (distance) P-C4' energy: -7.516
flat angles C4'-P-C4' energy: -7.346
flat angles P-C4'-P energy: -5.451
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: 9, replica: 2
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -68.452117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.452117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.452117 (E_RNA)
where:
Base-Base interactions energy: -30.761
where: short stacking energy: -27.613
Base-Backbone interact. energy: -0.096
local terms energy: -37.595140
where:
bonds (distance) C4'-P energy: -8.199
bonds (distance) P-C4' energy: -9.539
flat angles C4'-P-C4' energy: -10.261
flat angles P-C4'-P energy: -6.860
tors. eta vs tors. theta energy: -2.735
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: 7
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -58.017656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.017656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.017656 (E_RNA)
where:
Base-Base interactions energy: -30.854
where: short stacking energy: -27.233
Base-Backbone interact. energy: 0.584
local terms energy: -27.746768
where:
bonds (distance) C4'-P energy: -8.041
bonds (distance) P-C4' energy: -8.035
flat angles C4'-P-C4' energy: -4.010
flat angles P-C4'-P energy: -5.493
tors. eta vs tors. theta energy: -2.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -137.430263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.430263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.430263 (E_RNA)
where:
Base-Base interactions energy: -93.959
where: short stacking energy: -46.148
Base-Backbone interact. energy: -0.542
local terms energy: -42.928936
where:
bonds (distance) C4'-P energy: -9.291
bonds (distance) P-C4' energy: -9.672
flat angles C4'-P-C4' energy: -8.172
flat angles P-C4'-P energy: -6.044
tors. eta vs tors. theta energy: -9.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -143.734186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.734186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.734186 (E_RNA)
where:
Base-Base interactions energy: -109.505
where: short stacking energy: -46.665
Base-Backbone interact. energy: -0.079
local terms energy: -34.150183
where:
bonds (distance) C4'-P energy: -9.121
bonds (distance) P-C4' energy: -7.480
flat angles C4'-P-C4' energy: -8.339
flat angles P-C4'-P energy: 0.526
tors. eta vs tors. theta energy: -9.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -134.388061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.388061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.388061 (E_RNA)
where:
Base-Base interactions energy: -92.092
where: short stacking energy: -42.289
Base-Backbone interact. energy: -0.022
local terms energy: -42.273354
where:
bonds (distance) C4'-P energy: -8.749
bonds (distance) P-C4' energy: -8.815
flat angles C4'-P-C4' energy: -9.215
flat angles P-C4'-P energy: -5.893
tors. eta vs tors. theta energy: -9.601
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: 4, replica: 8
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -137.132552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.132552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.132552 (E_RNA)
where:
Base-Base interactions energy: -96.768
where: short stacking energy: -45.666
Base-Backbone interact. energy: -0.001
local terms energy: -40.364242
where:
bonds (distance) C4'-P energy: -9.312
bonds (distance) P-C4' energy: -8.427
flat angles C4'-P-C4' energy: -6.716
flat angles P-C4'-P energy: -6.579
tors. eta vs tors. theta energy: -9.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -128.133657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.133657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.133657 (E_RNA)
where:
Base-Base interactions energy: -88.371
where: short stacking energy: -38.938
Base-Backbone interact. energy: 0.162
local terms energy: -39.924833
where:
bonds (distance) C4'-P energy: -5.236
bonds (distance) P-C4' energy: -10.873
flat angles C4'-P-C4' energy: -9.031
flat angles P-C4'-P energy: -7.086
tors. eta vs tors. theta energy: -7.698
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: 4
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -136.521183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.521183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.521183 (E_RNA)
where:
Base-Base interactions energy: -95.037
where: short stacking energy: -45.516
Base-Backbone interact. energy: -0.002
local terms energy: -41.482864
where:
bonds (distance) C4'-P energy: -8.488
bonds (distance) P-C4' energy: -10.870
flat angles C4'-P-C4' energy: -5.967
flat angles P-C4'-P energy: -5.497
tors. eta vs tors. theta energy: -10.660
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: 5
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -126.114990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.114990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.114990 (E_RNA)
where:
Base-Base interactions energy: -86.730
where: short stacking energy: -37.712
Base-Backbone interact. energy: -0.311
local terms energy: -39.074735
where:
bonds (distance) C4'-P energy: -9.209
bonds (distance) P-C4' energy: -9.739
flat angles C4'-P-C4' energy: -8.789
flat angles P-C4'-P energy: -4.577
tors. eta vs tors. theta energy: -6.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -71.579642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.579642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.579642 (E_RNA)
where:
Base-Base interactions energy: -36.496
where: short stacking energy: -28.462
Base-Backbone interact. energy: -0.026
local terms energy: -35.057124
where:
bonds (distance) C4'-P energy: -5.188
bonds (distance) P-C4' energy: -10.842
flat angles C4'-P-C4' energy: -6.626
flat angles P-C4'-P energy: -6.265
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: 9, replica: 2
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -65.140841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.140841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.140841 (E_RNA)
where:
Base-Base interactions energy: -31.059
where: short stacking energy: -28.145
Base-Backbone interact. energy: -0.055
local terms energy: -34.026914
where:
bonds (distance) C4'-P energy: -6.895
bonds (distance) P-C4' energy: -10.233
flat angles C4'-P-C4' energy: -7.134
flat angles P-C4'-P energy: -4.426
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: 10, replica: 7
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -54.508952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.508952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.508952 (E_RNA)
where:
Base-Base interactions energy: -22.631
where: short stacking energy: -20.876
Base-Backbone interact. energy: -0.145
local terms energy: -31.732867
where:
bonds (distance) C4'-P energy: -9.921
bonds (distance) P-C4' energy: -7.597
flat angles C4'-P-C4' energy: -6.376
flat angles P-C4'-P energy: -4.624
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: 9
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -145.350177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.350177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.350177 (E_RNA)
where:
Base-Base interactions energy: -101.867
where: short stacking energy: -40.817
Base-Backbone interact. energy: -0.001
local terms energy: -43.482804
where:
bonds (distance) C4'-P energy: -7.995
bonds (distance) P-C4' energy: -10.652
flat angles C4'-P-C4' energy: -11.390
flat angles P-C4'-P energy: -5.360
tors. eta vs tors. theta energy: -8.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -140.292319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.292319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.292319 (E_RNA)
where:
Base-Base interactions energy: -97.076
where: short stacking energy: -44.804
Base-Backbone interact. energy: -0.506
local terms energy: -42.710224
where:
bonds (distance) C4'-P energy: -9.929
bonds (distance) P-C4' energy: -8.379
flat angles C4'-P-C4' energy: -9.085
flat angles P-C4'-P energy: -4.826
tors. eta vs tors. theta energy: -10.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -134.575665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.575665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.575665 (E_RNA)
where:
Base-Base interactions energy: -89.293
where: short stacking energy: -40.347
Base-Backbone interact. energy: -1.436
local terms energy: -43.846145
where:
bonds (distance) C4'-P energy: -9.671
bonds (distance) P-C4' energy: -9.699
flat angles C4'-P-C4' energy: -8.561
flat angles P-C4'-P energy: -7.569
tors. eta vs tors. theta energy: -8.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -121.474125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.474125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.474125 (E_RNA)
where:
Base-Base interactions energy: -85.389
where: short stacking energy: -34.620
Base-Backbone interact. energy: -0.968
local terms energy: -35.117135
where:
bonds (distance) C4'-P energy: -10.053
bonds (distance) P-C4' energy: -8.259
flat angles C4'-P-C4' energy: -5.149
flat angles P-C4'-P energy: -3.577
tors. eta vs tors. theta energy: -8.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -133.460242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.460242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.460242 (E_RNA)
where:
Base-Base interactions energy: -93.970
where: short stacking energy: -43.673
Base-Backbone interact. energy: -1.257
local terms energy: -38.232909
where:
bonds (distance) C4'-P energy: -4.154
bonds (distance) P-C4' energy: -8.498
flat angles C4'-P-C4' energy: -9.041
flat angles P-C4'-P energy: -6.230
tors. eta vs tors. theta energy: -10.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -129.815071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.815071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.815071 (E_RNA)
where:
Base-Base interactions energy: -87.578
where: short stacking energy: -31.392
Base-Backbone interact. energy: -0.060
local terms energy: -42.177896
where:
bonds (distance) C4'-P energy: -9.883
bonds (distance) P-C4' energy: -11.085
flat angles C4'-P-C4' energy: -7.021
flat angles P-C4'-P energy: -4.377
tors. eta vs tors. theta energy: -9.812
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: 4
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -122.106159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.106159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.106159 (E_RNA)
where:
Base-Base interactions energy: -87.555
where: short stacking energy: -37.275
Base-Backbone interact. energy: -0.049
local terms energy: -34.502175
where:
bonds (distance) C4'-P energy: -2.207
bonds (distance) P-C4' energy: -8.896
flat angles C4'-P-C4' energy: -9.169
flat angles P-C4'-P energy: -7.330
tors. eta vs tors. theta energy: -6.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -77.103276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.103276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.103276 (E_RNA)
where:
Base-Base interactions energy: -36.697
where: short stacking energy: -30.146
Base-Backbone interact. energy: -0.076
local terms energy: -40.330202
where:
bonds (distance) C4'-P energy: -8.981
bonds (distance) P-C4' energy: -9.380
flat angles C4'-P-C4' energy: -9.733
flat angles P-C4'-P energy: -6.638
tors. eta vs tors. theta energy: -5.598
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: 6
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -73.617322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.617322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.617322 (E_RNA)
where:
Base-Base interactions energy: -43.591
where: short stacking energy: -14.451
Base-Backbone interact. energy: -0.062
local terms energy: -29.964891
where:
bonds (distance) C4'-P energy: -10.214
bonds (distance) P-C4' energy: -6.877
flat angles C4'-P-C4' energy: -8.144
flat angles P-C4'-P energy: -4.141
tors. eta vs tors. theta energy: -0.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -70.370173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.370173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.370173 (E_RNA)
where:
Base-Base interactions energy: -34.700
where: short stacking energy: -34.700
Base-Backbone interact. energy: -0.040
local terms energy: -35.630715
where:
bonds (distance) C4'-P energy: -9.092
bonds (distance) P-C4' energy: -7.098
flat angles C4'-P-C4' energy: -8.640
flat angles P-C4'-P energy: -6.000
tors. eta vs tors. theta energy: -4.800
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: 1, replica: 10
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -142.239501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.239501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.239501 (E_RNA)
where:
Base-Base interactions energy: -94.908
where: short stacking energy: -44.986
Base-Backbone interact. energy: -1.156
local terms energy: -46.175671
where:
bonds (distance) C4'-P energy: -10.090
bonds (distance) P-C4' energy: -10.419
flat angles C4'-P-C4' energy: -8.425
flat angles P-C4'-P energy: -7.324
tors. eta vs tors. theta energy: -9.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -152.795840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.795840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.795840 (E_RNA)
where:
Base-Base interactions energy: -112.267
where: short stacking energy: -49.238
Base-Backbone interact. energy: -0.008
local terms energy: -40.520860
where:
bonds (distance) C4'-P energy: -7.412
bonds (distance) P-C4' energy: -9.993
flat angles C4'-P-C4' energy: -10.824
flat angles P-C4'-P energy: -2.863
tors. eta vs tors. theta energy: -9.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -140.072199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.072199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.072199 (E_RNA)
where:
Base-Base interactions energy: -99.862
where: short stacking energy: -38.191
Base-Backbone interact. energy: -0.025
local terms energy: -40.185303
where:
bonds (distance) C4'-P energy: -9.945
bonds (distance) P-C4' energy: -10.168
flat angles C4'-P-C4' energy: -8.875
flat angles P-C4'-P energy: -2.316
tors. eta vs tors. theta energy: -8.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -131.287986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.287986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.287986 (E_RNA)
where:
Base-Base interactions energy: -88.698
where: short stacking energy: -38.667
Base-Backbone interact. energy: -0.008
local terms energy: -42.581894
where:
bonds (distance) C4'-P energy: -9.415
bonds (distance) P-C4' energy: -10.122
flat angles C4'-P-C4' energy: -10.548
flat angles P-C4'-P energy: -6.012
tors. eta vs tors. theta energy: -6.485
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: 5, replica: 5
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -134.818065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.818065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.818065 (E_RNA)
where:
Base-Base interactions energy: -90.993
where: short stacking energy: -42.558
Base-Backbone interact. energy: -0.624
local terms energy: -43.201139
where:
bonds (distance) C4'-P energy: -8.616
bonds (distance) P-C4' energy: -8.798
flat angles C4'-P-C4' energy: -7.157
flat angles P-C4'-P energy: -8.290
tors. eta vs tors. theta energy: -10.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -141.997514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.997514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.997514 (E_RNA)
where:
Base-Base interactions energy: -107.367
where: short stacking energy: -46.807
Base-Backbone interact. energy: -0.006
local terms energy: -34.625211
where:
bonds (distance) C4'-P energy: -6.679
bonds (distance) P-C4' energy: -8.017
flat angles C4'-P-C4' energy: -6.073
flat angles P-C4'-P energy: -4.084
tors. eta vs tors. theta energy: -9.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -133.535191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.535191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.535191 (E_RNA)
where:
Base-Base interactions energy: -92.970
where: short stacking energy: -44.330
Base-Backbone interact. energy: -0.590
local terms energy: -39.975730
where:
bonds (distance) C4'-P energy: -9.324
bonds (distance) P-C4' energy: -7.104
flat angles C4'-P-C4' energy: -9.874
flat angles P-C4'-P energy: -3.884
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: 290
Temperature: 1.250000
Total energy: -55.765168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.765168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.765168 (E_RNA)
where:
Base-Base interactions energy: -31.136
where: short stacking energy: -24.497
Base-Backbone interact. energy: -0.079
local terms energy: -24.550932
where:
bonds (distance) C4'-P energy: -4.576
bonds (distance) P-C4' energy: -8.766
flat angles C4'-P-C4' energy: -7.230
flat angles P-C4'-P energy: -2.723
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: 7
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -58.851341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.851341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.851341 (E_RNA)
where:
Base-Base interactions energy: -30.598
where: short stacking energy: -22.672
Base-Backbone interact. energy: -0.129
local terms energy: -28.123681
where:
bonds (distance) C4'-P energy: -7.473
bonds (distance) P-C4' energy: -9.506
flat angles C4'-P-C4' energy: -10.403
flat angles P-C4'-P energy: -1.301
tors. eta vs tors. theta energy: 0.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -69.463045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.463045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.463045 (E_RNA)
where:
Base-Base interactions energy: -36.154
where: short stacking energy: -22.429
Base-Backbone interact. energy: -0.001
local terms energy: -33.308354
where:
bonds (distance) C4'-P energy: -6.612
bonds (distance) P-C4' energy: -7.681
flat angles C4'-P-C4' energy: -9.297
flat angles P-C4'-P energy: -7.596
tors. eta vs tors. theta energy: -2.123
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: 10
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -136.856489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.856489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.856489 (E_RNA)
where:
Base-Base interactions energy: -87.808
where: short stacking energy: -42.115
Base-Backbone interact. energy: -0.608
local terms energy: -48.440662
where:
bonds (distance) C4'-P energy: -10.392
bonds (distance) P-C4' energy: -10.612
flat angles C4'-P-C4' energy: -10.347
flat angles P-C4'-P energy: -7.091
tors. eta vs tors. theta energy: -9.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -140.251820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.251820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.251820 (E_RNA)
where:
Base-Base interactions energy: -98.168
where: short stacking energy: -46.239
Base-Backbone interact. energy: -0.368
local terms energy: -41.715560
where:
bonds (distance) C4'-P energy: -7.557
bonds (distance) P-C4' energy: -9.746
flat angles C4'-P-C4' energy: -10.249
flat angles P-C4'-P energy: -4.370
tors. eta vs tors. theta energy: -9.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -136.909134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.909134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.909134 (E_RNA)
where:
Base-Base interactions energy: -93.132
where: short stacking energy: -39.914
Base-Backbone interact. energy: -0.684
local terms energy: -43.092829
where:
bonds (distance) C4'-P energy: -9.851
bonds (distance) P-C4' energy: -10.880
flat angles C4'-P-C4' energy: -6.076
flat angles P-C4'-P energy: -7.458
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: 291
Temperature: 1.050000
Total energy: -138.868210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.868210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.868210 (E_RNA)
where:
Base-Base interactions energy: -96.806
where: short stacking energy: -39.594
Base-Backbone interact. energy: -0.762
local terms energy: -41.300593
where:
bonds (distance) C4'-P energy: -10.107
bonds (distance) P-C4' energy: -10.880
flat angles C4'-P-C4' energy: -4.988
flat angles P-C4'-P energy: -6.756
tors. eta vs tors. theta energy: -8.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -134.407781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.407781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.407781 (E_RNA)
where:
Base-Base interactions energy: -93.607
where: short stacking energy: -42.615
Base-Backbone interact. energy: -1.287
local terms energy: -39.514475
where:
bonds (distance) C4'-P energy: -8.517
bonds (distance) P-C4' energy: -6.234
flat angles C4'-P-C4' energy: -10.068
flat angles P-C4'-P energy: -5.689
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: 6, replica: 8
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -134.528870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.528870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.528870 (E_RNA)
where:
Base-Base interactions energy: -99.841
where: short stacking energy: -41.024
Base-Backbone interact. energy: -0.010
local terms energy: -34.677422
where:
bonds (distance) C4'-P energy: -6.857
bonds (distance) P-C4' energy: -8.566
flat angles C4'-P-C4' energy: -5.667
flat angles P-C4'-P energy: -4.670
tors. eta vs tors. theta energy: -8.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -125.834291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.834291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.834291 (E_RNA)
where:
Base-Base interactions energy: -84.608
where: short stacking energy: -38.074
Base-Backbone interact. energy: -0.490
local terms energy: -40.736309
where:
bonds (distance) C4'-P energy: -8.373
bonds (distance) P-C4' energy: -9.309
flat angles C4'-P-C4' energy: -7.714
flat angles P-C4'-P energy: -6.225
tors. eta vs tors. theta energy: -9.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -66.792344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.792344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.792344 (E_RNA)
where:
Base-Base interactions energy: -33.362
where: short stacking energy: -25.415
Base-Backbone interact. energy: -0.012
local terms energy: -33.418346
where:
bonds (distance) C4'-P energy: -8.323
bonds (distance) P-C4' energy: -10.165
flat angles C4'-P-C4' energy: -7.656
flat angles P-C4'-P energy: -2.374
tors. eta vs tors. theta energy: -4.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -54.670153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.670153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.670153 (E_RNA)
where:
Base-Base interactions energy: -26.510
where: short stacking energy: -26.510
Base-Backbone interact. energy: -0.080
local terms energy: -28.080020
where:
bonds (distance) C4'-P energy: -6.485
bonds (distance) P-C4' energy: -8.647
flat angles C4'-P-C4' energy: -6.214
flat angles P-C4'-P energy: -4.743
tors. eta vs tors. theta energy: -1.991
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: 291
Temperature: 1.350000
Total energy: -64.546790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.546790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.546790 (E_RNA)
where:
Base-Base interactions energy: -28.583
where: short stacking energy: -28.583
Base-Backbone interact. energy: -0.076
local terms energy: -35.887086
where:
bonds (distance) C4'-P energy: -4.848
bonds (distance) P-C4' energy: -10.641
flat angles C4'-P-C4' energy: -7.143
flat angles P-C4'-P energy: -4.946
tors. eta vs tors. theta energy: -8.309
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: 9
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -140.713815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.713815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.713815 (E_RNA)
where:
Base-Base interactions energy: -94.657
where: short stacking energy: -43.764
Base-Backbone interact. energy: -1.333
local terms energy: -44.724302
where:
bonds (distance) C4'-P energy: -9.709
bonds (distance) P-C4' energy: -8.551
flat angles C4'-P-C4' energy: -10.350
flat angles P-C4'-P energy: -6.544
tors. eta vs tors. theta energy: -9.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -140.659579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.659579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.659579 (E_RNA)
where:
Base-Base interactions energy: -98.712
where: short stacking energy: -46.808
Base-Backbone interact. energy: 0.740
local terms energy: -42.688139
where:
bonds (distance) C4'-P energy: -9.618
bonds (distance) P-C4' energy: -8.859
flat angles C4'-P-C4' energy: -9.303
flat angles P-C4'-P energy: -5.347
tors. eta vs tors. theta energy: -9.561
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: 5
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -143.856167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.856167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.856167 (E_RNA)
where:
Base-Base interactions energy: -99.778
where: short stacking energy: -47.039
Base-Backbone interact. energy: -1.909
local terms energy: -42.169867
where:
bonds (distance) C4'-P energy: -8.571
bonds (distance) P-C4' energy: -9.370
flat angles C4'-P-C4' energy: -7.564
flat angles P-C4'-P energy: -6.439
tors. eta vs tors. theta energy: -10.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -136.290532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.290532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.290532 (E_RNA)
where:
Base-Base interactions energy: -93.249
where: short stacking energy: -44.086
Base-Backbone interact. energy: -1.260
local terms energy: -41.782087
where:
bonds (distance) C4'-P energy: -7.490
bonds (distance) P-C4' energy: -5.249
flat angles C4'-P-C4' energy: -10.828
flat angles P-C4'-P energy: -6.634
tors. eta vs tors. theta energy: -11.581
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: 292
Temperature: 1.100000
Total energy: -133.855121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.855121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.855121 (E_RNA)
where:
Base-Base interactions energy: -97.404
where: short stacking energy: -40.208
Base-Backbone interact. energy: -0.611
local terms energy: -35.840265
where:
bonds (distance) C4'-P energy: -8.095
bonds (distance) P-C4' energy: -7.286
flat angles C4'-P-C4' energy: -9.105
flat angles P-C4'-P energy: -3.333
tors. eta vs tors. theta energy: -8.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -127.920439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.920439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.920439 (E_RNA)
where:
Base-Base interactions energy: -87.699
where: short stacking energy: -37.546
Base-Backbone interact. energy: -1.039
local terms energy: -39.182780
where:
bonds (distance) C4'-P energy: -9.751
bonds (distance) P-C4' energy: -8.512
flat angles C4'-P-C4' energy: -7.745
flat angles P-C4'-P energy: -4.768
tors. eta vs tors. theta energy: -8.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -134.257134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.257134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.257134 (E_RNA)
where:
Base-Base interactions energy: -91.826
where: short stacking energy: -42.632
Base-Backbone interact. energy: -0.036
local terms energy: -42.395723
where:
bonds (distance) C4'-P energy: -8.799
bonds (distance) P-C4' energy: -11.113
flat angles C4'-P-C4' energy: -10.434
flat angles P-C4'-P energy: -2.644
tors. eta vs tors. theta energy: -9.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -73.204527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.204527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.204527 (E_RNA)
where:
Base-Base interactions energy: -38.902
where: short stacking energy: -33.354
Base-Backbone interact. energy: -0.000
local terms energy: -34.302542
where:
bonds (distance) C4'-P energy: -3.484
bonds (distance) P-C4' energy: -10.401
flat angles C4'-P-C4' energy: -6.968
flat angles P-C4'-P energy: -6.789
tors. eta vs tors. theta energy: -6.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -71.755956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.755956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.755956 (E_RNA)
where:
Base-Base interactions energy: -33.149
where: short stacking energy: -33.149
Base-Backbone interact. energy: -0.001
local terms energy: -38.606396
where:
bonds (distance) C4'-P energy: -5.789
bonds (distance) P-C4' energy: -9.978
flat angles C4'-P-C4' energy: -8.440
flat angles P-C4'-P energy: -7.160
tors. eta vs tors. theta energy: -7.239
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: 7
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -60.226731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.226731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.226731 (E_RNA)
where:
Base-Base interactions energy: -24.491
where: short stacking energy: -24.491
Base-Backbone interact. energy: -0.015
local terms energy: -35.721546
where:
bonds (distance) C4'-P energy: -9.875
bonds (distance) P-C4' energy: -8.711
flat angles C4'-P-C4' energy: -9.195
flat angles P-C4'-P energy: -5.012
tors. eta vs tors. theta energy: -2.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -142.702987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.702987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.702987 (E_RNA)
where:
Base-Base interactions energy: -98.497
where: short stacking energy: -46.798
Base-Backbone interact. energy: -1.448
local terms energy: -42.757198
where:
bonds (distance) C4'-P energy: -8.554
bonds (distance) P-C4' energy: -10.380
flat angles C4'-P-C4' energy: -10.183
flat angles P-C4'-P energy: -5.463
tors. eta vs tors. theta energy: -8.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -142.525828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.525828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.525828 (E_RNA)
where:
Base-Base interactions energy: -94.739
where: short stacking energy: -44.081
Base-Backbone interact. energy: -0.293
local terms energy: -47.493412
where:
bonds (distance) C4'-P energy: -9.804
bonds (distance) P-C4' energy: -9.498
flat angles C4'-P-C4' energy: -10.129
flat angles P-C4'-P energy: -8.027
tors. eta vs tors. theta energy: -10.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -135.415713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.415713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.415713 (E_RNA)
where:
Base-Base interactions energy: -92.205
where: short stacking energy: -41.780
Base-Backbone interact. energy: -1.384
local terms energy: -41.826560
where:
bonds (distance) C4'-P energy: -9.937
bonds (distance) P-C4' energy: -8.622
flat angles C4'-P-C4' energy: -9.101
flat angles P-C4'-P energy: -5.196
tors. eta vs tors. theta energy: -8.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -136.276399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.276399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.276399 (E_RNA)
where:
Base-Base interactions energy: -96.367
where: short stacking energy: -46.361
Base-Backbone interact. energy: -0.001
local terms energy: -39.908234
where:
bonds (distance) C4'-P energy: -8.107
bonds (distance) P-C4' energy: -8.108
flat angles C4'-P-C4' energy: -8.121
flat angles P-C4'-P energy: -5.719
tors. eta vs tors. theta energy: -9.853
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: 293
Temperature: 1.100000
Total energy: -137.578022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.578022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.578022 (E_RNA)
where:
Base-Base interactions energy: -93.091
where: short stacking energy: -42.674
Base-Backbone interact. energy: -1.004
local terms energy: -43.482674
where:
bonds (distance) C4'-P energy: -8.658
bonds (distance) P-C4' energy: -7.745
flat angles C4'-P-C4' energy: -10.335
flat angles P-C4'-P energy: -7.251
tors. eta vs tors. theta energy: -9.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -130.845393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.845393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.845393 (E_RNA)
where:
Base-Base interactions energy: -91.802
where: short stacking energy: -43.230
Base-Backbone interact. energy: -0.009
local terms energy: -39.034105
where:
bonds (distance) C4'-P energy: -9.076
bonds (distance) P-C4' energy: -7.110
flat angles C4'-P-C4' energy: -9.096
flat angles P-C4'-P energy: -4.642
tors. eta vs tors. theta energy: -9.112
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: 4
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -126.664900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.664900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.664900 (E_RNA)
where:
Base-Base interactions energy: -84.681
where: short stacking energy: -36.687
Base-Backbone interact. energy: -0.347
local terms energy: -41.636615
where:
bonds (distance) C4'-P energy: -7.619
bonds (distance) P-C4' energy: -9.665
flat angles C4'-P-C4' energy: -9.923
flat angles P-C4'-P energy: -4.132
tors. eta vs tors. theta energy: -10.297
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: 6
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -65.215457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.215457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.215457 (E_RNA)
where:
Base-Base interactions energy: -30.640
where: short stacking energy: -30.640
Base-Backbone interact. energy: -0.035
local terms energy: -34.540359
where:
bonds (distance) C4'-P energy: -7.709
bonds (distance) P-C4' energy: -9.048
flat angles C4'-P-C4' energy: -7.581
flat angles P-C4'-P energy: -6.426
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: 9, replica: 2
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -71.060014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.060014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.060014 (E_RNA)
where:
Base-Base interactions energy: -46.325
where: short stacking energy: -19.754
Base-Backbone interact. energy: -0.027
local terms energy: -24.707570
where:
bonds (distance) C4'-P energy: -10.463
bonds (distance) P-C4' energy: -6.661
flat angles C4'-P-C4' energy: -2.863
flat angles P-C4'-P energy: -2.630
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: 10, replica: 7
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -57.298177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.298177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.298177 (E_RNA)
where:
Base-Base interactions energy: -25.099
where: short stacking energy: -25.099
Base-Backbone interact. energy: -0.013
local terms energy: -32.186062
where:
bonds (distance) C4'-P energy: -8.223
bonds (distance) P-C4' energy: -4.456
flat angles C4'-P-C4' energy: -8.887
flat angles P-C4'-P energy: -5.698
tors. eta vs tors. theta energy: -4.922
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: 5
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -140.608472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.608472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.608472 (E_RNA)
where:
Base-Base interactions energy: -97.773
where: short stacking energy: -43.860
Base-Backbone interact. energy: -0.212
local terms energy: -42.623029
where:
bonds (distance) C4'-P energy: -7.930
bonds (distance) P-C4' energy: -8.119
flat angles C4'-P-C4' energy: -10.923
flat angles P-C4'-P energy: -8.588
tors. eta vs tors. theta energy: -7.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -143.471084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.471084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.471084 (E_RNA)
where:
Base-Base interactions energy: -101.986
where: short stacking energy: -43.363
Base-Backbone interact. energy: -0.108
local terms energy: -41.377844
where:
bonds (distance) C4'-P energy: -9.689
bonds (distance) P-C4' energy: -9.925
flat angles C4'-P-C4' energy: -8.805
flat angles P-C4'-P energy: -2.994
tors. eta vs tors. theta energy: -9.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -139.952345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.952345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.952345 (E_RNA)
where:
Base-Base interactions energy: -94.315
where: short stacking energy: -44.726
Base-Backbone interact. energy: -0.865
local terms energy: -44.773092
where:
bonds (distance) C4'-P energy: -8.695
bonds (distance) P-C4' energy: -10.873
flat angles C4'-P-C4' energy: -8.906
flat angles P-C4'-P energy: -6.917
tors. eta vs tors. theta energy: -9.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -132.306366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.306366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.306366 (E_RNA)
where:
Base-Base interactions energy: -100.223
where: short stacking energy: -41.793
Base-Backbone interact. energy: -0.008
local terms energy: -32.075040
where:
bonds (distance) C4'-P energy: -3.666
bonds (distance) P-C4' energy: -9.914
flat angles C4'-P-C4' energy: -9.106
flat angles P-C4'-P energy: 2.657
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: 3
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -136.274108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.274108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.274108 (E_RNA)
where:
Base-Base interactions energy: -96.970
where: short stacking energy: -43.547
Base-Backbone interact. energy: -0.413
local terms energy: -38.891948
where:
bonds (distance) C4'-P energy: -9.494
bonds (distance) P-C4' energy: -4.880
flat angles C4'-P-C4' energy: -8.434
flat angles P-C4'-P energy: -7.722
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: 6, replica: 1
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -131.461027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.461027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.461027 (E_RNA)
where:
Base-Base interactions energy: -89.823
where: short stacking energy: -40.968
Base-Backbone interact. energy: -1.121
local terms energy: -40.516539
where:
bonds (distance) C4'-P energy: -7.452
bonds (distance) P-C4' energy: -8.889
flat angles C4'-P-C4' energy: -8.136
flat angles P-C4'-P energy: -6.293
tors. eta vs tors. theta energy: -9.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -126.865399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.865399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.865399 (E_RNA)
where:
Base-Base interactions energy: -90.966
where: short stacking energy: -41.645
Base-Backbone interact. energy: 0.244
local terms energy: -36.143156
where:
bonds (distance) C4'-P energy: -5.193
bonds (distance) P-C4' energy: -7.365
flat angles C4'-P-C4' energy: -9.361
flat angles P-C4'-P energy: -6.727
tors. eta vs tors. theta energy: -7.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -74.411202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.411202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.411202 (E_RNA)
where:
Base-Base interactions energy: -41.749
where: short stacking energy: -16.757
Base-Backbone interact. energy: -0.102
local terms energy: -32.560284
where:
bonds (distance) C4'-P energy: -8.633
bonds (distance) P-C4' energy: -6.189
flat angles C4'-P-C4' energy: -8.475
flat angles P-C4'-P energy: -3.843
tors. eta vs tors. theta energy: -5.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -62.177663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.177663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.177663 (E_RNA)
where:
Base-Base interactions energy: -29.534
where: short stacking energy: -29.351
Base-Backbone interact. energy: -0.006
local terms energy: -32.637600
where:
bonds (distance) C4'-P energy: -6.848
bonds (distance) P-C4' energy: -9.557
flat angles C4'-P-C4' energy: -3.607
flat angles P-C4'-P energy: -6.129
tors. eta vs tors. theta energy: -6.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -57.529727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.529727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.529727 (E_RNA)
where:
Base-Base interactions energy: -21.498
where: short stacking energy: -21.498
Base-Backbone interact. energy: -0.055
local terms energy: -35.976063
where:
bonds (distance) C4'-P energy: -7.780
bonds (distance) P-C4' energy: -10.902
flat angles C4'-P-C4' energy: -6.175
flat angles P-C4'-P energy: -5.447
tors. eta vs tors. theta energy: -5.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -140.950128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.950128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.950128 (E_RNA)
where:
Base-Base interactions energy: -101.640
where: short stacking energy: -41.438
Base-Backbone interact. energy: -0.002
local terms energy: -39.308411
where:
bonds (distance) C4'-P energy: -10.268
bonds (distance) P-C4' energy: -8.006
flat angles C4'-P-C4' energy: -8.653
flat angles P-C4'-P energy: -5.337
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: 2, replica: 8
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -139.896831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.896831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.896831 (E_RNA)
where:
Base-Base interactions energy: -90.769
where: short stacking energy: -40.293
Base-Backbone interact. energy: -1.021
local terms energy: -48.107023
where:
bonds (distance) C4'-P energy: -9.787
bonds (distance) P-C4' energy: -10.680
flat angles C4'-P-C4' energy: -11.197
flat angles P-C4'-P energy: -7.746
tors. eta vs tors. theta energy: -8.696
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: 9
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -140.949523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.949523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.949523 (E_RNA)
where:
Base-Base interactions energy: -94.981
where: short stacking energy: -43.763
Base-Backbone interact. energy: -1.610
local terms energy: -44.358941
where:
bonds (distance) C4'-P energy: -9.142
bonds (distance) P-C4' energy: -8.830
flat angles C4'-P-C4' energy: -10.106
flat angles P-C4'-P energy: -7.982
tors. eta vs tors. theta energy: -8.298
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: 10
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -133.806499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.806499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.806499 (E_RNA)
where:
Base-Base interactions energy: -90.480
where: short stacking energy: -43.286
Base-Backbone interact. energy: -0.782
local terms energy: -42.544825
where:
bonds (distance) C4'-P energy: -9.999
bonds (distance) P-C4' energy: -7.769
flat angles C4'-P-C4' energy: -9.236
flat angles P-C4'-P energy: -7.333
tors. eta vs tors. theta energy: -8.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -135.018691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.018691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.018691 (E_RNA)
where:
Base-Base interactions energy: -93.447
where: short stacking energy: -40.901
Base-Backbone interact. energy: -0.001
local terms energy: -41.570982
where:
bonds (distance) C4'-P energy: -9.913
bonds (distance) P-C4' energy: -7.524
flat angles C4'-P-C4' energy: -8.382
flat angles P-C4'-P energy: -6.315
tors. eta vs tors. theta energy: -9.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -127.413084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.413084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.413084 (E_RNA)
where:
Base-Base interactions energy: -87.578
where: short stacking energy: -37.302
Base-Backbone interact. energy: -0.982
local terms energy: -38.853098
where:
bonds (distance) C4'-P energy: -6.680
bonds (distance) P-C4' energy: -11.110
flat angles C4'-P-C4' energy: -6.806
flat angles P-C4'-P energy: -7.409
tors. eta vs tors. theta energy: -6.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -128.927773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.927773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.927773 (E_RNA)
where:
Base-Base interactions energy: -85.404
where: short stacking energy: -43.687
Base-Backbone interact. energy: -0.314
local terms energy: -43.209512
where:
bonds (distance) C4'-P energy: -8.570
bonds (distance) P-C4' energy: -10.220
flat angles C4'-P-C4' energy: -9.163
flat angles P-C4'-P energy: -6.803
tors. eta vs tors. theta energy: -8.454
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: 7
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -75.305237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.305237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.305237 (E_RNA)
where:
Base-Base interactions energy: -39.905
where: short stacking energy: -30.090
Base-Backbone interact. energy: -0.025
local terms energy: -35.374767
where:
bonds (distance) C4'-P energy: -6.610
bonds (distance) P-C4' energy: -10.656
flat angles C4'-P-C4' energy: -9.827
flat angles P-C4'-P energy: -4.924
tors. eta vs tors. theta energy: -3.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -58.520166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.520166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.520166 (E_RNA)
where:
Base-Base interactions energy: -25.004
where: short stacking energy: -25.004
Base-Backbone interact. energy: -0.037
local terms energy: -33.478673
where:
bonds (distance) C4'-P energy: -5.134
bonds (distance) P-C4' energy: -10.441
flat angles C4'-P-C4' energy: -6.152
flat angles P-C4'-P energy: -5.827
tors. eta vs tors. theta energy: -5.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -68.121004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.121004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.121004 (E_RNA)
where:
Base-Base interactions energy: -31.749
where: short stacking energy: -31.749
Base-Backbone interact. energy: -0.109
local terms energy: -36.262512
where:
bonds (distance) C4'-P energy: -7.247
bonds (distance) P-C4' energy: -8.594
flat angles C4'-P-C4' energy: -8.072
flat angles P-C4'-P energy: -5.037
tors. eta vs tors. theta energy: -7.312
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: 1, replica: 8
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -141.392792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.392792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.392792 (E_RNA)
where:
Base-Base interactions energy: -94.296
where: short stacking energy: -43.327
Base-Backbone interact. energy: -2.868
local terms energy: -44.228094
where:
bonds (distance) C4'-P energy: -7.496
bonds (distance) P-C4' energy: -8.957
flat angles C4'-P-C4' energy: -9.740
flat angles P-C4'-P energy: -7.390
tors. eta vs tors. theta energy: -10.644
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: 5
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -142.215226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.215226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.215226 (E_RNA)
where:
Base-Base interactions energy: -95.552
where: short stacking energy: -46.733
Base-Backbone interact. energy: -0.997
local terms energy: -45.666383
where:
bonds (distance) C4'-P energy: -8.004
bonds (distance) P-C4' energy: -8.300
flat angles C4'-P-C4' energy: -10.762
flat angles P-C4'-P energy: -6.778
tors. eta vs tors. theta energy: -11.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -136.858104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.858104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.858104 (E_RNA)
where:
Base-Base interactions energy: -92.135
where: short stacking energy: -43.310
Base-Backbone interact. energy: -0.971
local terms energy: -43.752208
where:
bonds (distance) C4'-P energy: -8.741
bonds (distance) P-C4' energy: -9.813
flat angles C4'-P-C4' energy: -8.952
flat angles P-C4'-P energy: -8.403
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: 4, replica: 9
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -133.849038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.849038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.849038 (E_RNA)
where:
Base-Base interactions energy: -90.433
where: short stacking energy: -43.015
Base-Backbone interact. energy: -0.002
local terms energy: -43.413948
where:
bonds (distance) C4'-P energy: -9.154
bonds (distance) P-C4' energy: -7.147
flat angles C4'-P-C4' energy: -8.950
flat angles P-C4'-P energy: -6.469
tors. eta vs tors. theta energy: -11.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -132.215320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.215320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.215320 (E_RNA)
where:
Base-Base interactions energy: -92.184
where: short stacking energy: -38.040
Base-Backbone interact. energy: -0.024
local terms energy: -40.006980
where:
bonds (distance) C4'-P energy: -6.716
bonds (distance) P-C4' energy: -9.401
flat angles C4'-P-C4' energy: -8.733
flat angles P-C4'-P energy: -6.995
tors. eta vs tors. theta energy: -8.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -142.959339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.959339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.959339 (E_RNA)
where:
Base-Base interactions energy: -96.722
where: short stacking energy: -47.183
Base-Backbone interact. energy: -0.006
local terms energy: -46.230930
where:
bonds (distance) C4'-P energy: -7.826
bonds (distance) P-C4' energy: -10.168
flat angles C4'-P-C4' energy: -9.642
flat angles P-C4'-P energy: -7.999
tors. eta vs tors. theta energy: -10.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -123.321508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.321508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.321508 (E_RNA)
where:
Base-Base interactions energy: -84.971
where: short stacking energy: -38.219
Base-Backbone interact. energy: -0.038
local terms energy: -38.312647
where:
bonds (distance) C4'-P energy: -9.084
bonds (distance) P-C4' energy: -7.586
flat angles C4'-P-C4' energy: -7.593
flat angles P-C4'-P energy: -7.025
tors. eta vs tors. theta energy: -7.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -63.825825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.825825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.825825 (E_RNA)
where:
Base-Base interactions energy: -23.752
where: short stacking energy: -23.752
Base-Backbone interact. energy: -0.248
local terms energy: -39.825630
where:
bonds (distance) C4'-P energy: -9.067
bonds (distance) P-C4' energy: -10.898
flat angles C4'-P-C4' energy: -6.433
flat angles P-C4'-P energy: -7.830
tors. eta vs tors. theta energy: -5.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -73.948579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.948579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.948579 (E_RNA)
where:
Base-Base interactions energy: -36.692
where: short stacking energy: -36.692
Base-Backbone interact. energy: -0.000
local terms energy: -37.256510
where:
bonds (distance) C4'-P energy: -4.763
bonds (distance) P-C4' energy: -10.429
flat angles C4'-P-C4' energy: -9.022
flat angles P-C4'-P energy: -4.189
tors. eta vs tors. theta energy: -8.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -56.630875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.630875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.630875 (E_RNA)
where:
Base-Base interactions energy: -27.332
where: short stacking energy: -21.587
Base-Backbone interact. energy: -0.054
local terms energy: -29.245065
where:
bonds (distance) C4'-P energy: -2.874
bonds (distance) P-C4' energy: -8.703
flat angles C4'-P-C4' energy: -7.135
flat angles P-C4'-P energy: -7.316
tors. eta vs tors. theta energy: -3.217
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: 8
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -138.550212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.550212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.550212 (E_RNA)
where:
Base-Base interactions energy: -95.930
where: short stacking energy: -39.167
Base-Backbone interact. energy: -2.092
local terms energy: -40.528221
where:
bonds (distance) C4'-P energy: -8.872
bonds (distance) P-C4' energy: -8.104
flat angles C4'-P-C4' energy: -9.189
flat angles P-C4'-P energy: -6.990
tors. eta vs tors. theta energy: -7.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -142.637573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.637573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.637573 (E_RNA)
where:
Base-Base interactions energy: -96.193
where: short stacking energy: -45.378
Base-Backbone interact. energy: -0.922
local terms energy: -45.522677
where:
bonds (distance) C4'-P energy: -9.229
bonds (distance) P-C4' energy: -9.365
flat angles C4'-P-C4' energy: -10.710
flat angles P-C4'-P energy: -6.599
tors. eta vs tors. theta energy: -9.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -142.908497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.908497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.908497 (E_RNA)
where:
Base-Base interactions energy: -96.917
where: short stacking energy: -46.810
Base-Backbone interact. energy: -0.136
local terms energy: -45.855442
where:
bonds (distance) C4'-P energy: -9.585
bonds (distance) P-C4' energy: -9.471
flat angles C4'-P-C4' energy: -8.300
flat angles P-C4'-P energy: -7.553
tors. eta vs tors. theta energy: -10.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -136.578450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.578450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.578450 (E_RNA)
where:
Base-Base interactions energy: -94.462
where: short stacking energy: -45.307
Base-Backbone interact. energy: -0.280
local terms energy: -41.837102
where:
bonds (distance) C4'-P energy: -6.832
bonds (distance) P-C4' energy: -10.091
flat angles C4'-P-C4' energy: -9.890
flat angles P-C4'-P energy: -4.545
tors. eta vs tors. theta energy: -10.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -139.222621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.222621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.222621 (E_RNA)
where:
Base-Base interactions energy: -98.759
where: short stacking energy: -46.435
Base-Backbone interact. energy: -0.103
local terms energy: -40.360602
where:
bonds (distance) C4'-P energy: -9.014
bonds (distance) P-C4' energy: -9.067
flat angles C4'-P-C4' energy: -8.934
flat angles P-C4'-P energy: -3.401
tors. eta vs tors. theta energy: -9.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -131.388512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.388512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.388512 (E_RNA)
where:
Base-Base interactions energy: -89.662
where: short stacking energy: -39.091
Base-Backbone interact. energy: -0.006
local terms energy: -41.719722
where:
bonds (distance) C4'-P energy: -7.539
bonds (distance) P-C4' energy: -10.575
flat angles C4'-P-C4' energy: -8.580
flat angles P-C4'-P energy: -6.169
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: 7, replica: 3
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -131.885046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.885046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.885046 (E_RNA)
where:
Base-Base interactions energy: -86.248
where: short stacking energy: -40.893
Base-Backbone interact. energy: -0.588
local terms energy: -45.049440
where:
bonds (distance) C4'-P energy: -8.662
bonds (distance) P-C4' energy: -10.221
flat angles C4'-P-C4' energy: -9.172
flat angles P-C4'-P energy: -7.207
tors. eta vs tors. theta energy: -9.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -65.099941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.099941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.099941 (E_RNA)
where:
Base-Base interactions energy: -27.730
where: short stacking energy: -27.730
Base-Backbone interact. energy: -0.110
local terms energy: -37.259662
where:
bonds (distance) C4'-P energy: -9.449
bonds (distance) P-C4' energy: -9.803
flat angles C4'-P-C4' energy: -6.794
flat angles P-C4'-P energy: -6.550
tors. eta vs tors. theta energy: -4.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -121.477503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.477503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.477503 (E_RNA)
where:
Base-Base interactions energy: -84.405
where: short stacking energy: -34.512
Base-Backbone interact. energy: 0.933
local terms energy: -38.005801
where:
bonds (distance) C4'-P energy: -5.544
bonds (distance) P-C4' energy: -10.855
flat angles C4'-P-C4' energy: -7.824
flat angles P-C4'-P energy: -5.961
tors. eta vs tors. theta energy: -7.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -55.995380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.995380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.995380 (E_RNA)
where:
Base-Base interactions energy: -26.538
where: short stacking energy: -20.349
Base-Backbone interact. energy: -0.124
local terms energy: -29.333737
where:
bonds (distance) C4'-P energy: -8.429
bonds (distance) P-C4' energy: -10.870
flat angles C4'-P-C4' energy: -7.747
flat angles P-C4'-P energy: -5.616
tors. eta vs tors. theta energy: 3.329
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: 10
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -142.671270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.671270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.671270 (E_RNA)
where:
Base-Base interactions energy: -95.861
where: short stacking energy: -45.915
Base-Backbone interact. energy: -0.003
local terms energy: -46.807241
where:
bonds (distance) C4'-P energy: -10.649
bonds (distance) P-C4' energy: -7.221
flat angles C4'-P-C4' energy: -10.372
flat angles P-C4'-P energy: -7.583
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: 2, replica: 8
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -131.469206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.469206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.469206 (E_RNA)
where:
Base-Base interactions energy: -86.160
where: short stacking energy: -35.914
Base-Backbone interact. energy: -1.103
local terms energy: -44.206613
where:
bonds (distance) C4'-P energy: -8.542
bonds (distance) P-C4' energy: -9.569
flat angles C4'-P-C4' energy: -9.603
flat angles P-C4'-P energy: -6.870
tors. eta vs tors. theta energy: -9.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -142.856337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.856337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.856337 (E_RNA)
where:
Base-Base interactions energy: -93.807
where: short stacking energy: -43.182
Base-Backbone interact. energy: -1.353
local terms energy: -47.696966
where:
bonds (distance) C4'-P energy: -7.718
bonds (distance) P-C4' energy: -10.582
flat angles C4'-P-C4' energy: -10.307
flat angles P-C4'-P energy: -8.296
tors. eta vs tors. theta energy: -10.794
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: 4, replica: 5
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -136.598447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.598447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.598447 (E_RNA)
where:
Base-Base interactions energy: -91.816
where: short stacking energy: -40.046
Base-Backbone interact. energy: -1.725
local terms energy: -43.057299
where:
bonds (distance) C4'-P energy: -7.623
bonds (distance) P-C4' energy: -9.107
flat angles C4'-P-C4' energy: -7.581
flat angles P-C4'-P energy: -7.541
tors. eta vs tors. theta energy: -11.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -134.931469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.931469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.931469 (E_RNA)
where:
Base-Base interactions energy: -88.046
where: short stacking energy: -40.836
Base-Backbone interact. energy: -0.031
local terms energy: -46.854648
where:
bonds (distance) C4'-P energy: -8.493
bonds (distance) P-C4' energy: -10.172
flat angles C4'-P-C4' energy: -9.458
flat angles P-C4'-P energy: -7.551
tors. eta vs tors. theta energy: -11.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -134.612005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.612005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.612005 (E_RNA)
where:
Base-Base interactions energy: -100.500
where: short stacking energy: -40.692
Base-Backbone interact. energy: -0.476
local terms energy: -33.635695
where:
bonds (distance) C4'-P energy: -9.283
bonds (distance) P-C4' energy: -9.553
flat angles C4'-P-C4' energy: -4.846
flat angles P-C4'-P energy: -0.413
tors. eta vs tors. theta energy: -9.541
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: 3
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -131.643488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.643488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.643488 (E_RNA)
where:
Base-Base interactions energy: -96.398
where: short stacking energy: -38.846
Base-Backbone interact. energy: 2.665
local terms energy: -37.909646
where:
bonds (distance) C4'-P energy: -5.812
bonds (distance) P-C4' energy: -9.671
flat angles C4'-P-C4' energy: -10.131
flat angles P-C4'-P energy: -3.745
tors. eta vs tors. theta energy: -8.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -62.253945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.253945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.253945 (E_RNA)
where:
Base-Base interactions energy: -27.727
where: short stacking energy: -18.879
Base-Backbone interact. energy: -0.141
local terms energy: -34.385746
where:
bonds (distance) C4'-P energy: -7.287
bonds (distance) P-C4' energy: -10.838
flat angles C4'-P-C4' energy: -9.474
flat angles P-C4'-P energy: -6.236
tors. eta vs tors. theta energy: -0.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -109.856359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.856359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.856359 (E_RNA)
where:
Base-Base interactions energy: -76.657
where: short stacking energy: -31.470
Base-Backbone interact. energy: -0.008
local terms energy: -33.192007
where:
bonds (distance) C4'-P energy: -6.593
bonds (distance) P-C4' energy: -7.513
flat angles C4'-P-C4' energy: -9.943
flat angles P-C4'-P energy: -1.441
tors. eta vs tors. theta energy: -7.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -54.754623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.754623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.754623 (E_RNA)
where:
Base-Base interactions energy: -25.643
where: short stacking energy: -9.922
Base-Backbone interact. energy: -0.037
local terms energy: -29.074526
where:
bonds (distance) C4'-P energy: -9.415
bonds (distance) P-C4' energy: -7.610
flat angles C4'-P-C4' energy: -8.072
flat angles P-C4'-P energy: -7.496
tors. eta vs tors. theta energy: 3.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -153.262755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.262755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.262755 (E_RNA)
where:
Base-Base interactions energy: -114.230
where: short stacking energy: -45.542
Base-Backbone interact. energy: -0.042
local terms energy: -38.990663
where:
bonds (distance) C4'-P energy: -10.268
bonds (distance) P-C4' energy: -7.571
flat angles C4'-P-C4' energy: -9.488
flat angles P-C4'-P energy: -1.398
tors. eta vs tors. theta energy: -10.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -144.390148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.390148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.390148 (E_RNA)
where:
Base-Base interactions energy: -97.618
where: short stacking energy: -45.807
Base-Backbone interact. energy: -1.026
local terms energy: -45.746263
where:
bonds (distance) C4'-P energy: -9.477
bonds (distance) P-C4' energy: -9.604
flat angles C4'-P-C4' energy: -8.949
flat angles P-C4'-P energy: -7.978
tors. eta vs tors. theta energy: -9.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -139.790353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.790353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.790353 (E_RNA)
where:
Base-Base interactions energy: -95.247
where: short stacking energy: -44.818
Base-Backbone interact. energy: -0.139
local terms energy: -44.404802
where:
bonds (distance) C4'-P energy: -6.865
bonds (distance) P-C4' energy: -10.867
flat angles C4'-P-C4' energy: -7.870
flat angles P-C4'-P energy: -8.652
tors. eta vs tors. theta energy: -10.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -137.936276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.936276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.936276 (E_RNA)
where:
Base-Base interactions energy: -94.974
where: short stacking energy: -45.338
Base-Backbone interact. energy: 0.079
local terms energy: -43.041846
where:
bonds (distance) C4'-P energy: -9.130
bonds (distance) P-C4' energy: -8.263
flat angles C4'-P-C4' energy: -10.382
flat angles P-C4'-P energy: -6.907
tors. eta vs tors. theta energy: -8.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -130.097980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.097980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.097980 (E_RNA)
where:
Base-Base interactions energy: -85.543
where: short stacking energy: -37.317
Base-Backbone interact. energy: -0.944
local terms energy: -43.611568
where:
bonds (distance) C4'-P energy: -9.519
bonds (distance) P-C4' energy: -9.506
flat angles C4'-P-C4' energy: -9.832
flat angles P-C4'-P energy: -6.538
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: 3
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -135.600903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.600903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.600903 (E_RNA)
where:
Base-Base interactions energy: -93.236
where: short stacking energy: -43.026
Base-Backbone interact. energy: -0.782
local terms energy: -41.582586
where:
bonds (distance) C4'-P energy: -7.922
bonds (distance) P-C4' energy: -9.904
flat angles C4'-P-C4' energy: -9.513
flat angles P-C4'-P energy: -5.638
tors. eta vs tors. theta energy: -8.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -128.560781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.560781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.560781 (E_RNA)
where:
Base-Base interactions energy: -86.643
where: short stacking energy: -37.360
Base-Backbone interact. energy: -0.059
local terms energy: -41.859018
where:
bonds (distance) C4'-P energy: -9.697
bonds (distance) P-C4' energy: -9.242
flat angles C4'-P-C4' energy: -9.757
flat angles P-C4'-P energy: -5.526
tors. eta vs tors. theta energy: -7.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -127.363093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.363093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.363093 (E_RNA)
where:
Base-Base interactions energy: -93.979
where: short stacking energy: -36.762
Base-Backbone interact. energy: -0.119
local terms energy: -33.264649
where:
bonds (distance) C4'-P energy: -10.438
bonds (distance) P-C4' energy: -7.061
flat angles C4'-P-C4' energy: -7.523
flat angles P-C4'-P energy: 1.019
tors. eta vs tors. theta energy: -9.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -71.517444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.517444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.517444 (E_RNA)
where:
Base-Base interactions energy: -43.501
where: short stacking energy: -22.282
Base-Backbone interact. energy: -0.010
local terms energy: -28.006407
where:
bonds (distance) C4'-P energy: -3.612
bonds (distance) P-C4' energy: -9.019
flat angles C4'-P-C4' energy: -4.527
flat angles P-C4'-P energy: -8.207
tors. eta vs tors. theta energy: -2.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -52.355682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.355682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.355682 (E_RNA)
where:
Base-Base interactions energy: -19.562
where: short stacking energy: -19.562
Base-Backbone interact. energy: -0.013
local terms energy: -32.779955
where:
bonds (distance) C4'-P energy: -6.733
bonds (distance) P-C4' energy: -8.248
flat angles C4'-P-C4' energy: -7.354
flat angles P-C4'-P energy: -8.012
tors. eta vs tors. theta energy: -2.433
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: 1, replica: 4
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -144.523030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.523030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.523030 (E_RNA)
where:
Base-Base interactions energy: -98.228
where: short stacking energy: -47.638
Base-Backbone interact. energy: -0.043
local terms energy: -46.252251
where:
bonds (distance) C4'-P energy: -10.231
bonds (distance) P-C4' energy: -9.278
flat angles C4'-P-C4' energy: -10.005
flat angles P-C4'-P energy: -5.667
tors. eta vs tors. theta energy: -11.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -145.001170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.001170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.001170 (E_RNA)
where:
Base-Base interactions energy: -109.782
where: short stacking energy: -42.200
Base-Backbone interact. energy: -0.021
local terms energy: -35.198399
where:
bonds (distance) C4'-P energy: -8.311
bonds (distance) P-C4' energy: -8.910
flat angles C4'-P-C4' energy: -6.425
flat angles P-C4'-P energy: -0.886
tors. eta vs tors. theta energy: -10.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -138.369321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.369321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.369321 (E_RNA)
where:
Base-Base interactions energy: -94.251
where: short stacking energy: -42.038
Base-Backbone interact. energy: -0.231
local terms energy: -43.887154
where:
bonds (distance) C4'-P energy: -7.631
bonds (distance) P-C4' energy: -10.334
flat angles C4'-P-C4' energy: -9.025
flat angles P-C4'-P energy: -6.498
tors. eta vs tors. theta energy: -10.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -133.673656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.673656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.673656 (E_RNA)
where:
Base-Base interactions energy: -93.274
where: short stacking energy: -43.697
Base-Backbone interact. energy: -0.265
local terms energy: -40.134483
where:
bonds (distance) C4'-P energy: -9.121
bonds (distance) P-C4' energy: -7.472
flat angles C4'-P-C4' energy: -9.384
flat angles P-C4'-P energy: -6.819
tors. eta vs tors. theta energy: -7.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -135.840656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.840656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.840656 (E_RNA)
where:
Base-Base interactions energy: -94.411
where: short stacking energy: -34.464
Base-Backbone interact. energy: -0.553
local terms energy: -40.877016
where:
bonds (distance) C4'-P energy: -6.182
bonds (distance) P-C4' energy: -10.659
flat angles C4'-P-C4' energy: -9.773
flat angles P-C4'-P energy: -5.014
tors. eta vs tors. theta energy: -9.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -138.516252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.516252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.516252 (E_RNA)
where:
Base-Base interactions energy: -89.837
where: short stacking energy: -42.821
Base-Backbone interact. energy: -1.886
local terms energy: -46.793086
where:
bonds (distance) C4'-P energy: -8.331
bonds (distance) P-C4' energy: -10.140
flat angles C4'-P-C4' energy: -8.594
flat angles P-C4'-P energy: -8.284
tors. eta vs tors. theta energy: -11.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -132.216641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.216641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.216641 (E_RNA)
where:
Base-Base interactions energy: -92.708
where: short stacking energy: -43.997
Base-Backbone interact. energy: -0.535
local terms energy: -38.973713
where:
bonds (distance) C4'-P energy: -4.186
bonds (distance) P-C4' energy: -8.516
flat angles C4'-P-C4' energy: -10.101
flat angles P-C4'-P energy: -4.820
tors. eta vs tors. theta energy: -11.350
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: 8, replica: 7
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -131.153016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.153016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.153016 (E_RNA)
where:
Base-Base interactions energy: -93.398
where: short stacking energy: -44.814
Base-Backbone interact. energy: -1.492
local terms energy: -36.263129
where:
bonds (distance) C4'-P energy: -7.313
bonds (distance) P-C4' energy: -10.098
flat angles C4'-P-C4' energy: -5.518
flat angles P-C4'-P energy: -5.853
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: 300
Temperature: 1.300000
Total energy: -65.033619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.033619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.033619 (E_RNA)
where:
Base-Base interactions energy: -29.201
where: short stacking energy: -24.058
Base-Backbone interact. energy: 0.166
local terms energy: -35.998753
where:
bonds (distance) C4'-P energy: -10.276
bonds (distance) P-C4' energy: -10.168
flat angles C4'-P-C4' energy: -8.440
flat angles P-C4'-P energy: -3.263
tors. eta vs tors. theta energy: -3.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -62.050813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.050813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.050813 (E_RNA)
where:
Base-Base interactions energy: -28.472
where: short stacking energy: -28.472
Base-Backbone interact. energy: -0.003
local terms energy: -33.575730
where:
bonds (distance) C4'-P energy: -8.115
bonds (distance) P-C4' energy: -7.579
flat angles C4'-P-C4' energy: -6.356
flat angles P-C4'-P energy: -6.150
tors. eta vs tors. theta energy: -5.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -141.260496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.260496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.260496 (E_RNA)
where:
Base-Base interactions energy: -96.694
where: short stacking energy: -44.413
Base-Backbone interact. energy: -0.346
local terms energy: -44.220957
where:
bonds (distance) C4'-P energy: -6.691
bonds (distance) P-C4' energy: -9.805
flat angles C4'-P-C4' energy: -9.726
flat angles P-C4'-P energy: -7.250
tors. eta vs tors. theta energy: -10.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -141.646088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.646088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.646088 (E_RNA)
where:
Base-Base interactions energy: -96.058
where: short stacking energy: -44.600
Base-Backbone interact. energy: -1.542
local terms energy: -44.046355
where:
bonds (distance) C4'-P energy: -9.937
bonds (distance) P-C4' energy: -9.960
flat angles C4'-P-C4' energy: -10.041
flat angles P-C4'-P energy: -4.543
tors. eta vs tors. theta energy: -9.564
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: 10
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -135.952387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.952387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.952387 (E_RNA)
where:
Base-Base interactions energy: -86.624
where: short stacking energy: -42.115
Base-Backbone interact. energy: -1.827
local terms energy: -47.501690
where:
bonds (distance) C4'-P energy: -9.735
bonds (distance) P-C4' energy: -10.000
flat angles C4'-P-C4' energy: -9.690
flat angles P-C4'-P energy: -6.210
tors. eta vs tors. theta energy: -11.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -142.353468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.353468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.353468 (E_RNA)
where:
Base-Base interactions energy: -98.741
where: short stacking energy: -46.178
Base-Backbone interact. energy: -0.904
local terms energy: -42.708618
where:
bonds (distance) C4'-P energy: -7.142
bonds (distance) P-C4' energy: -7.970
flat angles C4'-P-C4' energy: -10.139
flat angles P-C4'-P energy: -7.897
tors. eta vs tors. theta energy: -9.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -129.169999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.169999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.169999 (E_RNA)
where:
Base-Base interactions energy: -86.975
where: short stacking energy: -39.342
Base-Backbone interact. energy: -0.010
local terms energy: -42.185489
where:
bonds (distance) C4'-P energy: -6.513
bonds (distance) P-C4' energy: -10.137
flat angles C4'-P-C4' energy: -10.120
flat angles P-C4'-P energy: -5.217
tors. eta vs tors. theta energy: -10.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -132.542723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.542723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.542723 (E_RNA)
where:
Base-Base interactions energy: -92.012
where: short stacking energy: -38.866
Base-Backbone interact. energy: -0.388
local terms energy: -40.143430
where:
bonds (distance) C4'-P energy: -8.531
bonds (distance) P-C4' energy: -9.352
flat angles C4'-P-C4' energy: -7.130
flat angles P-C4'-P energy: -5.466
tors. eta vs tors. theta energy: -9.664
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: 5
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -127.160441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.160441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.160441 (E_RNA)
where:
Base-Base interactions energy: -90.985
where: short stacking energy: -38.663
Base-Backbone interact. energy: -0.032
local terms energy: -36.143476
where:
bonds (distance) C4'-P energy: -7.076
bonds (distance) P-C4' energy: -8.753
flat angles C4'-P-C4' energy: -8.861
flat angles P-C4'-P energy: -4.805
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: 8, replica: 7
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -126.510029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.510029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.510029 (E_RNA)
where:
Base-Base interactions energy: -83.998
where: short stacking energy: -35.241
Base-Backbone interact. energy: -0.124
local terms energy: -42.388125
where:
bonds (distance) C4'-P energy: -8.712
bonds (distance) P-C4' energy: -9.997
flat angles C4'-P-C4' energy: -8.873
flat angles P-C4'-P energy: -5.312
tors. eta vs tors. theta energy: -9.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -58.660887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.660887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.660887 (E_RNA)
where:
Base-Base interactions energy: -27.146
where: short stacking energy: -27.146
Base-Backbone interact. energy: 2.509
local terms energy: -34.023781
where:
bonds (distance) C4'-P energy: -8.621
bonds (distance) P-C4' energy: -8.647
flat angles C4'-P-C4' energy: -7.036
flat angles P-C4'-P energy: -3.006
tors. eta vs tors. theta energy: -6.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -58.980065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.980065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.980065 (E_RNA)
where:
Base-Base interactions energy: -28.660
where: short stacking energy: -27.827
Base-Backbone interact. energy: -0.059
local terms energy: -30.261755
where:
bonds (distance) C4'-P energy: -5.271
bonds (distance) P-C4' energy: -7.734
flat angles C4'-P-C4' energy: -7.741
flat angles P-C4'-P energy: -2.462
tors. eta vs tors. theta energy: -7.054
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: 4
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -138.482346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.482346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.482346 (E_RNA)
where:
Base-Base interactions energy: -96.430
where: short stacking energy: -44.988
Base-Backbone interact. energy: -0.604
local terms energy: -41.449073
where:
bonds (distance) C4'-P energy: -6.311
bonds (distance) P-C4' energy: -10.582
flat angles C4'-P-C4' energy: -8.869
flat angles P-C4'-P energy: -5.534
tors. eta vs tors. theta energy: -10.154
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: 9
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -142.216105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.216105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.216105 (E_RNA)
where:
Base-Base interactions energy: -99.372
where: short stacking energy: -45.297
Base-Backbone interact. energy: -0.400
local terms energy: -42.444215
where:
bonds (distance) C4'-P energy: -6.902
bonds (distance) P-C4' energy: -9.588
flat angles C4'-P-C4' energy: -8.736
flat angles P-C4'-P energy: -6.581
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: 10
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -135.713270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.713270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.713270 (E_RNA)
where:
Base-Base interactions energy: -95.696
where: short stacking energy: -37.369
Base-Backbone interact. energy: -0.003
local terms energy: -40.014500
where:
bonds (distance) C4'-P energy: -6.679
bonds (distance) P-C4' energy: -9.221
flat angles C4'-P-C4' energy: -8.204
flat angles P-C4'-P energy: -8.415
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: 4, replica: 3
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -140.719559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.719559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.719559 (E_RNA)
where:
Base-Base interactions energy: -96.206
where: short stacking energy: -34.632
Base-Backbone interact. energy: -0.165
local terms energy: -44.348657
where:
bonds (distance) C4'-P energy: -10.161
bonds (distance) P-C4' energy: -10.641
flat angles C4'-P-C4' energy: -10.103
flat angles P-C4'-P energy: -5.866
tors. eta vs tors. theta energy: -7.578
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: 1
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -135.961641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.961641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.961641 (E_RNA)
where:
Base-Base interactions energy: -92.051
where: short stacking energy: -43.781
Base-Backbone interact. energy: -1.420
local terms energy: -42.490458
where:
bonds (distance) C4'-P energy: -7.515
bonds (distance) P-C4' energy: -9.929
flat angles C4'-P-C4' energy: -8.904
flat angles P-C4'-P energy: -6.143
tors. eta vs tors. theta energy: -10.000
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: 8
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -131.258726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.258726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.258726 (E_RNA)
where:
Base-Base interactions energy: -92.519
where: short stacking energy: -43.217
Base-Backbone interact. energy: -1.599
local terms energy: -37.140077
where:
bonds (distance) C4'-P energy: -4.343
bonds (distance) P-C4' energy: -10.828
flat angles C4'-P-C4' energy: -7.009
flat angles P-C4'-P energy: -6.642
tors. eta vs tors. theta energy: -8.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -132.494624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.494624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.494624 (E_RNA)
where:
Base-Base interactions energy: -90.671
where: short stacking energy: -44.792
Base-Backbone interact. energy: -1.659
local terms energy: -40.163994
where:
bonds (distance) C4'-P energy: -5.797
bonds (distance) P-C4' energy: -8.401
flat angles C4'-P-C4' energy: -7.441
flat angles P-C4'-P energy: -7.386
tors. eta vs tors. theta energy: -11.140
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: 7
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -125.948369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.948369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.948369 (E_RNA)
where:
Base-Base interactions energy: -86.336
where: short stacking energy: -35.932
Base-Backbone interact. energy: -0.600
local terms energy: -39.012029
where:
bonds (distance) C4'-P energy: -10.053
bonds (distance) P-C4' energy: -10.331
flat angles C4'-P-C4' energy: -9.738
flat angles P-C4'-P energy: -3.940
tors. eta vs tors. theta energy: -4.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -69.335251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.335251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.335251 (E_RNA)
where:
Base-Base interactions energy: -36.306
where: short stacking energy: -17.639
Base-Backbone interact. energy: 1.281
local terms energy: -34.310258
where:
bonds (distance) C4'-P energy: -9.673
bonds (distance) P-C4' energy: -10.063
flat angles C4'-P-C4' energy: -7.869
flat angles P-C4'-P energy: -4.922
tors. eta vs tors. theta energy: -1.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -67.626632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.626632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.626632 (E_RNA)
where:
Base-Base interactions energy: -31.714
where: short stacking energy: -24.020
Base-Backbone interact. energy: -0.009
local terms energy: -35.904168
where:
bonds (distance) C4'-P energy: -9.627
bonds (distance) P-C4' energy: -10.609
flat angles C4'-P-C4' energy: -7.249
flat angles P-C4'-P energy: -4.310
tors. eta vs tors. theta energy: -4.109
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: 4
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -143.306858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.306858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.306858 (E_RNA)
where:
Base-Base interactions energy: -95.608
where: short stacking energy: -43.250
Base-Backbone interact. energy: -1.782
local terms energy: -45.916750
where:
bonds (distance) C4'-P energy: -9.581
bonds (distance) P-C4' energy: -8.833
flat angles C4'-P-C4' energy: -9.181
flat angles P-C4'-P energy: -7.361
tors. eta vs tors. theta energy: -10.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -136.093810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.093810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.093810 (E_RNA)
where:
Base-Base interactions energy: -98.237
where: short stacking energy: -42.015
Base-Backbone interact. energy: -0.233
local terms energy: -37.623059
where:
bonds (distance) C4'-P energy: -7.838
bonds (distance) P-C4' energy: -8.830
flat angles C4'-P-C4' energy: -9.214
flat angles P-C4'-P energy: -6.288
tors. eta vs tors. theta energy: -5.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -137.705863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.705863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.705863 (E_RNA)
where:
Base-Base interactions energy: -91.573
where: short stacking energy: -42.741
Base-Backbone interact. energy: -0.455
local terms energy: -45.678733
where:
bonds (distance) C4'-P energy: -9.369
bonds (distance) P-C4' energy: -7.357
flat angles C4'-P-C4' energy: -9.878
flat angles P-C4'-P energy: -8.517
tors. eta vs tors. theta energy: -10.558
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: 1
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -135.118185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.118185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.118185 (E_RNA)
where:
Base-Base interactions energy: -91.196
where: short stacking energy: -43.812
Base-Backbone interact. energy: -0.286
local terms energy: -43.636614
where:
bonds (distance) C4'-P energy: -7.222
bonds (distance) P-C4' energy: -10.426
flat angles C4'-P-C4' energy: -9.991
flat angles P-C4'-P energy: -5.182
tors. eta vs tors. theta energy: -10.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -131.437822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.437822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.437822 (E_RNA)
where:
Base-Base interactions energy: -89.934
where: short stacking energy: -39.646
Base-Backbone interact. energy: -0.101
local terms energy: -41.402825
where:
bonds (distance) C4'-P energy: -8.683
bonds (distance) P-C4' energy: -7.942
flat angles C4'-P-C4' energy: -9.328
flat angles P-C4'-P energy: -6.890
tors. eta vs tors. theta energy: -8.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -130.731560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.731560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.731560 (E_RNA)
where:
Base-Base interactions energy: -90.607
where: short stacking energy: -41.993
Base-Backbone interact. energy: 0.201
local terms energy: -40.325743
where:
bonds (distance) C4'-P energy: -7.238
bonds (distance) P-C4' energy: -8.801
flat angles C4'-P-C4' energy: -10.392
flat angles P-C4'-P energy: -4.373
tors. eta vs tors. theta energy: -9.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -127.391621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.391621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.391621 (E_RNA)
where:
Base-Base interactions energy: -86.800
where: short stacking energy: -39.823
Base-Backbone interact. energy: -0.033
local terms energy: -40.559323
where:
bonds (distance) C4'-P energy: -9.200
bonds (distance) P-C4' energy: -8.936
flat angles C4'-P-C4' energy: -9.464
flat angles P-C4'-P energy: -4.911
tors. eta vs tors. theta energy: -8.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -128.470192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.470192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.470192 (E_RNA)
where:
Base-Base interactions energy: -88.353
where: short stacking energy: -39.890
Base-Backbone interact. energy: -0.006
local terms energy: -40.111565
where:
bonds (distance) C4'-P energy: -8.409
bonds (distance) P-C4' energy: -10.324
flat angles C4'-P-C4' energy: -7.946
flat angles P-C4'-P energy: -5.022
tors. eta vs tors. theta energy: -8.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -67.634711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.634711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.634711 (E_RNA)
where:
Base-Base interactions energy: -30.445
where: short stacking energy: -30.445
Base-Backbone interact. energy: -0.001
local terms energy: -37.188851
where:
bonds (distance) C4'-P energy: -7.470
bonds (distance) P-C4' energy: -7.448
flat angles C4'-P-C4' energy: -10.440
flat angles P-C4'-P energy: -6.405
tors. eta vs tors. theta energy: -5.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -64.966469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.966469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.966469 (E_RNA)
where:
Base-Base interactions energy: -37.726
where: short stacking energy: -19.587
Base-Backbone interact. energy: 1.364
local terms energy: -28.604675
where:
bonds (distance) C4'-P energy: -7.486
bonds (distance) P-C4' energy: -10.186
flat angles C4'-P-C4' energy: -3.927
flat angles P-C4'-P energy: -3.851
tors. eta vs tors. theta energy: -3.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -136.665027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.665027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.665027 (E_RNA)
where:
Base-Base interactions energy: -94.549
where: short stacking energy: -43.517
Base-Backbone interact. energy: -0.598
local terms energy: -41.517987
where:
bonds (distance) C4'-P energy: -9.378
bonds (distance) P-C4' energy: -9.084
flat angles C4'-P-C4' energy: -7.815
flat angles P-C4'-P energy: -5.723
tors. eta vs tors. theta energy: -9.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -140.033927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.033927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.033927 (E_RNA)
where:
Base-Base interactions energy: -100.207
where: short stacking energy: -35.936
Base-Backbone interact. energy: 0.694
local terms energy: -40.521122
where:
bonds (distance) C4'-P energy: -7.656
bonds (distance) P-C4' energy: -10.225
flat angles C4'-P-C4' energy: -9.050
flat angles P-C4'-P energy: -5.494
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: 3, replica: 9
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -137.355540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.355540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.355540 (E_RNA)
where:
Base-Base interactions energy: -94.599
where: short stacking energy: -44.604
Base-Backbone interact. energy: -0.143
local terms energy: -42.613798
where:
bonds (distance) C4'-P energy: -8.235
bonds (distance) P-C4' energy: -9.950
flat angles C4'-P-C4' energy: -7.812
flat angles P-C4'-P energy: -5.660
tors. eta vs tors. theta energy: -10.957
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: 4, replica: 1
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -139.002161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.002161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.002161 (E_RNA)
where:
Base-Base interactions energy: -98.718
where: short stacking energy: -39.137
Base-Backbone interact. energy: -0.000
local terms energy: -40.283770
where:
bonds (distance) C4'-P energy: -6.335
bonds (distance) P-C4' energy: -11.085
flat angles C4'-P-C4' energy: -10.458
flat angles P-C4'-P energy: -2.146
tors. eta vs tors. theta energy: -10.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -130.550895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.550895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.550895 (E_RNA)
where:
Base-Base interactions energy: -87.326
where: short stacking energy: -35.331
Base-Backbone interact. energy: -0.572
local terms energy: -42.653058
where:
bonds (distance) C4'-P energy: -9.362
bonds (distance) P-C4' energy: -10.365
flat angles C4'-P-C4' energy: -8.743
flat angles P-C4'-P energy: -6.303
tors. eta vs tors. theta energy: -7.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -139.937006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.937006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.937006 (E_RNA)
where:
Base-Base interactions energy: -102.220
where: short stacking energy: -41.526
Base-Backbone interact. energy: -0.014
local terms energy: -37.703118
where:
bonds (distance) C4'-P energy: -6.095
bonds (distance) P-C4' energy: -8.753
flat angles C4'-P-C4' energy: -9.339
flat angles P-C4'-P energy: -3.308
tors. eta vs tors. theta energy: -10.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -126.729676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.729676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.729676 (E_RNA)
where:
Base-Base interactions energy: -88.355
where: short stacking energy: -40.714
Base-Backbone interact. energy: -1.148
local terms energy: -37.226906
where:
bonds (distance) C4'-P energy: -7.292
bonds (distance) P-C4' energy: -9.342
flat angles C4'-P-C4' energy: -7.859
flat angles P-C4'-P energy: -4.704
tors. eta vs tors. theta energy: -8.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -124.912770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.912770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.912770 (E_RNA)
where:
Base-Base interactions energy: -89.339
where: short stacking energy: -39.434
Base-Backbone interact. energy: -0.057
local terms energy: -35.516786
where:
bonds (distance) C4'-P energy: -5.570
bonds (distance) P-C4' energy: -5.252
flat angles C4'-P-C4' energy: -9.374
flat angles P-C4'-P energy: -7.471
tors. eta vs tors. theta energy: -7.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -67.510846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.510846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.510846 (E_RNA)
where:
Base-Base interactions energy: -35.969
where: short stacking energy: -25.830
Base-Backbone interact. energy: -0.122
local terms energy: -31.420256
where:
bonds (distance) C4'-P energy: -3.748
bonds (distance) P-C4' energy: -10.855
flat angles C4'-P-C4' energy: -7.752
flat angles P-C4'-P energy: -2.259
tors. eta vs tors. theta energy: -6.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -49.786320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.786320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.786320 (E_RNA)
where:
Base-Base interactions energy: -23.782
where: short stacking energy: -9.461
Base-Backbone interact. energy: 0.425
local terms energy: -26.429504
where:
bonds (distance) C4'-P energy: -6.492
bonds (distance) P-C4' energy: -9.803
flat angles C4'-P-C4' energy: -6.944
flat angles P-C4'-P energy: -2.762
tors. eta vs tors. theta energy: -0.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -141.845430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.845430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.845430 (E_RNA)
where:
Base-Base interactions energy: -94.826
where: short stacking energy: -46.259
Base-Backbone interact. energy: -1.157
local terms energy: -45.862501
where:
bonds (distance) C4'-P energy: -10.765
bonds (distance) P-C4' energy: -11.597
flat angles C4'-P-C4' energy: -6.194
flat angles P-C4'-P energy: -7.414
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: 2, replica: 10
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -137.684372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.684372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.684372 (E_RNA)
where:
Base-Base interactions energy: -94.661
where: short stacking energy: -47.405
Base-Backbone interact. energy: -0.547
local terms energy: -42.475917
where:
bonds (distance) C4'-P energy: -7.835
bonds (distance) P-C4' energy: -7.851
flat angles C4'-P-C4' energy: -10.107
flat angles P-C4'-P energy: -6.842
tors. eta vs tors. theta energy: -9.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -141.338276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.338276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.338276 (E_RNA)
where:
Base-Base interactions energy: -96.352
where: short stacking energy: -45.474
Base-Backbone interact. energy: -1.387
local terms energy: -43.598736
where:
bonds (distance) C4'-P energy: -8.749
bonds (distance) P-C4' energy: -10.433
flat angles C4'-P-C4' energy: -10.010
flat angles P-C4'-P energy: -4.910
tors. eta vs tors. theta energy: -9.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -138.919309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.919309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.919309 (E_RNA)
where:
Base-Base interactions energy: -92.234
where: short stacking energy: -39.389
Base-Backbone interact. energy: 0.338
local terms energy: -47.023330
where:
bonds (distance) C4'-P energy: -10.508
bonds (distance) P-C4' energy: -11.085
flat angles C4'-P-C4' energy: -9.091
flat angles P-C4'-P energy: -7.288
tors. eta vs tors. theta energy: -9.052
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: 5, replica: 1
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -135.674209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.674209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.674209 (E_RNA)
where:
Base-Base interactions energy: -98.499
where: short stacking energy: -46.113
Base-Backbone interact. energy: -0.241
local terms energy: -36.934603
where:
bonds (distance) C4'-P energy: -4.954
bonds (distance) P-C4' energy: -9.280
flat angles C4'-P-C4' energy: -7.525
flat angles P-C4'-P energy: -4.740
tors. eta vs tors. theta energy: -10.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -126.752084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.752084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.752084 (E_RNA)
where:
Base-Base interactions energy: -89.198
where: short stacking energy: -33.389
Base-Backbone interact. energy: -0.221
local terms energy: -37.333400
where:
bonds (distance) C4'-P energy: -8.633
bonds (distance) P-C4' energy: -7.714
flat angles C4'-P-C4' energy: -8.493
flat angles P-C4'-P energy: -6.077
tors. eta vs tors. theta energy: -6.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -132.494981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.494981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.494981 (E_RNA)
where:
Base-Base interactions energy: -87.719
where: short stacking energy: -39.269
Base-Backbone interact. energy: -0.018
local terms energy: -44.758643
where:
bonds (distance) C4'-P energy: -8.123
bonds (distance) P-C4' energy: -8.640
flat angles C4'-P-C4' energy: -11.119
flat angles P-C4'-P energy: -7.772
tors. eta vs tors. theta energy: -9.104
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: 2
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -121.805845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.805845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.805845 (E_RNA)
where:
Base-Base interactions energy: -80.765
where: short stacking energy: -36.700
Base-Backbone interact. energy: -1.196
local terms energy: -39.844997
where:
bonds (distance) C4'-P energy: -9.929
bonds (distance) P-C4' energy: -9.153
flat angles C4'-P-C4' energy: -6.408
flat angles P-C4'-P energy: -5.474
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: 9, replica: 5
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -124.551852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.551852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.551852 (E_RNA)
where:
Base-Base interactions energy: -85.844
where: short stacking energy: -39.582
Base-Backbone interact. energy: -1.384
local terms energy: -37.324286
where:
bonds (distance) C4'-P energy: -6.111
bonds (distance) P-C4' energy: -7.550
flat angles C4'-P-C4' energy: -7.420
flat angles P-C4'-P energy: -7.674
tors. eta vs tors. theta energy: -8.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -63.380240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.380240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.380240 (E_RNA)
where:
Base-Base interactions energy: -30.449
where: short stacking energy: -30.449
Base-Backbone interact. energy: -0.034
local terms energy: -32.897906
where:
bonds (distance) C4'-P energy: -8.455
bonds (distance) P-C4' energy: -7.689
flat angles C4'-P-C4' energy: -8.571
flat angles P-C4'-P energy: -2.692
tors. eta vs tors. theta energy: -5.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -134.973645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.973645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.973645 (E_RNA)
where:
Base-Base interactions energy: -90.716
where: short stacking energy: -44.420
Base-Backbone interact. energy: -0.003
local terms energy: -44.254475
where:
bonds (distance) C4'-P energy: -8.091
bonds (distance) P-C4' energy: -9.932
flat angles C4'-P-C4' energy: -9.213
flat angles P-C4'-P energy: -6.863
tors. eta vs tors. theta energy: -10.154
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: 306
Temperature: 0.950000
Total energy: -142.105288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.105288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.105288 (E_RNA)
where:
Base-Base interactions energy: -95.327
where: short stacking energy: -45.187
Base-Backbone interact. energy: -2.025
local terms energy: -44.752822
where:
bonds (distance) C4'-P energy: -10.214
bonds (distance) P-C4' energy: -6.805
flat angles C4'-P-C4' energy: -9.838
flat angles P-C4'-P energy: -8.230
tors. eta vs tors. theta energy: -9.665
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: 8
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -140.703063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.703063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.703063 (E_RNA)
where:
Base-Base interactions energy: -97.190
where: short stacking energy: -45.326
Base-Backbone interact. energy: -1.106
local terms energy: -42.406942
where:
bonds (distance) C4'-P energy: -5.230
bonds (distance) P-C4' energy: -9.094
flat angles C4'-P-C4' energy: -8.997
flat angles P-C4'-P energy: -7.899
tors. eta vs tors. theta energy: -11.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -130.809817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.809817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.809817 (E_RNA)
where:
Base-Base interactions energy: -94.260
where: short stacking energy: -38.591
Base-Backbone interact. energy: -0.013
local terms energy: -36.536909
where:
bonds (distance) C4'-P energy: -6.422
bonds (distance) P-C4' energy: -7.640
flat angles C4'-P-C4' energy: -9.324
flat angles P-C4'-P energy: -5.961
tors. eta vs tors. theta energy: -7.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -133.862963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.862963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.862963 (E_RNA)
where:
Base-Base interactions energy: -94.908
where: short stacking energy: -43.729
Base-Backbone interact. energy: -1.007
local terms energy: -37.948283
where:
bonds (distance) C4'-P energy: -9.030
bonds (distance) P-C4' energy: -3.832
flat angles C4'-P-C4' energy: -8.221
flat angles P-C4'-P energy: -7.143
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: 6, replica: 7
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -133.048475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.048475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.048475 (E_RNA)
where:
Base-Base interactions energy: -92.126
where: short stacking energy: -41.139
Base-Backbone interact. energy: -0.188
local terms energy: -40.734078
where:
bonds (distance) C4'-P energy: -6.608
bonds (distance) P-C4' energy: -9.588
flat angles C4'-P-C4' energy: -7.479
flat angles P-C4'-P energy: -8.228
tors. eta vs tors. theta energy: -8.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -128.215086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.215086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.215086 (E_RNA)
where:
Base-Base interactions energy: -87.072
where: short stacking energy: -39.975
Base-Backbone interact. energy: -0.001
local terms energy: -41.142329
where:
bonds (distance) C4'-P energy: -9.494
bonds (distance) P-C4' energy: -10.165
flat angles C4'-P-C4' energy: -10.063
flat angles P-C4'-P energy: -1.728
tors. eta vs tors. theta energy: -9.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -124.297729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.297729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.297729 (E_RNA)
where:
Base-Base interactions energy: -83.819
where: short stacking energy: -36.152
Base-Backbone interact. energy: -0.522
local terms energy: -39.955837
where:
bonds (distance) C4'-P energy: -6.998
bonds (distance) P-C4' energy: -11.128
flat angles C4'-P-C4' energy: -10.353
flat angles P-C4'-P energy: -5.346
tors. eta vs tors. theta energy: -6.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -120.461332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.461332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.461332 (E_RNA)
where:
Base-Base interactions energy: -82.893
where: short stacking energy: -36.006
Base-Backbone interact. energy: -1.411
local terms energy: -36.157585
where:
bonds (distance) C4'-P energy: -6.750
bonds (distance) P-C4' energy: -7.819
flat angles C4'-P-C4' energy: -7.855
flat angles P-C4'-P energy: -6.755
tors. eta vs tors. theta energy: -6.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -70.344075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.344075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.344075 (E_RNA)
where:
Base-Base interactions energy: -45.541
where: short stacking energy: -27.134
Base-Backbone interact. energy: -0.259
local terms energy: -24.543611
where:
bonds (distance) C4'-P energy: -5.645
bonds (distance) P-C4' energy: -9.481
flat angles C4'-P-C4' energy: -4.570
flat angles P-C4'-P energy: -3.430
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: 10
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -141.513079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.513079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.513079 (E_RNA)
where:
Base-Base interactions energy: -92.574
where: short stacking energy: -43.633
Base-Backbone interact. energy: -0.203
local terms energy: -48.736218
where:
bonds (distance) C4'-P energy: -10.810
bonds (distance) P-C4' energy: -10.352
flat angles C4'-P-C4' energy: -9.519
flat angles P-C4'-P energy: -8.505
tors. eta vs tors. theta energy: -9.550
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: 8
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -134.583346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.583346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.583346 (E_RNA)
where:
Base-Base interactions energy: -90.681
where: short stacking energy: -42.450
Base-Backbone interact. energy: -0.707
local terms energy: -43.195573
where:
bonds (distance) C4'-P energy: -9.547
bonds (distance) P-C4' energy: -8.524
flat angles C4'-P-C4' energy: -9.128
flat angles P-C4'-P energy: -6.363
tors. eta vs tors. theta energy: -9.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -137.384161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.384161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.384161 (E_RNA)
where:
Base-Base interactions energy: -90.900
where: short stacking energy: -40.786
Base-Backbone interact. energy: -2.032
local terms energy: -44.451902
where:
bonds (distance) C4'-P energy: -9.415
bonds (distance) P-C4' energy: -10.429
flat angles C4'-P-C4' energy: -8.044
flat angles P-C4'-P energy: -6.699
tors. eta vs tors. theta energy: -9.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -134.122292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.122292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.122292 (E_RNA)
where:
Base-Base interactions energy: -87.007
where: short stacking energy: -41.673
Base-Backbone interact. energy: -1.267
local terms energy: -45.848645
where:
bonds (distance) C4'-P energy: -10.231
bonds (distance) P-C4' energy: -10.345
flat angles C4'-P-C4' energy: -7.058
flat angles P-C4'-P energy: -6.216
tors. eta vs tors. theta energy: -11.999
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: 9
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -131.417089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.417089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.417089 (E_RNA)
where:
Base-Base interactions energy: -90.593
where: short stacking energy: -39.833
Base-Backbone interact. energy: -0.278
local terms energy: -40.546007
where:
bonds (distance) C4'-P energy: -10.285
bonds (distance) P-C4' energy: -10.877
flat angles C4'-P-C4' energy: -6.497
flat angles P-C4'-P energy: -3.365
tors. eta vs tors. theta energy: -9.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -133.999906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.999906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.999906 (E_RNA)
where:
Base-Base interactions energy: -95.306
where: short stacking energy: -44.887
Base-Backbone interact. energy: -0.038
local terms energy: -38.656362
where:
bonds (distance) C4'-P energy: -4.016
bonds (distance) P-C4' energy: -8.750
flat angles C4'-P-C4' energy: -7.106
flat angles P-C4'-P energy: -6.732
tors. eta vs tors. theta energy: -12.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -127.846212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.846212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.846212 (E_RNA)
where:
Base-Base interactions energy: -86.078
where: short stacking energy: -36.383
Base-Backbone interact. energy: -0.922
local terms energy: -40.845886
where:
bonds (distance) C4'-P energy: -8.852
bonds (distance) P-C4' energy: -8.221
flat angles C4'-P-C4' energy: -7.736
flat angles P-C4'-P energy: -7.247
tors. eta vs tors. theta energy: -8.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -129.145003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.145003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.145003 (E_RNA)
where:
Base-Base interactions energy: -88.944
where: short stacking energy: -40.702
Base-Backbone interact. energy: -0.002
local terms energy: -40.199775
where:
bonds (distance) C4'-P energy: -10.276
bonds (distance) P-C4' energy: -9.318
flat angles C4'-P-C4' energy: -6.977
flat angles P-C4'-P energy: -5.955
tors. eta vs tors. theta energy: -7.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -122.630942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.630942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.630942 (E_RNA)
where:
Base-Base interactions energy: -84.760
where: short stacking energy: -38.847
Base-Backbone interact. energy: -0.002
local terms energy: -37.868458
where:
bonds (distance) C4'-P energy: -5.358
bonds (distance) P-C4' energy: -10.165
flat angles C4'-P-C4' energy: -9.558
flat angles P-C4'-P energy: -5.169
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: 307
Temperature: 1.350000
Total energy: -112.710983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.710983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.710983 (E_RNA)
where:
Base-Base interactions energy: -78.190
where: short stacking energy: -31.524
Base-Backbone interact. energy: 1.661
local terms energy: -36.181186
where:
bonds (distance) C4'-P energy: -10.153
bonds (distance) P-C4' energy: -8.851
flat angles C4'-P-C4' energy: -3.088
flat angles P-C4'-P energy: -8.398
tors. eta vs tors. theta energy: -5.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -142.369243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.369243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.369243 (E_RNA)
where:
Base-Base interactions energy: -100.737
where: short stacking energy: -41.272
Base-Backbone interact. energy: -0.372
local terms energy: -41.260655
where:
bonds (distance) C4'-P energy: -6.211
bonds (distance) P-C4' energy: -9.637
flat angles C4'-P-C4' energy: -10.774
flat angles P-C4'-P energy: -6.138
tors. eta vs tors. theta energy: -8.501
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: 2, replica: 10
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -135.132909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.132909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.132909 (E_RNA)
where:
Base-Base interactions energy: -91.241
where: short stacking energy: -43.349
Base-Backbone interact. energy: -1.197
local terms energy: -42.694456
where:
bonds (distance) C4'-P energy: -6.700
bonds (distance) P-C4' energy: -10.855
flat angles C4'-P-C4' energy: -10.043
flat angles P-C4'-P energy: -6.562
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: 3, replica: 1
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -141.846185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.846185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.846185 (E_RNA)
where:
Base-Base interactions energy: -95.075
where: short stacking energy: -43.012
Base-Backbone interact. energy: 0.232
local terms energy: -47.003404
where:
bonds (distance) C4'-P energy: -8.857
bonds (distance) P-C4' energy: -10.327
flat angles C4'-P-C4' energy: -10.427
flat angles P-C4'-P energy: -6.013
tors. eta vs tors. theta energy: -11.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -138.074380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.074380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.074380 (E_RNA)
where:
Base-Base interactions energy: -93.412
where: short stacking energy: -42.317
Base-Backbone interact. energy: -0.929
local terms energy: -43.733359
where:
bonds (distance) C4'-P energy: -8.493
bonds (distance) P-C4' energy: -9.972
flat angles C4'-P-C4' energy: -9.822
flat angles P-C4'-P energy: -5.495
tors. eta vs tors. theta energy: -9.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -135.042445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.042445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.042445 (E_RNA)
where:
Base-Base interactions energy: -96.984
where: short stacking energy: -40.634
Base-Backbone interact. energy: -0.001
local terms energy: -38.056910
where:
bonds (distance) C4'-P energy: -6.998
bonds (distance) P-C4' energy: -9.699
flat angles C4'-P-C4' energy: -10.245
flat angles P-C4'-P energy: -0.835
tors. eta vs tors. theta energy: -10.279
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: 6, replica: 9
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -123.124188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.124188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.124188 (E_RNA)
where:
Base-Base interactions energy: -83.781
where: short stacking energy: -36.271
Base-Backbone interact. energy: -0.030
local terms energy: -39.313272
where:
bonds (distance) C4'-P energy: -10.640
bonds (distance) P-C4' energy: -8.389
flat angles C4'-P-C4' energy: -8.750
flat angles P-C4'-P energy: -4.653
tors. eta vs tors. theta energy: -6.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -134.290495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.290495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.290495 (E_RNA)
where:
Base-Base interactions energy: -92.758
where: short stacking energy: -42.171
Base-Backbone interact. energy: -0.002
local terms energy: -41.529964
where:
bonds (distance) C4'-P energy: -9.370
bonds (distance) P-C4' energy: -7.306
flat angles C4'-P-C4' energy: -8.184
flat angles P-C4'-P energy: -8.090
tors. eta vs tors. theta energy: -8.581
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: 8, replica: 2
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -126.575939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.575939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.575939 (E_RNA)
where:
Base-Base interactions energy: -94.115
where: short stacking energy: -42.343
Base-Backbone interact. energy: -0.006
local terms energy: -32.455536
where:
bonds (distance) C4'-P energy: -4.957
bonds (distance) P-C4' energy: -8.668
flat angles C4'-P-C4' energy: -8.107
flat angles P-C4'-P energy: -3.698
tors. eta vs tors. theta energy: -7.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -131.583872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.583872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.583872 (E_RNA)
where:
Base-Base interactions energy: -90.553
where: short stacking energy: -41.930
Base-Backbone interact. energy: -1.168
local terms energy: -39.862852
where:
bonds (distance) C4'-P energy: -9.655
bonds (distance) P-C4' energy: -7.650
flat angles C4'-P-C4' energy: -8.080
flat angles P-C4'-P energy: -6.113
tors. eta vs tors. theta energy: -8.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -120.882445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.882445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.882445 (E_RNA)
where:
Base-Base interactions energy: -87.164
where: short stacking energy: -37.776
Base-Backbone interact. energy: -0.105
local terms energy: -33.613334
where:
bonds (distance) C4'-P energy: -8.864
bonds (distance) P-C4' energy: -7.509
flat angles C4'-P-C4' energy: -3.816
flat angles P-C4'-P energy: -5.107
tors. eta vs tors. theta energy: -8.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -140.731965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.731965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.731965 (E_RNA)
where:
Base-Base interactions energy: -93.359
where: short stacking energy: -44.033
Base-Backbone interact. energy: -0.600
local terms energy: -46.773164
where:
bonds (distance) C4'-P energy: -9.280
bonds (distance) P-C4' energy: -10.917
flat angles C4'-P-C4' energy: -9.909
flat angles P-C4'-P energy: -7.491
tors. eta vs tors. theta energy: -9.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -140.945366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.945366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.945366 (E_RNA)
where:
Base-Base interactions energy: -95.467
where: short stacking energy: -44.169
Base-Backbone interact. energy: -0.001
local terms energy: -45.476855
where:
bonds (distance) C4'-P energy: -9.999
bonds (distance) P-C4' energy: -10.612
flat angles C4'-P-C4' energy: -10.893
flat angles P-C4'-P energy: -5.603
tors. eta vs tors. theta energy: -8.369
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: 10
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -141.162564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.162564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.162564 (E_RNA)
where:
Base-Base interactions energy: -97.976
where: short stacking energy: -44.397
Base-Backbone interact. energy: -1.555
local terms energy: -41.631752
where:
bonds (distance) C4'-P energy: -8.986
bonds (distance) P-C4' energy: -8.107
flat angles C4'-P-C4' energy: -9.449
flat angles P-C4'-P energy: -6.519
tors. eta vs tors. theta energy: -8.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -137.808074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.808074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.808074 (E_RNA)
where:
Base-Base interactions energy: -94.424
where: short stacking energy: -44.884
Base-Backbone interact. energy: 0.121
local terms energy: -43.505142
where:
bonds (distance) C4'-P energy: -8.836
bonds (distance) P-C4' energy: -9.967
flat angles C4'-P-C4' energy: -7.380
flat angles P-C4'-P energy: -7.231
tors. eta vs tors. theta energy: -10.090
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: 5, replica: 4
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -131.563076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.563076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.563076 (E_RNA)
where:
Base-Base interactions energy: -89.766
where: short stacking energy: -40.327
Base-Backbone interact. energy: -0.048
local terms energy: -41.749136
where:
bonds (distance) C4'-P energy: -7.850
bonds (distance) P-C4' energy: -11.597
flat angles C4'-P-C4' energy: -9.589
flat angles P-C4'-P energy: -6.138
tors. eta vs tors. theta energy: -6.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -134.553182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.553182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.553182 (E_RNA)
where:
Base-Base interactions energy: -91.119
where: short stacking energy: -46.230
Base-Backbone interact. energy: -0.050
local terms energy: -43.383429
where:
bonds (distance) C4'-P energy: -7.569
bonds (distance) P-C4' energy: -9.898
flat angles C4'-P-C4' energy: -8.772
flat angles P-C4'-P energy: -7.507
tors. eta vs tors. theta energy: -9.637
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: 7, replica: 9
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -124.061265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.061265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.061265 (E_RNA)
where:
Base-Base interactions energy: -88.296
where: short stacking energy: -38.901
Base-Backbone interact. energy: -0.001
local terms energy: -35.764243
where:
bonds (distance) C4'-P energy: -6.857
bonds (distance) P-C4' energy: -7.834
flat angles C4'-P-C4' energy: -9.104
flat angles P-C4'-P energy: -2.965
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: 8, replica: 3
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -127.144129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.144129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.144129 (E_RNA)
where:
Base-Base interactions energy: -88.478
where: short stacking energy: -43.610
Base-Backbone interact. energy: 0.158
local terms energy: -38.824049
where:
bonds (distance) C4'-P energy: -5.408
bonds (distance) P-C4' energy: -6.987
flat angles C4'-P-C4' energy: -9.394
flat angles P-C4'-P energy: -8.319
tors. eta vs tors. theta energy: -8.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -118.186498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.186498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.186498 (E_RNA)
where:
Base-Base interactions energy: -81.930
where: short stacking energy: -31.780
Base-Backbone interact. energy: -0.655
local terms energy: -35.601080
where:
bonds (distance) C4'-P energy: -9.201
bonds (distance) P-C4' energy: -6.473
flat angles C4'-P-C4' energy: -7.037
flat angles P-C4'-P energy: -6.575
tors. eta vs tors. theta energy: -6.314
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: 309
Temperature: 1.350000
Total energy: -123.970084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.970084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.970084 (E_RNA)
where:
Base-Base interactions energy: -89.583
where: short stacking energy: -41.947
Base-Backbone interact. energy: 0.528
local terms energy: -34.914334
where:
bonds (distance) C4'-P energy: -6.877
bonds (distance) P-C4' energy: -7.815
flat angles C4'-P-C4' energy: -7.050
flat angles P-C4'-P energy: -5.942
tors. eta vs tors. theta energy: -7.230
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: 1
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -141.983318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.983318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.983318 (E_RNA)
where:
Base-Base interactions energy: -97.528
where: short stacking energy: -45.329
Base-Backbone interact. energy: 0.315
local terms energy: -44.770459
where:
bonds (distance) C4'-P energy: -8.670
bonds (distance) P-C4' energy: -8.458
flat angles C4'-P-C4' energy: -10.108
flat angles P-C4'-P energy: -6.917
tors. eta vs tors. theta energy: -10.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -147.079105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.079105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.079105 (E_RNA)
where:
Base-Base interactions energy: -97.234
where: short stacking energy: -45.685
Base-Backbone interact. energy: -1.255
local terms energy: -48.590182
where:
bonds (distance) C4'-P energy: -10.562
bonds (distance) P-C4' energy: -10.680
flat angles C4'-P-C4' energy: -9.211
flat angles P-C4'-P energy: -6.454
tors. eta vs tors. theta energy: -11.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -143.111651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.111651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.111651 (E_RNA)
where:
Base-Base interactions energy: -94.142
where: short stacking energy: -44.201
Base-Backbone interact. energy: -1.867
local terms energy: -47.101863
where:
bonds (distance) C4'-P energy: -9.353
bonds (distance) P-C4' energy: -8.576
flat angles C4'-P-C4' energy: -9.145
flat angles P-C4'-P energy: -7.868
tors. eta vs tors. theta energy: -12.160
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: 10
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -135.324573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.324573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.324573 (E_RNA)
where:
Base-Base interactions energy: -93.572
where: short stacking energy: -43.135
Base-Backbone interact. energy: -0.118
local terms energy: -41.634318
where:
bonds (distance) C4'-P energy: -6.306
bonds (distance) P-C4' energy: -10.394
flat angles C4'-P-C4' energy: -9.103
flat angles P-C4'-P energy: -4.702
tors. eta vs tors. theta energy: -11.128
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: 5
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -130.381950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.381950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.381950 (E_RNA)
where:
Base-Base interactions energy: -90.054
where: short stacking energy: -38.636
Base-Backbone interact. energy: -0.300
local terms energy: -40.027772
where:
bonds (distance) C4'-P energy: -8.244
bonds (distance) P-C4' energy: -9.310
flat angles C4'-P-C4' energy: -7.163
flat angles P-C4'-P energy: -6.236
tors. eta vs tors. theta energy: -9.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -135.595162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.595162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.595162 (E_RNA)
where:
Base-Base interactions energy: -92.982
where: short stacking energy: -45.487
Base-Backbone interact. energy: -0.117
local terms energy: -42.496670
where:
bonds (distance) C4'-P energy: -7.735
bonds (distance) P-C4' energy: -10.413
flat angles C4'-P-C4' energy: -10.759
flat angles P-C4'-P energy: -4.615
tors. eta vs tors. theta energy: -8.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -128.013847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.013847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.013847 (E_RNA)
where:
Base-Base interactions energy: -82.219
where: short stacking energy: -39.114
Base-Backbone interact. energy: -1.088
local terms energy: -44.706399
where:
bonds (distance) C4'-P energy: -9.635
bonds (distance) P-C4' energy: -9.711
flat angles C4'-P-C4' energy: -10.517
flat angles P-C4'-P energy: -7.689
tors. eta vs tors. theta energy: -7.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -129.578477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.578477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.578477 (E_RNA)
where:
Base-Base interactions energy: -87.133
where: short stacking energy: -39.604
Base-Backbone interact. energy: -0.006
local terms energy: -42.439388
where:
bonds (distance) C4'-P energy: -9.789
bonds (distance) P-C4' energy: -9.245
flat angles C4'-P-C4' energy: -7.210
flat angles P-C4'-P energy: -6.341
tors. eta vs tors. theta energy: -9.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -119.094365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.094365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.094365 (E_RNA)
where:
Base-Base interactions energy: -82.213
where: short stacking energy: -34.265
Base-Backbone interact. energy: -1.232
local terms energy: -35.648598
where:
bonds (distance) C4'-P energy: -7.763
bonds (distance) P-C4' energy: -9.746
flat angles C4'-P-C4' energy: -8.953
flat angles P-C4'-P energy: -3.994
tors. eta vs tors. theta energy: -5.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -126.616966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.616966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.616966 (E_RNA)
where:
Base-Base interactions energy: -87.175
where: short stacking energy: -41.965
Base-Backbone interact. energy: 0.175
local terms energy: -39.617743
where:
bonds (distance) C4'-P energy: -6.927
bonds (distance) P-C4' energy: -10.612
flat angles C4'-P-C4' energy: -7.635
flat angles P-C4'-P energy: -4.408
tors. eta vs tors. theta energy: -10.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -143.769631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.769631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.769631 (E_RNA)
where:
Base-Base interactions energy: -99.013
where: short stacking energy: -46.999
Base-Backbone interact. energy: -1.974
local terms energy: -42.782202
where:
bonds (distance) C4'-P energy: -7.772
bonds (distance) P-C4' energy: -8.136
flat angles C4'-P-C4' energy: -8.611
flat angles P-C4'-P energy: -8.630
tors. eta vs tors. theta energy: -9.633
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: 7
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -139.062124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.062124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.062124 (E_RNA)
where:
Base-Base interactions energy: -95.309
where: short stacking energy: -44.013
Base-Backbone interact. energy: -0.876
local terms energy: -42.878063
where:
bonds (distance) C4'-P energy: -8.782
bonds (distance) P-C4' energy: -7.176
flat angles C4'-P-C4' energy: -10.354
flat angles P-C4'-P energy: -6.823
tors. eta vs tors. theta energy: -9.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -141.374624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.374624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.374624 (E_RNA)
where:
Base-Base interactions energy: -94.557
where: short stacking energy: -39.896
Base-Backbone interact. energy: -0.073
local terms energy: -46.744743
where:
bonds (distance) C4'-P energy: -9.080
bonds (distance) P-C4' energy: -10.582
flat angles C4'-P-C4' energy: -9.906
flat angles P-C4'-P energy: -7.430
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: 4, replica: 5
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -141.034230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.034230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.034230 (E_RNA)
where:
Base-Base interactions energy: -97.840
where: short stacking energy: -40.356
Base-Backbone interact. energy: -0.286
local terms energy: -42.908638
where:
bonds (distance) C4'-P energy: -9.859
bonds (distance) P-C4' energy: -9.634
flat angles C4'-P-C4' energy: -10.029
flat angles P-C4'-P energy: -5.046
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: 5, replica: 10
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -133.141290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.141290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.141290 (E_RNA)
where:
Base-Base interactions energy: -92.219
where: short stacking energy: -44.583
Base-Backbone interact. energy: -0.186
local terms energy: -40.735949
where:
bonds (distance) C4'-P energy: -6.811
bonds (distance) P-C4' energy: -10.147
flat angles C4'-P-C4' energy: -8.741
flat angles P-C4'-P energy: -5.800
tors. eta vs tors. theta energy: -9.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -130.285546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.285546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.285546 (E_RNA)
where:
Base-Base interactions energy: -98.251
where: short stacking energy: -42.785
Base-Backbone interact. energy: -0.491
local terms energy: -31.543756
where:
bonds (distance) C4'-P energy: -0.324
bonds (distance) P-C4' energy: -10.429
flat angles C4'-P-C4' energy: -9.538
flat angles P-C4'-P energy: -0.728
tors. eta vs tors. theta energy: -10.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -123.093839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.093839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.093839 (E_RNA)
where:
Base-Base interactions energy: -85.948
where: short stacking energy: -36.953
Base-Backbone interact. energy: -0.798
local terms energy: -36.347518
where:
bonds (distance) C4'-P energy: -8.351
bonds (distance) P-C4' energy: -9.031
flat angles C4'-P-C4' energy: -7.965
flat angles P-C4'-P energy: -5.312
tors. eta vs tors. theta energy: -5.689
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: 6
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -124.207339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.207339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.207339 (E_RNA)
where:
Base-Base interactions energy: -87.557
where: short stacking energy: -42.680
Base-Backbone interact. energy: -0.519
local terms energy: -36.130737
where:
bonds (distance) C4'-P energy: -3.959
bonds (distance) P-C4' energy: -6.635
flat angles C4'-P-C4' energy: -9.171
flat angles P-C4'-P energy: -6.042
tors. eta vs tors. theta energy: -10.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -119.318530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.318530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.318530 (E_RNA)
where:
Base-Base interactions energy: -80.706
where: short stacking energy: -31.737
Base-Backbone interact. energy: -0.003
local terms energy: -38.609879
where:
bonds (distance) C4'-P energy: -9.775
bonds (distance) P-C4' energy: -7.057
flat angles C4'-P-C4' energy: -9.596
flat angles P-C4'-P energy: -6.428
tors. eta vs tors. theta energy: -5.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -103.558084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.558084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.558084 (E_RNA)
where:
Base-Base interactions energy: -72.695
where: short stacking energy: -29.108
Base-Backbone interact. energy: 0.347
local terms energy: -31.209769
where:
bonds (distance) C4'-P energy: -9.663
bonds (distance) P-C4' energy: -5.659
flat angles C4'-P-C4' energy: -6.479
flat angles P-C4'-P energy: -4.404
tors. eta vs tors. theta energy: -5.004
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: 1
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -140.427991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.427991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.427991 (E_RNA)
where:
Base-Base interactions energy: -93.694
where: short stacking energy: -44.132
Base-Backbone interact. energy: -0.916
local terms energy: -45.818544
where:
bonds (distance) C4'-P energy: -8.306
bonds (distance) P-C4' energy: -10.903
flat angles C4'-P-C4' energy: -8.474
flat angles P-C4'-P energy: -7.516
tors. eta vs tors. theta energy: -10.620
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: 7
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -140.855610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.855610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.855610 (E_RNA)
where:
Base-Base interactions energy: -97.486
where: short stacking energy: -47.364
Base-Backbone interact. energy: -0.467
local terms energy: -42.902534
where:
bonds (distance) C4'-P energy: -8.199
bonds (distance) P-C4' energy: -8.558
flat angles C4'-P-C4' energy: -9.681
flat angles P-C4'-P energy: -6.697
tors. eta vs tors. theta energy: -9.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -145.764468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.764468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.764468 (E_RNA)
where:
Base-Base interactions energy: -99.177
where: short stacking energy: -45.888
Base-Backbone interact. energy: -1.036
local terms energy: -45.550969
where:
bonds (distance) C4'-P energy: -7.238
bonds (distance) P-C4' energy: -11.371
flat angles C4'-P-C4' energy: -7.925
flat angles P-C4'-P energy: -7.656
tors. eta vs tors. theta energy: -11.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -135.692314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.692314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.692314 (E_RNA)
where:
Base-Base interactions energy: -93.518
where: short stacking energy: -44.213
Base-Backbone interact. energy: -1.319
local terms energy: -40.854890
where:
bonds (distance) C4'-P energy: -6.166
bonds (distance) P-C4' energy: -8.780
flat angles C4'-P-C4' energy: -8.231
flat angles P-C4'-P energy: -6.582
tors. eta vs tors. theta energy: -11.096
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: 3
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -131.670579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.670579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.670579 (E_RNA)
where:
Base-Base interactions energy: -89.010
where: short stacking energy: -37.127
Base-Backbone interact. energy: -0.122
local terms energy: -42.538033
where:
bonds (distance) C4'-P energy: -7.524
bonds (distance) P-C4' energy: -11.134
flat angles C4'-P-C4' energy: -7.339
flat angles P-C4'-P energy: -6.724
tors. eta vs tors. theta energy: -9.816
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: 6, replica: 10
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -131.471522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.471522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.471522 (E_RNA)
where:
Base-Base interactions energy: -90.800
where: short stacking energy: -40.588
Base-Backbone interact. energy: 0.150
local terms energy: -40.821788
where:
bonds (distance) C4'-P energy: -9.072
bonds (distance) P-C4' energy: -6.678
flat angles C4'-P-C4' energy: -9.037
flat angles P-C4'-P energy: -6.957
tors. eta vs tors. theta energy: -9.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -126.008654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.008654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.008654 (E_RNA)
where:
Base-Base interactions energy: -88.003
where: short stacking energy: -40.731
Base-Backbone interact. energy: 0.097
local terms energy: -38.102356
where:
bonds (distance) C4'-P energy: -4.907
bonds (distance) P-C4' energy: -8.082
flat angles C4'-P-C4' energy: -9.076
flat angles P-C4'-P energy: -7.184
tors. eta vs tors. theta energy: -8.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -124.152913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.152913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.152913 (E_RNA)
where:
Base-Base interactions energy: -86.361
where: short stacking energy: -41.523
Base-Backbone interact. energy: 0.438
local terms energy: -38.229732
where:
bonds (distance) C4'-P energy: -8.890
bonds (distance) P-C4' energy: -6.620
flat angles C4'-P-C4' energy: -7.791
flat angles P-C4'-P energy: -5.588
tors. eta vs tors. theta energy: -9.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -122.797009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.797009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.797009 (E_RNA)
where:
Base-Base interactions energy: -85.523
where: short stacking energy: -41.320
Base-Backbone interact. energy: 0.694
local terms energy: -37.968110
where:
bonds (distance) C4'-P energy: -7.540
bonds (distance) P-C4' energy: -9.206
flat angles C4'-P-C4' energy: -9.996
flat angles P-C4'-P energy: -2.711
tors. eta vs tors. theta energy: -8.516
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: 2
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -77.180969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.180969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.180969 (E_RNA)
where:
Base-Base interactions energy: -45.925
where: short stacking energy: -25.517
Base-Backbone interact. energy: -0.093
local terms energy: -31.163047
where:
bonds (distance) C4'-P energy: -7.709
bonds (distance) P-C4' energy: -6.934
flat angles C4'-P-C4' energy: -7.557
flat angles P-C4'-P energy: -3.235
tors. eta vs tors. theta energy: -5.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -138.910196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.910196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.910196 (E_RNA)
where:
Base-Base interactions energy: -94.246
where: short stacking energy: -46.193
Base-Backbone interact. energy: -1.297
local terms energy: -43.367336
where:
bonds (distance) C4'-P energy: -9.644
bonds (distance) P-C4' energy: -9.564
flat angles C4'-P-C4' energy: -8.962
flat angles P-C4'-P energy: -5.335
tors. eta vs tors. theta energy: -9.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -142.083572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.083572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.083572 (E_RNA)
where:
Base-Base interactions energy: -97.045
where: short stacking energy: -44.479
Base-Backbone interact. energy: -0.619
local terms energy: -44.419879
where:
bonds (distance) C4'-P energy: -8.045
bonds (distance) P-C4' energy: -9.041
flat angles C4'-P-C4' energy: -7.717
flat angles P-C4'-P energy: -8.032
tors. eta vs tors. theta energy: -11.585
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: 3, replica: 5
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -136.921484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.921484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.921484 (E_RNA)
where:
Base-Base interactions energy: -92.944
where: short stacking energy: -43.020
Base-Backbone interact. energy: -0.076
local terms energy: -43.901223
where:
bonds (distance) C4'-P energy: -7.739
bonds (distance) P-C4' energy: -10.609
flat angles C4'-P-C4' energy: -8.558
flat angles P-C4'-P energy: -6.734
tors. eta vs tors. theta energy: -10.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -136.653857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.653857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.653857 (E_RNA)
where:
Base-Base interactions energy: -90.156
where: short stacking energy: -44.472
Base-Backbone interact. energy: -0.491
local terms energy: -46.007427
where:
bonds (distance) C4'-P energy: -9.511
bonds (distance) P-C4' energy: -9.778
flat angles C4'-P-C4' energy: -8.971
flat angles P-C4'-P energy: -7.774
tors. eta vs tors. theta energy: -9.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -132.961080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.961080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.961080 (E_RNA)
where:
Base-Base interactions energy: -96.218
where: short stacking energy: -40.377
Base-Backbone interact. energy: -1.149
local terms energy: -35.594015
where:
bonds (distance) C4'-P energy: -7.556
bonds (distance) P-C4' energy: -6.124
flat angles C4'-P-C4' energy: -6.713
flat angles P-C4'-P energy: -6.192
tors. eta vs tors. theta energy: -9.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -134.941916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.941916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.941916 (E_RNA)
where:
Base-Base interactions energy: -91.544
where: short stacking energy: -41.400
Base-Backbone interact. energy: -0.423
local terms energy: -42.975093
where:
bonds (distance) C4'-P energy: -9.014
bonds (distance) P-C4' energy: -7.286
flat angles C4'-P-C4' energy: -9.638
flat angles P-C4'-P energy: -7.316
tors. eta vs tors. theta energy: -9.720
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: 10
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -134.753747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.753747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.753747 (E_RNA)
where:
Base-Base interactions energy: -92.012
where: short stacking energy: -43.626
Base-Backbone interact. energy: -0.182
local terms energy: -42.559492
where:
bonds (distance) C4'-P energy: -8.037
bonds (distance) P-C4' energy: -8.644
flat angles C4'-P-C4' energy: -9.532
flat angles P-C4'-P energy: -6.590
tors. eta vs tors. theta energy: -9.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -129.140591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.140591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.140591 (E_RNA)
where:
Base-Base interactions energy: -87.824
where: short stacking energy: -38.169
Base-Backbone interact. energy: 0.261
local terms energy: -41.578196
where:
bonds (distance) C4'-P energy: -10.338
bonds (distance) P-C4' energy: -9.665
flat angles C4'-P-C4' energy: -10.774
flat angles P-C4'-P energy: -1.895
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: 4
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -119.888549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.888549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.888549 (E_RNA)
where:
Base-Base interactions energy: -82.753
where: short stacking energy: -38.355
Base-Backbone interact. energy: -0.004
local terms energy: -37.131688
where:
bonds (distance) C4'-P energy: -5.598
bonds (distance) P-C4' energy: -8.234
flat angles C4'-P-C4' energy: -8.697
flat angles P-C4'-P energy: -6.058
tors. eta vs tors. theta energy: -8.543
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: 313
Temperature: 1.350000
Total energy: -67.723489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.723489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.723489 (E_RNA)
where:
Base-Base interactions energy: -46.390
where: short stacking energy: -20.469
Base-Backbone interact. energy: 0.310
local terms energy: -21.643290
where:
bonds (distance) C4'-P energy: -8.454
bonds (distance) P-C4' energy: -5.628
flat angles C4'-P-C4' energy: -9.055
flat angles P-C4'-P energy: 1.011
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: 7
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -138.362301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.362301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.362301 (E_RNA)
where:
Base-Base interactions energy: -94.836
where: short stacking energy: -40.074
Base-Backbone interact. energy: -1.343
local terms energy: -42.183723
where:
bonds (distance) C4'-P energy: -9.423
bonds (distance) P-C4' energy: -7.457
flat angles C4'-P-C4' energy: -9.933
flat angles P-C4'-P energy: -7.452
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: 2, replica: 1
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -139.821727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.821727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.821727 (E_RNA)
where:
Base-Base interactions energy: -93.855
where: short stacking energy: -43.465
Base-Backbone interact. energy: -1.147
local terms energy: -44.819566
where:
bonds (distance) C4'-P energy: -10.037
bonds (distance) P-C4' energy: -9.637
flat angles C4'-P-C4' energy: -9.236
flat angles P-C4'-P energy: -6.392
tors. eta vs tors. theta energy: -9.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -142.866103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.866103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.866103 (E_RNA)
where:
Base-Base interactions energy: -96.526
where: short stacking energy: -44.890
Base-Backbone interact. energy: -0.944
local terms energy: -45.396356
where:
bonds (distance) C4'-P energy: -8.654
bonds (distance) P-C4' energy: -9.736
flat angles C4'-P-C4' energy: -10.003
flat angles P-C4'-P energy: -6.728
tors. eta vs tors. theta energy: -10.276
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: 3
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -133.119249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.119249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.119249 (E_RNA)
where:
Base-Base interactions energy: -93.793
where: short stacking energy: -39.397
Base-Backbone interact. energy: -0.016
local terms energy: -39.309908
where:
bonds (distance) C4'-P energy: -9.511
bonds (distance) P-C4' energy: -9.761
flat angles C4'-P-C4' energy: -6.518
flat angles P-C4'-P energy: -4.525
tors. eta vs tors. theta energy: -8.995
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: 6
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -131.540131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.540131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.540131 (E_RNA)
where:
Base-Base interactions energy: -91.502
where: short stacking energy: -42.879
Base-Backbone interact. energy: -0.740
local terms energy: -39.298332
where:
bonds (distance) C4'-P energy: -6.311
bonds (distance) P-C4' energy: -10.647
flat angles C4'-P-C4' energy: -7.596
flat angles P-C4'-P energy: -6.120
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: 6, replica: 8
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -130.280499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.280499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.280499 (E_RNA)
where:
Base-Base interactions energy: -88.694
where: short stacking energy: -39.236
Base-Backbone interact. energy: -0.805
local terms energy: -40.780760
where:
bonds (distance) C4'-P energy: -7.719
bonds (distance) P-C4' energy: -11.138
flat angles C4'-P-C4' energy: -10.642
flat angles P-C4'-P energy: -4.123
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: 7, replica: 10
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -136.924176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.924176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.924176 (E_RNA)
where:
Base-Base interactions energy: -94.565
where: short stacking energy: -43.676
Base-Backbone interact. energy: -0.967
local terms energy: -41.391974
where:
bonds (distance) C4'-P energy: -7.354
bonds (distance) P-C4' energy: -8.450
flat angles C4'-P-C4' energy: -8.530
flat angles P-C4'-P energy: -7.061
tors. eta vs tors. theta energy: -9.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -132.185661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.185661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.185661 (E_RNA)
where:
Base-Base interactions energy: -90.994
where: short stacking energy: -43.418
Base-Backbone interact. energy: -0.115
local terms energy: -41.077060
where:
bonds (distance) C4'-P energy: -9.271
bonds (distance) P-C4' energy: -7.351
flat angles C4'-P-C4' energy: -10.125
flat angles P-C4'-P energy: -6.143
tors. eta vs tors. theta energy: -8.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -124.623948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.623948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.623948 (E_RNA)
where:
Base-Base interactions energy: -86.708
where: short stacking energy: -37.140
Base-Backbone interact. energy: -0.662
local terms energy: -37.254016
where:
bonds (distance) C4'-P energy: -7.673
bonds (distance) P-C4' energy: -7.153
flat angles C4'-P-C4' energy: -10.560
flat angles P-C4'-P energy: -4.344
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: 10, replica: 2
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -63.644629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.644629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.644629 (E_RNA)
where:
Base-Base interactions energy: -28.618
where: short stacking energy: -28.618
Base-Backbone interact. energy: -0.002
local terms energy: -35.024034
where:
bonds (distance) C4'-P energy: -7.619
bonds (distance) P-C4' energy: -6.606
flat angles C4'-P-C4' energy: -10.128
flat angles P-C4'-P energy: -5.704
tors. eta vs tors. theta energy: -4.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -139.945036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.945036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.945036 (E_RNA)
where:
Base-Base interactions energy: -95.854
where: short stacking energy: -47.999
Base-Backbone interact. energy: -0.107
local terms energy: -43.983553
where:
bonds (distance) C4'-P energy: -7.690
bonds (distance) P-C4' energy: -10.895
flat angles C4'-P-C4' energy: -9.075
flat angles P-C4'-P energy: -5.902
tors. eta vs tors. theta energy: -10.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -140.896587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.896587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.896587 (E_RNA)
where:
Base-Base interactions energy: -92.949
where: short stacking energy: -43.066
Base-Backbone interact. energy: -1.674
local terms energy: -46.273448
where:
bonds (distance) C4'-P energy: -9.043
bonds (distance) P-C4' energy: -11.360
flat angles C4'-P-C4' energy: -10.229
flat angles P-C4'-P energy: -5.806
tors. eta vs tors. theta energy: -9.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -135.101937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.101937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.101937 (E_RNA)
where:
Base-Base interactions energy: -88.315
where: short stacking energy: -37.517
Base-Backbone interact. energy: -0.051
local terms energy: -46.735626
where:
bonds (distance) C4'-P energy: -9.378
bonds (distance) P-C4' energy: -11.075
flat angles C4'-P-C4' energy: -9.173
flat angles P-C4'-P energy: -8.837
tors. eta vs tors. theta energy: -8.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -132.990529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.990529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.990529 (E_RNA)
where:
Base-Base interactions energy: -92.108
where: short stacking energy: -42.676
Base-Backbone interact. energy: -1.244
local terms energy: -39.638366
where:
bonds (distance) C4'-P energy: -7.754
bonds (distance) P-C4' energy: -6.132
flat angles C4'-P-C4' energy: -8.382
flat angles P-C4'-P energy: -7.519
tors. eta vs tors. theta energy: -9.852
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: 5, replica: 3
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -134.036595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.036595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.036595 (E_RNA)
where:
Base-Base interactions energy: -95.979
where: short stacking energy: -39.033
Base-Backbone interact. energy: -0.577
local terms energy: -37.480554
where:
bonds (distance) C4'-P energy: -10.686
bonds (distance) P-C4' energy: -9.379
flat angles C4'-P-C4' energy: -7.482
flat angles P-C4'-P energy: -1.619
tors. eta vs tors. theta energy: -8.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -130.394408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.394408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.394408 (E_RNA)
where:
Base-Base interactions energy: -93.118
where: short stacking energy: -42.083
Base-Backbone interact. energy: -0.468
local terms energy: -36.808803
where:
bonds (distance) C4'-P energy: -9.038
bonds (distance) P-C4' energy: -8.397
flat angles C4'-P-C4' energy: -5.783
flat angles P-C4'-P energy: -4.324
tors. eta vs tors. theta energy: -9.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -132.968493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.968493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.968493 (E_RNA)
where:
Base-Base interactions energy: -92.708
where: short stacking energy: -43.681
Base-Backbone interact. energy: -0.770
local terms energy: -39.490070
where:
bonds (distance) C4'-P energy: -5.483
bonds (distance) P-C4' energy: -8.996
flat angles C4'-P-C4' energy: -8.430
flat angles P-C4'-P energy: -6.857
tors. eta vs tors. theta energy: -9.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -125.471189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.471189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.471189 (E_RNA)
where:
Base-Base interactions energy: -92.488
where: short stacking energy: -41.467
Base-Backbone interact. energy: -0.018
local terms energy: -32.965750
where:
bonds (distance) C4'-P energy: -6.190
bonds (distance) P-C4' energy: -4.571
flat angles C4'-P-C4' energy: -8.028
flat angles P-C4'-P energy: -6.564
tors. eta vs tors. theta energy: -7.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -117.905205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.905205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.905205 (E_RNA)
where:
Base-Base interactions energy: -83.355
where: short stacking energy: -33.731
Base-Backbone interact. energy: -0.000
local terms energy: -34.550219
where:
bonds (distance) C4'-P energy: -5.300
bonds (distance) P-C4' energy: -8.576
flat angles C4'-P-C4' energy: -5.466
flat angles P-C4'-P energy: -7.535
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: 10, replica: 2
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -68.694072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.694072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.694072 (E_RNA)
where:
Base-Base interactions energy: -36.845
where: short stacking energy: -30.703
Base-Backbone interact. energy: -0.086
local terms energy: -31.762890
where:
bonds (distance) C4'-P energy: -8.421
bonds (distance) P-C4' energy: -8.243
flat angles C4'-P-C4' energy: -4.501
flat angles P-C4'-P energy: -4.642
tors. eta vs tors. theta energy: -5.956
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: 7
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -146.091716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.091716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.091716 (E_RNA)
where:
Base-Base interactions energy: -108.191
where: short stacking energy: -43.421
Base-Backbone interact. energy: -0.007
local terms energy: -37.893472
where:
bonds (distance) C4'-P energy: -10.091
bonds (distance) P-C4' energy: -9.576
flat angles C4'-P-C4' energy: -8.557
flat angles P-C4'-P energy: -1.701
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: 2, replica: 5
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -143.081650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.081650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.081650 (E_RNA)
where:
Base-Base interactions energy: -99.614
where: short stacking energy: -43.854
Base-Backbone interact. energy: -0.253
local terms energy: -43.214685
where:
bonds (distance) C4'-P energy: -9.486
bonds (distance) P-C4' energy: -9.693
flat angles C4'-P-C4' energy: -7.979
flat angles P-C4'-P energy: -6.028
tors. eta vs tors. theta energy: -10.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -131.799730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.799730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.799730 (E_RNA)
where:
Base-Base interactions energy: -95.451
where: short stacking energy: -46.240
Base-Backbone interact. energy: -0.009
local terms energy: -36.339902
where:
bonds (distance) C4'-P energy: -7.623
bonds (distance) P-C4' energy: -8.411
flat angles C4'-P-C4' energy: -8.265
flat angles P-C4'-P energy: -2.413
tors. eta vs tors. theta energy: -9.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -135.274504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.274504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.274504 (E_RNA)
where:
Base-Base interactions energy: -96.453
where: short stacking energy: -43.135
Base-Backbone interact. energy: -0.098
local terms energy: -38.723705
where:
bonds (distance) C4'-P energy: -6.774
bonds (distance) P-C4' energy: -9.324
flat angles C4'-P-C4' energy: -10.418
flat angles P-C4'-P energy: -5.296
tors. eta vs tors. theta energy: -6.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -134.186162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.186162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.186162 (E_RNA)
where:
Base-Base interactions energy: -96.424
where: short stacking energy: -44.463
Base-Backbone interact. energy: -0.026
local terms energy: -37.736075
where:
bonds (distance) C4'-P energy: -8.000
bonds (distance) P-C4' energy: -7.825
flat angles C4'-P-C4' energy: -8.591
flat angles P-C4'-P energy: -5.615
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: 6, replica: 10
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -129.269973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.269973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.269973 (E_RNA)
where:
Base-Base interactions energy: -94.165
where: short stacking energy: -45.808
Base-Backbone interact. energy: -0.002
local terms energy: -35.103536
where:
bonds (distance) C4'-P energy: -8.840
bonds (distance) P-C4' energy: -6.097
flat angles C4'-P-C4' energy: -8.715
flat angles P-C4'-P energy: -3.730
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: 7, replica: 4
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -126.649799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.649799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.649799 (E_RNA)
where:
Base-Base interactions energy: -87.696
where: short stacking energy: -34.768
Base-Backbone interact. energy: -1.441
local terms energy: -37.512604
where:
bonds (distance) C4'-P energy: -9.280
bonds (distance) P-C4' energy: -8.982
flat angles C4'-P-C4' energy: -7.113
flat angles P-C4'-P energy: -5.930
tors. eta vs tors. theta energy: -6.208
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: 8
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -125.613881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.613881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.613881 (E_RNA)
where:
Base-Base interactions energy: -86.876
where: short stacking energy: -34.237
Base-Backbone interact. energy: -0.295
local terms energy: -38.443146
where:
bonds (distance) C4'-P energy: -7.831
bonds (distance) P-C4' energy: -10.649
flat angles C4'-P-C4' energy: -7.674
flat angles P-C4'-P energy: -1.656
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: 9, replica: 9
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -118.158613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.158613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.158613 (E_RNA)
where:
Base-Base interactions energy: -76.433
where: short stacking energy: -32.407
Base-Backbone interact. energy: -1.337
local terms energy: -40.389040
where:
bonds (distance) C4'-P energy: -9.573
bonds (distance) P-C4' energy: -9.282
flat angles C4'-P-C4' energy: -7.703
flat angles P-C4'-P energy: -8.527
tors. eta vs tors. theta energy: -5.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -77.806748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.806748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.806748 (E_RNA)
where:
Base-Base interactions energy: -37.806
where: short stacking energy: -34.854
Base-Backbone interact. energy: -0.012
local terms energy: -39.988764
where:
bonds (distance) C4'-P energy: -8.003
bonds (distance) P-C4' energy: -9.813
flat angles C4'-P-C4' energy: -8.521
flat angles P-C4'-P energy: -6.802
tors. eta vs tors. theta energy: -6.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -149.036727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.036727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.036727 (E_RNA)
where:
Base-Base interactions energy: -107.301
where: short stacking energy: -42.159
Base-Backbone interact. energy: -0.070
local terms energy: -41.665148
where:
bonds (distance) C4'-P energy: -9.026
bonds (distance) P-C4' energy: -11.124
flat angles C4'-P-C4' energy: -6.788
flat angles P-C4'-P energy: -5.240
tors. eta vs tors. theta energy: -9.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -135.040376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.040376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.040376 (E_RNA)
where:
Base-Base interactions energy: -93.347
where: short stacking energy: -44.794
Base-Backbone interact. energy: -1.287
local terms energy: -40.406728
where:
bonds (distance) C4'-P energy: -8.426
bonds (distance) P-C4' energy: -8.767
flat angles C4'-P-C4' energy: -8.788
flat angles P-C4'-P energy: -3.372
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: 3, replica: 5
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -140.573253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.573253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.573253 (E_RNA)
where:
Base-Base interactions energy: -93.462
where: short stacking energy: -43.486
Base-Backbone interact. energy: -1.102
local terms energy: -46.008423
where:
bonds (distance) C4'-P energy: -10.285
bonds (distance) P-C4' energy: -8.368
flat angles C4'-P-C4' energy: -10.278
flat angles P-C4'-P energy: -6.854
tors. eta vs tors. theta energy: -10.224
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: 317
Temperature: 1.050000
Total energy: -138.088862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.088862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.088862 (E_RNA)
where:
Base-Base interactions energy: -93.162
where: short stacking energy: -43.958
Base-Backbone interact. energy: -1.422
local terms energy: -43.505060
where:
bonds (distance) C4'-P energy: -7.602
bonds (distance) P-C4' energy: -9.215
flat angles C4'-P-C4' energy: -7.950
flat angles P-C4'-P energy: -7.355
tors. eta vs tors. theta energy: -11.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -133.255832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.255832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.255832 (E_RNA)
where:
Base-Base interactions energy: -96.720
where: short stacking energy: -38.002
Base-Backbone interact. energy: -0.022
local terms energy: -36.513944
where:
bonds (distance) C4'-P energy: -6.534
bonds (distance) P-C4' energy: -8.154
flat angles C4'-P-C4' energy: -6.283
flat angles P-C4'-P energy: -4.181
tors. eta vs tors. theta energy: -11.361
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: 317
Temperature: 1.150000
Total energy: -127.046065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.046065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.046065 (E_RNA)
where:
Base-Base interactions energy: -89.035
where: short stacking energy: -41.582
Base-Backbone interact. energy: -1.596
local terms energy: -36.415044
where:
bonds (distance) C4'-P energy: -5.258
bonds (distance) P-C4' energy: -8.672
flat angles C4'-P-C4' energy: -7.039
flat angles P-C4'-P energy: -6.767
tors. eta vs tors. theta energy: -8.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -126.840102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.840102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.840102 (E_RNA)
where:
Base-Base interactions energy: -83.971
where: short stacking energy: -35.315
Base-Backbone interact. energy: 0.103
local terms energy: -42.972304
where:
bonds (distance) C4'-P energy: -8.790
bonds (distance) P-C4' energy: -10.416
flat angles C4'-P-C4' energy: -9.454
flat angles P-C4'-P energy: -6.411
tors. eta vs tors. theta energy: -7.902
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: 9
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -123.195793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.195793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.195793 (E_RNA)
where:
Base-Base interactions energy: -87.309
where: short stacking energy: -36.086
Base-Backbone interact. energy: -0.083
local terms energy: -35.803799
where:
bonds (distance) C4'-P energy: -9.717
bonds (distance) P-C4' energy: -7.844
flat angles C4'-P-C4' energy: -7.799
flat angles P-C4'-P energy: -4.718
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: 9, replica: 8
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -131.412088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.412088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.412088 (E_RNA)
where:
Base-Base interactions energy: -91.932
where: short stacking energy: -41.367
Base-Backbone interact. energy: -0.882
local terms energy: -38.597509
where:
bonds (distance) C4'-P energy: -7.076
bonds (distance) P-C4' energy: -7.301
flat angles C4'-P-C4' energy: -9.945
flat angles P-C4'-P energy: -5.098
tors. eta vs tors. theta energy: -9.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -67.057465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.057465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.057465 (E_RNA)
where:
Base-Base interactions energy: -32.689
where: short stacking energy: -22.168
Base-Backbone interact. energy: -0.094
local terms energy: -34.274007
where:
bonds (distance) C4'-P energy: -7.809
bonds (distance) P-C4' energy: -9.359
flat angles C4'-P-C4' energy: -7.984
flat angles P-C4'-P energy: -3.805
tors. eta vs tors. theta energy: -5.317
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: 7
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -145.586909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.586909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.586909 (E_RNA)
where:
Base-Base interactions energy: -105.319
where: short stacking energy: -44.242
Base-Backbone interact. energy: -0.017
local terms energy: -40.250818
where:
bonds (distance) C4'-P energy: -8.447
bonds (distance) P-C4' energy: -9.622
flat angles C4'-P-C4' energy: -8.924
flat angles P-C4'-P energy: -3.401
tors. eta vs tors. theta energy: -9.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -139.296210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.296210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.296210 (E_RNA)
where:
Base-Base interactions energy: -93.557
where: short stacking energy: -45.893
Base-Backbone interact. energy: -1.891
local terms energy: -43.848507
where:
bonds (distance) C4'-P energy: -8.223
bonds (distance) P-C4' energy: -7.416
flat angles C4'-P-C4' energy: -9.493
flat angles P-C4'-P energy: -7.428
tors. eta vs tors. theta energy: -11.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -141.752439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.752439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.752439 (E_RNA)
where:
Base-Base interactions energy: -95.806
where: short stacking energy: -45.021
Base-Backbone interact. energy: -1.290
local terms energy: -44.656405
where:
bonds (distance) C4'-P energy: -9.751
bonds (distance) P-C4' energy: -10.429
flat angles C4'-P-C4' energy: -8.448
flat angles P-C4'-P energy: -6.587
tors. eta vs tors. theta energy: -9.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -137.931607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.931607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.931607 (E_RNA)
where:
Base-Base interactions energy: -95.970
where: short stacking energy: -44.125
Base-Backbone interact. energy: -0.366
local terms energy: -41.595789
where:
bonds (distance) C4'-P energy: -5.979
bonds (distance) P-C4' energy: -9.929
flat angles C4'-P-C4' energy: -8.893
flat angles P-C4'-P energy: -6.400
tors. eta vs tors. theta energy: -10.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -129.231877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.231877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.231877 (E_RNA)
where:
Base-Base interactions energy: -90.665
where: short stacking energy: -38.981
Base-Backbone interact. energy: -0.480
local terms energy: -38.086673
where:
bonds (distance) C4'-P energy: -7.230
bonds (distance) P-C4' energy: -8.423
flat angles C4'-P-C4' energy: -8.257
flat angles P-C4'-P energy: -5.717
tors. eta vs tors. theta energy: -8.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -131.448659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.448659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.448659 (E_RNA)
where:
Base-Base interactions energy: -89.941
where: short stacking energy: -42.731
Base-Backbone interact. energy: -0.013
local terms energy: -41.494333
where:
bonds (distance) C4'-P energy: -7.963
bonds (distance) P-C4' energy: -9.314
flat angles C4'-P-C4' energy: -8.618
flat angles P-C4'-P energy: -5.264
tors. eta vs tors. theta energy: -10.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -125.641594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.641594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.641594 (E_RNA)
where:
Base-Base interactions energy: -85.314
where: short stacking energy: -37.992
Base-Backbone interact. energy: -0.748
local terms energy: -39.579293
where:
bonds (distance) C4'-P energy: -6.282
bonds (distance) P-C4' energy: -8.808
flat angles C4'-P-C4' energy: -9.845
flat angles P-C4'-P energy: -7.244
tors. eta vs tors. theta energy: -7.401
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: 8, replica: 10
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -131.813431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.813431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.813431 (E_RNA)
where:
Base-Base interactions energy: -103.471
where: short stacking energy: -40.198
Base-Backbone interact. energy: -0.019
local terms energy: -28.323434
where:
bonds (distance) C4'-P energy: -6.124
bonds (distance) P-C4' energy: -7.747
flat angles C4'-P-C4' energy: -2.227
flat angles P-C4'-P energy: -4.607
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: 9, replica: 8
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -125.060098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.060098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.060098 (E_RNA)
where:
Base-Base interactions energy: -89.178
where: short stacking energy: -38.262
Base-Backbone interact. energy: -0.120
local terms energy: -35.761781
where:
bonds (distance) C4'-P energy: -3.255
bonds (distance) P-C4' energy: -10.870
flat angles C4'-P-C4' energy: -8.106
flat angles P-C4'-P energy: -5.400
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: 10, replica: 2
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -62.786921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.786921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.786921 (E_RNA)
where:
Base-Base interactions energy: -26.273
where: short stacking energy: -26.273
Base-Backbone interact. energy: -0.000
local terms energy: -36.513488
where:
bonds (distance) C4'-P energy: -4.944
bonds (distance) P-C4' energy: -10.394
flat angles C4'-P-C4' energy: -7.837
flat angles P-C4'-P energy: -4.777
tors. eta vs tors. theta energy: -8.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -142.055133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.055133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.055133 (E_RNA)
where:
Base-Base interactions energy: -95.909
where: short stacking energy: -45.343
Base-Backbone interact. energy: -0.001
local terms energy: -46.144925
where:
bonds (distance) C4'-P energy: -7.805
bonds (distance) P-C4' energy: -10.426
flat angles C4'-P-C4' energy: -10.672
flat angles P-C4'-P energy: -6.836
tors. eta vs tors. theta energy: -10.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -140.008208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.008208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.008208 (E_RNA)
where:
Base-Base interactions energy: -91.686
where: short stacking energy: -44.836
Base-Backbone interact. energy: -1.014
local terms energy: -47.308013
where:
bonds (distance) C4'-P energy: -8.952
bonds (distance) P-C4' energy: -10.670
flat angles C4'-P-C4' energy: -9.428
flat angles P-C4'-P energy: -7.719
tors. eta vs tors. theta energy: -10.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -135.067472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.067472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.067472 (E_RNA)
where:
Base-Base interactions energy: -93.015
where: short stacking energy: -44.611
Base-Backbone interact. energy: -0.296
local terms energy: -41.756510
where:
bonds (distance) C4'-P energy: -9.102
bonds (distance) P-C4' energy: -7.656
flat angles C4'-P-C4' energy: -9.596
flat angles P-C4'-P energy: -5.801
tors. eta vs tors. theta energy: -9.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -136.366322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.366322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.366322 (E_RNA)
where:
Base-Base interactions energy: -92.409
where: short stacking energy: -45.106
Base-Backbone interact. energy: -0.009
local terms energy: -43.948264
where:
bonds (distance) C4'-P energy: -9.121
bonds (distance) P-C4' energy: -10.422
flat angles C4'-P-C4' energy: -8.750
flat angles P-C4'-P energy: -6.376
tors. eta vs tors. theta energy: -9.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -138.363075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.363075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.363075 (E_RNA)
where:
Base-Base interactions energy: -92.780
where: short stacking energy: -45.065
Base-Backbone interact. energy: -1.336
local terms energy: -44.246282
where:
bonds (distance) C4'-P energy: -7.569
bonds (distance) P-C4' energy: -10.327
flat angles C4'-P-C4' energy: -8.302
flat angles P-C4'-P energy: -8.239
tors. eta vs tors. theta energy: -9.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -129.003636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.003636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.003636 (E_RNA)
where:
Base-Base interactions energy: -85.527
where: short stacking energy: -35.514
Base-Backbone interact. energy: -1.605
local terms energy: -41.870988
where:
bonds (distance) C4'-P energy: -9.379
bonds (distance) P-C4' energy: -10.849
flat angles C4'-P-C4' energy: -8.731
flat angles P-C4'-P energy: -6.969
tors. eta vs tors. theta energy: -5.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -131.405407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.405407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.405407 (E_RNA)
where:
Base-Base interactions energy: -94.339
where: short stacking energy: -37.781
Base-Backbone interact. energy: -0.001
local terms energy: -37.065161
where:
bonds (distance) C4'-P energy: -7.573
bonds (distance) P-C4' energy: -9.376
flat angles C4'-P-C4' energy: -9.196
flat angles P-C4'-P energy: -6.115
tors. eta vs tors. theta energy: -4.805
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: 8, replica: 8
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -124.147380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.147380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.147380 (E_RNA)
where:
Base-Base interactions energy: -89.390
where: short stacking energy: -40.202
Base-Backbone interact. energy: -0.010
local terms energy: -34.747181
where:
bonds (distance) C4'-P energy: -9.883
bonds (distance) P-C4' energy: -1.721
flat angles C4'-P-C4' energy: -7.583
flat angles P-C4'-P energy: -7.329
tors. eta vs tors. theta energy: -8.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -119.728188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.728188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.728188 (E_RNA)
where:
Base-Base interactions energy: -86.161
where: short stacking energy: -37.974
Base-Backbone interact. energy: 0.001
local terms energy: -33.568298
where:
bonds (distance) C4'-P energy: -7.238
bonds (distance) P-C4' energy: -6.400
flat angles C4'-P-C4' energy: -6.087
flat angles P-C4'-P energy: -7.419
tors. eta vs tors. theta energy: -6.425
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: 2
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -65.615156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.615156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.615156 (E_RNA)
where:
Base-Base interactions energy: -36.262
where: short stacking energy: -24.524
Base-Backbone interact. energy: -0.005
local terms energy: -29.347860
where:
bonds (distance) C4'-P energy: -5.958
bonds (distance) P-C4' energy: -7.098
flat angles C4'-P-C4' energy: -8.434
flat angles P-C4'-P energy: -4.048
tors. eta vs tors. theta energy: -3.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -143.820105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.820105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.820105 (E_RNA)
where:
Base-Base interactions energy: -100.607
where: short stacking energy: -43.337
Base-Backbone interact. energy: -0.007
local terms energy: -43.205606
where:
bonds (distance) C4'-P energy: -9.945
bonds (distance) P-C4' energy: -9.536
flat angles C4'-P-C4' energy: -10.404
flat angles P-C4'-P energy: -4.788
tors. eta vs tors. theta energy: -8.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -139.768783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.768783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.768783 (E_RNA)
where:
Base-Base interactions energy: -96.767
where: short stacking energy: -44.507
Base-Backbone interact. energy: -0.184
local terms energy: -42.817306
where:
bonds (distance) C4'-P energy: -8.107
bonds (distance) P-C4' energy: -9.954
flat angles C4'-P-C4' energy: -8.081
flat angles P-C4'-P energy: -6.988
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: 3, replica: 3
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -137.200186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.200186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.200186 (E_RNA)
where:
Base-Base interactions energy: -97.259
where: short stacking energy: -46.317
Base-Backbone interact. energy: -0.647
local terms energy: -39.294127
where:
bonds (distance) C4'-P energy: -8.128
bonds (distance) P-C4' energy: -7.429
flat angles C4'-P-C4' energy: -8.707
flat angles P-C4'-P energy: -6.376
tors. eta vs tors. theta energy: -8.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -132.172922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.172922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.172922 (E_RNA)
where:
Base-Base interactions energy: -90.340
where: short stacking energy: -43.703
Base-Backbone interact. energy: -1.113
local terms energy: -40.719940
where:
bonds (distance) C4'-P energy: -7.506
bonds (distance) P-C4' energy: -9.051
flat angles C4'-P-C4' energy: -6.996
flat angles P-C4'-P energy: -8.655
tors. eta vs tors. theta energy: -8.512
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: 5, replica: 9
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -135.005369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.005369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.005369 (E_RNA)
where:
Base-Base interactions energy: -93.548
where: short stacking energy: -42.711
Base-Backbone interact. energy: -1.282
local terms energy: -40.175450
where:
bonds (distance) C4'-P energy: -5.440
bonds (distance) P-C4' energy: -9.739
flat angles C4'-P-C4' energy: -10.518
flat angles P-C4'-P energy: -6.467
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: 6, replica: 4
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -126.550116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.550116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.550116 (E_RNA)
where:
Base-Base interactions energy: -82.932
where: short stacking energy: -34.505
Base-Backbone interact. energy: -1.282
local terms energy: -42.335785
where:
bonds (distance) C4'-P energy: -10.099
bonds (distance) P-C4' energy: -9.119
flat angles C4'-P-C4' energy: -7.986
flat angles P-C4'-P energy: -6.138
tors. eta vs tors. theta energy: -8.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -117.583069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.583069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.583069 (E_RNA)
where:
Base-Base interactions energy: -82.633
where: short stacking energy: -38.866
Base-Backbone interact. energy: -0.000
local terms energy: -34.950072
where:
bonds (distance) C4'-P energy: -6.009
bonds (distance) P-C4' energy: -9.253
flat angles C4'-P-C4' energy: -4.141
flat angles P-C4'-P energy: -7.407
tors. eta vs tors. theta energy: -8.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -123.629919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.629919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.629919 (E_RNA)
where:
Base-Base interactions energy: -91.477
where: short stacking energy: -33.081
Base-Backbone interact. energy: -0.038
local terms energy: -32.114964
where:
bonds (distance) C4'-P energy: -8.770
bonds (distance) P-C4' energy: -7.820
flat angles C4'-P-C4' energy: -5.385
flat angles P-C4'-P energy: -5.859
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: 9, replica: 10
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -113.357557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.357557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.357557 (E_RNA)
where:
Base-Base interactions energy: -76.663
where: short stacking energy: -37.563
Base-Backbone interact. energy: -0.074
local terms energy: -36.620324
where:
bonds (distance) C4'-P energy: -8.765
bonds (distance) P-C4' energy: -5.894
flat angles C4'-P-C4' energy: -10.010
flat angles P-C4'-P energy: -4.834
tors. eta vs tors. theta energy: -7.117
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: 2
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -61.747585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.747585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.747585 (E_RNA)
where:
Base-Base interactions energy: -25.590
where: short stacking energy: -25.590
Base-Backbone interact. energy: 0.670
local terms energy: -36.826987
where:
bonds (distance) C4'-P energy: -7.519
bonds (distance) P-C4' energy: -9.929
flat angles C4'-P-C4' energy: -6.711
flat angles P-C4'-P energy: -7.338
tors. eta vs tors. theta energy: -5.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -138.248627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.248627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.248627 (E_RNA)
where:
Base-Base interactions energy: -94.790
where: short stacking energy: -43.539
Base-Backbone interact. energy: -0.373
local terms energy: -43.085757
where:
bonds (distance) C4'-P energy: -6.944
bonds (distance) P-C4' energy: -11.607
flat angles C4'-P-C4' energy: -9.673
flat angles P-C4'-P energy: -4.069
tors. eta vs tors. theta energy: -10.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -141.672368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.672368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.672368 (E_RNA)
where:
Base-Base interactions energy: -95.215
where: short stacking energy: -46.156
Base-Backbone interact. energy: -1.395
local terms energy: -45.062896
where:
bonds (distance) C4'-P energy: -8.181
bonds (distance) P-C4' energy: -11.593
flat angles C4'-P-C4' energy: -9.446
flat angles P-C4'-P energy: -6.770
tors. eta vs tors. theta energy: -9.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -132.778930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.778930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.778930 (E_RNA)
where:
Base-Base interactions energy: -96.903
where: short stacking energy: -46.796
Base-Backbone interact. energy: -0.000
local terms energy: -35.876024
where:
bonds (distance) C4'-P energy: -9.867
bonds (distance) P-C4' energy: -6.529
flat angles C4'-P-C4' energy: -6.909
flat angles P-C4'-P energy: -3.509
tors. eta vs tors. theta energy: -9.062
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: 321
Temperature: 1.050000
Total energy: -137.818506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.818506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.818506 (E_RNA)
where:
Base-Base interactions energy: -94.161
where: short stacking energy: -43.716
Base-Backbone interact. energy: -0.048
local terms energy: -43.609359
where:
bonds (distance) C4'-P energy: -9.859
bonds (distance) P-C4' energy: -10.426
flat angles C4'-P-C4' energy: -7.797
flat angles P-C4'-P energy: -6.768
tors. eta vs tors. theta energy: -8.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -136.068140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.068140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.068140 (E_RNA)
where:
Base-Base interactions energy: -93.954
where: short stacking energy: -42.729
Base-Backbone interact. energy: -0.418
local terms energy: -41.696881
where:
bonds (distance) C4'-P energy: -6.323
bonds (distance) P-C4' energy: -9.377
flat angles C4'-P-C4' energy: -8.480
flat angles P-C4'-P energy: -6.494
tors. eta vs tors. theta energy: -11.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -121.784690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.784690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.784690 (E_RNA)
where:
Base-Base interactions energy: -91.638
where: short stacking energy: -44.287
Base-Backbone interact. energy: 0.652
local terms energy: -30.798416
where:
bonds (distance) C4'-P energy: -1.160
bonds (distance) P-C4' energy: -8.978
flat angles C4'-P-C4' energy: -7.275
flat angles P-C4'-P energy: -5.402
tors. eta vs tors. theta energy: -7.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -121.511065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.511065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.511065 (E_RNA)
where:
Base-Base interactions energy: -86.420
where: short stacking energy: -34.561
Base-Backbone interact. energy: -0.432
local terms energy: -34.659621
where:
bonds (distance) C4'-P energy: -4.410
bonds (distance) P-C4' energy: -9.044
flat angles C4'-P-C4' energy: -10.864
flat angles P-C4'-P energy: -6.796
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: 8, replica: 10
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -128.232982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.232982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.232982 (E_RNA)
where:
Base-Base interactions energy: -88.631
where: short stacking energy: -38.644
Base-Backbone interact. energy: -0.336
local terms energy: -39.265946
where:
bonds (distance) C4'-P energy: -10.115
bonds (distance) P-C4' energy: -9.640
flat angles C4'-P-C4' energy: -9.331
flat angles P-C4'-P energy: -0.557
tors. eta vs tors. theta energy: -9.623
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: 1
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -122.291253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.291253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.291253 (E_RNA)
where:
Base-Base interactions energy: -91.840
where: short stacking energy: -32.975
Base-Backbone interact. energy: -0.026
local terms energy: -30.424838
where:
bonds (distance) C4'-P energy: -7.826
bonds (distance) P-C4' energy: -6.950
flat angles C4'-P-C4' energy: -6.132
flat angles P-C4'-P energy: -1.478
tors. eta vs tors. theta energy: -8.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -64.693064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.693064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.693064 (E_RNA)
where:
Base-Base interactions energy: -30.454
where: short stacking energy: -30.454
Base-Backbone interact. energy: -0.001
local terms energy: -34.237819
where:
bonds (distance) C4'-P energy: -6.502
bonds (distance) P-C4' energy: -7.815
flat angles C4'-P-C4' energy: -9.434
flat angles P-C4'-P energy: -3.234
tors. eta vs tors. theta energy: -7.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -140.791319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.791319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.791319 (E_RNA)
where:
Base-Base interactions energy: -94.124
where: short stacking energy: -43.598
Base-Backbone interact. energy: -0.003
local terms energy: -46.664457
where:
bonds (distance) C4'-P energy: -9.681
bonds (distance) P-C4' energy: -10.588
flat angles C4'-P-C4' energy: -8.382
flat angles P-C4'-P energy: -7.626
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: 2, replica: 6
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -138.347544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.347544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.347544 (E_RNA)
where:
Base-Base interactions energy: -98.935
where: short stacking energy: -41.731
Base-Backbone interact. energy: -0.309
local terms energy: -39.104484
where:
bonds (distance) C4'-P energy: -6.311
bonds (distance) P-C4' energy: -10.665
flat angles C4'-P-C4' energy: -10.326
flat angles P-C4'-P energy: -5.080
tors. eta vs tors. theta energy: -6.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -138.509375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.509375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.509375 (E_RNA)
where:
Base-Base interactions energy: -91.653
where: short stacking energy: -43.981
Base-Backbone interact. energy: -0.035
local terms energy: -46.821495
where:
bonds (distance) C4'-P energy: -8.567
bonds (distance) P-C4' energy: -8.530
flat angles C4'-P-C4' energy: -10.334
flat angles P-C4'-P energy: -8.747
tors. eta vs tors. theta energy: -10.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -138.473217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.473217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.473217 (E_RNA)
where:
Base-Base interactions energy: -97.034
where: short stacking energy: -46.749
Base-Backbone interact. energy: -1.145
local terms energy: -40.294377
where:
bonds (distance) C4'-P energy: -6.307
bonds (distance) P-C4' energy: -9.376
flat angles C4'-P-C4' energy: -9.271
flat angles P-C4'-P energy: -6.034
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: 5, replica: 9
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -131.540461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.540461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.540461 (E_RNA)
where:
Base-Base interactions energy: -92.993
where: short stacking energy: -36.056
Base-Backbone interact. energy: -0.072
local terms energy: -38.475321
where:
bonds (distance) C4'-P energy: -8.330
bonds (distance) P-C4' energy: -9.385
flat angles C4'-P-C4' energy: -7.010
flat angles P-C4'-P energy: -8.014
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: 8
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -120.794030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.794030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.794030 (E_RNA)
where:
Base-Base interactions energy: -84.737
where: short stacking energy: -35.718
Base-Backbone interact. energy: -0.370
local terms energy: -35.686495
where:
bonds (distance) C4'-P energy: -8.766
bonds (distance) P-C4' energy: -8.662
flat angles C4'-P-C4' energy: -8.820
flat angles P-C4'-P energy: -3.999
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: 7, replica: 10
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -132.029150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.029150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.029150 (E_RNA)
where:
Base-Base interactions energy: -91.203
where: short stacking energy: -41.270
Base-Backbone interact. energy: -0.000
local terms energy: -40.825567
where:
bonds (distance) C4'-P energy: -7.461
bonds (distance) P-C4' energy: -8.690
flat angles C4'-P-C4' energy: -9.615
flat angles P-C4'-P energy: -6.222
tors. eta vs tors. theta energy: -8.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -125.127011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.127011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.127011 (E_RNA)
where:
Base-Base interactions energy: -87.071
where: short stacking energy: -40.354
Base-Backbone interact. energy: -0.001
local terms energy: -38.054141
where:
bonds (distance) C4'-P energy: -6.720
bonds (distance) P-C4' energy: -10.644
flat angles C4'-P-C4' energy: -7.372
flat angles P-C4'-P energy: -5.952
tors. eta vs tors. theta energy: -7.367
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: 2
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -65.294369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.294369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.294369 (E_RNA)
where:
Base-Base interactions energy: -29.136
where: short stacking energy: -29.136
Base-Backbone interact. energy: -0.082
local terms energy: -36.077039
where:
bonds (distance) C4'-P energy: -9.210
bonds (distance) P-C4' energy: -10.680
flat angles C4'-P-C4' energy: -5.305
flat angles P-C4'-P energy: -7.959
tors. eta vs tors. theta energy: -2.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -124.256759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.256759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.256759 (E_RNA)
where:
Base-Base interactions energy: -89.492
where: short stacking energy: -37.613
Base-Backbone interact. energy: -0.016
local terms energy: -34.748202
where:
bonds (distance) C4'-P energy: -8.910
bonds (distance) P-C4' energy: -9.445
flat angles C4'-P-C4' energy: -5.684
flat angles P-C4'-P energy: -4.616
tors. eta vs tors. theta energy: -6.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -140.174001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.174001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.174001 (E_RNA)
where:
Base-Base interactions energy: -99.592
where: short stacking energy: -40.970
Base-Backbone interact. energy: -0.110
local terms energy: -40.472016
where:
bonds (distance) C4'-P energy: -9.601
bonds (distance) P-C4' energy: -10.670
flat angles C4'-P-C4' energy: -9.783
flat angles P-C4'-P energy: -1.240
tors. eta vs tors. theta energy: -9.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -138.430027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.430027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.430027 (E_RNA)
where:
Base-Base interactions energy: -93.661
where: short stacking energy: -42.095
Base-Backbone interact. energy: -1.304
local terms energy: -43.464512
where:
bonds (distance) C4'-P energy: -8.315
bonds (distance) P-C4' energy: -8.174
flat angles C4'-P-C4' energy: -9.539
flat angles P-C4'-P energy: -8.134
tors. eta vs tors. theta energy: -9.303
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: 6
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -137.909495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.909495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.909495 (E_RNA)
where:
Base-Base interactions energy: -96.587
where: short stacking energy: -45.481
Base-Backbone interact. energy: -0.009
local terms energy: -41.312919
where:
bonds (distance) C4'-P energy: -9.590
bonds (distance) P-C4' energy: -8.235
flat angles C4'-P-C4' energy: -8.410
flat angles P-C4'-P energy: -5.048
tors. eta vs tors. theta energy: -10.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -129.961252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.961252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.961252 (E_RNA)
where:
Base-Base interactions energy: -84.828
where: short stacking energy: -34.179
Base-Backbone interact. energy: -0.042
local terms energy: -45.091630
where:
bonds (distance) C4'-P energy: -9.503
bonds (distance) P-C4' energy: -10.684
flat angles C4'-P-C4' energy: -10.515
flat angles P-C4'-P energy: -6.445
tors. eta vs tors. theta energy: -7.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -137.400113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.400113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.400113 (E_RNA)
where:
Base-Base interactions energy: -92.871
where: short stacking energy: -43.677
Base-Backbone interact. energy: -1.388
local terms energy: -43.140703
where:
bonds (distance) C4'-P energy: -8.555
bonds (distance) P-C4' energy: -10.416
flat angles C4'-P-C4' energy: -7.705
flat angles P-C4'-P energy: -5.987
tors. eta vs tors. theta energy: -10.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -131.946433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.946433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.946433 (E_RNA)
where:
Base-Base interactions energy: -91.152
where: short stacking energy: -43.227
Base-Backbone interact. energy: -0.496
local terms energy: -40.297654
where:
bonds (distance) C4'-P energy: -9.180
bonds (distance) P-C4' energy: -7.788
flat angles C4'-P-C4' energy: -9.469
flat angles P-C4'-P energy: -6.518
tors. eta vs tors. theta energy: -7.342
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: 10
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -134.265386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.265386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.265386 (E_RNA)
where:
Base-Base interactions energy: -94.909
where: short stacking energy: -36.853
Base-Backbone interact. energy: -0.167
local terms energy: -39.189634
where:
bonds (distance) C4'-P energy: -8.632
bonds (distance) P-C4' energy: -7.195
flat angles C4'-P-C4' energy: -9.337
flat angles P-C4'-P energy: -3.946
tors. eta vs tors. theta energy: -10.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -77.812908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.812908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.812908 (E_RNA)
where:
Base-Base interactions energy: -35.384
where: short stacking energy: -35.384
Base-Backbone interact. energy: -0.085
local terms energy: -42.343546
where:
bonds (distance) C4'-P energy: -8.828
bonds (distance) P-C4' energy: -8.108
flat angles C4'-P-C4' energy: -9.251
flat angles P-C4'-P energy: -6.653
tors. eta vs tors. theta energy: -9.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -128.482110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.482110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.482110 (E_RNA)
where:
Base-Base interactions energy: -86.539
where: short stacking energy: -38.382
Base-Backbone interact. energy: -0.106
local terms energy: -41.837220
where:
bonds (distance) C4'-P energy: -7.541
bonds (distance) P-C4' energy: -9.824
flat angles C4'-P-C4' energy: -10.241
flat angles P-C4'-P energy: -6.246
tors. eta vs tors. theta energy: -7.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -128.170330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.170330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.170330 (E_RNA)
where:
Base-Base interactions energy: -85.917
where: short stacking energy: -38.231
Base-Backbone interact. energy: -1.668
local terms energy: -40.584455
where:
bonds (distance) C4'-P energy: -9.279
bonds (distance) P-C4' energy: -10.211
flat angles C4'-P-C4' energy: -6.690
flat angles P-C4'-P energy: -5.757
tors. eta vs tors. theta energy: -8.647
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: 5
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -142.385584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.385584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.385584 (E_RNA)
where:
Base-Base interactions energy: -94.690
where: short stacking energy: -43.274
Base-Backbone interact. energy: -1.282
local terms energy: -46.412862
where:
bonds (distance) C4'-P energy: -9.076
bonds (distance) P-C4' energy: -9.672
flat angles C4'-P-C4' energy: -9.966
flat angles P-C4'-P energy: -6.690
tors. eta vs tors. theta energy: -11.009
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: 324
Temperature: 0.950000
Total energy: -141.912087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.912087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.912087 (E_RNA)
where:
Base-Base interactions energy: -104.137
where: short stacking energy: -42.108
Base-Backbone interact. energy: -0.575
local terms energy: -37.199897
where:
bonds (distance) C4'-P energy: -8.464
bonds (distance) P-C4' energy: -6.383
flat angles C4'-P-C4' energy: -10.947
flat angles P-C4'-P energy: -3.463
tors. eta vs tors. theta energy: -7.943
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: 3, replica: 9
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -141.728313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.728313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.728313 (E_RNA)
where:
Base-Base interactions energy: -92.849
where: short stacking energy: -43.801
Base-Backbone interact. energy: -1.274
local terms energy: -47.604976
where:
bonds (distance) C4'-P energy: -9.883
bonds (distance) P-C4' energy: -10.652
flat angles C4'-P-C4' energy: -10.609
flat angles P-C4'-P energy: -6.651
tors. eta vs tors. theta energy: -9.809
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: 4, replica: 6
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -136.842141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.842141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.842141 (E_RNA)
where:
Base-Base interactions energy: -92.600
where: short stacking energy: -41.110
Base-Backbone interact. energy: -1.816
local terms energy: -42.426134
where:
bonds (distance) C4'-P energy: -10.011
bonds (distance) P-C4' energy: -8.662
flat angles C4'-P-C4' energy: -10.251
flat angles P-C4'-P energy: -7.090
tors. eta vs tors. theta energy: -6.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -133.864799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.864799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.864799 (E_RNA)
where:
Base-Base interactions energy: -93.917
where: short stacking energy: -31.121
Base-Backbone interact. energy: -0.116
local terms energy: -39.832032
where:
bonds (distance) C4'-P energy: -9.395
bonds (distance) P-C4' energy: -9.192
flat angles C4'-P-C4' energy: -10.320
flat angles P-C4'-P energy: -2.799
tors. eta vs tors. theta energy: -8.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -130.281044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.281044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.281044 (E_RNA)
where:
Base-Base interactions energy: -88.252
where: short stacking energy: -41.493
Base-Backbone interact. energy: -0.002
local terms energy: -42.026768
where:
bonds (distance) C4'-P energy: -9.369
bonds (distance) P-C4' energy: -7.936
flat angles C4'-P-C4' energy: -8.721
flat angles P-C4'-P energy: -6.897
tors. eta vs tors. theta energy: -9.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -127.367025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.367025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.367025 (E_RNA)
where:
Base-Base interactions energy: -88.929
where: short stacking energy: -41.048
Base-Backbone interact. energy: -0.595
local terms energy: -37.843012
where:
bonds (distance) C4'-P energy: -8.558
bonds (distance) P-C4' energy: -9.993
flat angles C4'-P-C4' energy: -4.664
flat angles P-C4'-P energy: -5.577
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: 8, replica: 2
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -65.788059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.788059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.788059 (E_RNA)
where:
Base-Base interactions energy: -32.765
where: short stacking energy: -32.765
Base-Backbone interact. energy: -0.221
local terms energy: -32.801748
where:
bonds (distance) C4'-P energy: -8.695
bonds (distance) P-C4' energy: -8.583
flat angles C4'-P-C4' energy: -7.503
flat angles P-C4'-P energy: -4.826
tors. eta vs tors. theta energy: -3.194
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: 1
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -121.016299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.016299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.016299 (E_RNA)
where:
Base-Base interactions energy: -84.277
where: short stacking energy: -33.156
Base-Backbone interact. energy: -0.079
local terms energy: -36.660694
where:
bonds (distance) C4'-P energy: -6.227
bonds (distance) P-C4' energy: -7.473
flat angles C4'-P-C4' energy: -9.527
flat angles P-C4'-P energy: -7.829
tors. eta vs tors. theta energy: -5.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -118.212092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.212092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.212092 (E_RNA)
where:
Base-Base interactions energy: -85.274
where: short stacking energy: -39.022
Base-Backbone interact. energy: -0.064
local terms energy: -32.873912
where:
bonds (distance) C4'-P energy: -5.632
bonds (distance) P-C4' energy: -9.274
flat angles C4'-P-C4' energy: -9.280
flat angles P-C4'-P energy: -1.869
tors. eta vs tors. theta energy: -6.820
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: 5
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -143.654914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.654914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.654914 (E_RNA)
where:
Base-Base interactions energy: -97.204
where: short stacking energy: -45.481
Base-Backbone interact. energy: -0.001
local terms energy: -46.450125
where:
bonds (distance) C4'-P energy: -10.786
bonds (distance) P-C4' energy: -10.677
flat angles C4'-P-C4' energy: -9.088
flat angles P-C4'-P energy: -6.101
tors. eta vs tors. theta energy: -9.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -141.623683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.623683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.623683 (E_RNA)
where:
Base-Base interactions energy: -95.483
where: short stacking energy: -46.520
Base-Backbone interact. energy: -0.449
local terms energy: -45.692191
where:
bonds (distance) C4'-P energy: -8.297
bonds (distance) P-C4' energy: -11.124
flat angles C4'-P-C4' energy: -10.702
flat angles P-C4'-P energy: -7.494
tors. eta vs tors. theta energy: -8.075
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: 7
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -140.709885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.709885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.709885 (E_RNA)
where:
Base-Base interactions energy: -101.135
where: short stacking energy: -44.448
Base-Backbone interact. energy: -0.043
local terms energy: -39.531907
where:
bonds (distance) C4'-P energy: -7.675
bonds (distance) P-C4' energy: -11.134
flat angles C4'-P-C4' energy: -9.794
flat angles P-C4'-P energy: -4.692
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: 4, replica: 8
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -135.554429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.554429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.554429 (E_RNA)
where:
Base-Base interactions energy: -94.294
where: short stacking energy: -45.330
Base-Backbone interact. energy: -0.001
local terms energy: -41.259273
where:
bonds (distance) C4'-P energy: -10.322
bonds (distance) P-C4' energy: -10.208
flat angles C4'-P-C4' energy: -8.326
flat angles P-C4'-P energy: -3.591
tors. eta vs tors. theta energy: -8.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -131.205469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.205469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.205469 (E_RNA)
where:
Base-Base interactions energy: -91.588
where: short stacking energy: -42.382
Base-Backbone interact. energy: -0.482
local terms energy: -39.135068
where:
bonds (distance) C4'-P energy: -9.883
bonds (distance) P-C4' energy: -8.883
flat angles C4'-P-C4' energy: -7.333
flat angles P-C4'-P energy: -4.246
tors. eta vs tors. theta energy: -8.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -128.260932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.260932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.260932 (E_RNA)
where:
Base-Base interactions energy: -85.959
where: short stacking energy: -40.503
Base-Backbone interact. energy: -0.812
local terms energy: -41.489960
where:
bonds (distance) C4'-P energy: -10.355
bonds (distance) P-C4' energy: -9.717
flat angles C4'-P-C4' energy: -5.004
flat angles P-C4'-P energy: -6.195
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: 7, replica: 3
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -125.382167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.382167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.382167 (E_RNA)
where:
Base-Base interactions energy: -88.207
where: short stacking energy: -35.481
Base-Backbone interact. energy: -0.785
local terms energy: -36.390107
where:
bonds (distance) C4'-P energy: -9.448
bonds (distance) P-C4' energy: -8.285
flat angles C4'-P-C4' energy: -7.385
flat angles P-C4'-P energy: -4.180
tors. eta vs tors. theta energy: -7.093
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: 1
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -131.513569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.513569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.513569 (E_RNA)
where:
Base-Base interactions energy: -91.825
where: short stacking energy: -40.943
Base-Backbone interact. energy: -0.911
local terms energy: -38.778357
where:
bonds (distance) C4'-P energy: -8.041
bonds (distance) P-C4' energy: -6.438
flat angles C4'-P-C4' energy: -8.033
flat angles P-C4'-P energy: -7.554
tors. eta vs tors. theta energy: -8.711
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: 2
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -56.653199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.653199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.653199 (E_RNA)
where:
Base-Base interactions energy: -35.181
where: short stacking energy: -21.429
Base-Backbone interact. energy: -0.543
local terms energy: -20.928825
where:
bonds (distance) C4'-P energy: -2.840
bonds (distance) P-C4' energy: -5.219
flat angles C4'-P-C4' energy: -7.948
flat angles P-C4'-P energy: -7.488
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: 4
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -104.831608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.831608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.831608 (E_RNA)
where:
Base-Base interactions energy: -70.636
where: short stacking energy: -26.768
Base-Backbone interact. energy: -0.852
local terms energy: -33.342875
where:
bonds (distance) C4'-P energy: -7.772
bonds (distance) P-C4' energy: -5.969
flat angles C4'-P-C4' energy: -10.668
flat angles P-C4'-P energy: -5.309
tors. eta vs tors. theta energy: -3.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -144.618876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.618876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.618876 (E_RNA)
where:
Base-Base interactions energy: -95.101
where: short stacking energy: -44.426
Base-Backbone interact. energy: -0.575
local terms energy: -48.943056
where:
bonds (distance) C4'-P energy: -9.743
bonds (distance) P-C4' energy: -10.376
flat angles C4'-P-C4' energy: -9.504
flat angles P-C4'-P energy: -9.188
tors. eta vs tors. theta energy: -10.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -141.100557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.100557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.100557 (E_RNA)
where:
Base-Base interactions energy: -107.391
where: short stacking energy: -41.640
Base-Backbone interact. energy: -0.572
local terms energy: -33.137468
where:
bonds (distance) C4'-P energy: -5.151
bonds (distance) P-C4' energy: -10.007
flat angles C4'-P-C4' energy: -7.499
flat angles P-C4'-P energy: -1.150
tors. eta vs tors. theta energy: -9.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -139.833265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.833265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.833265 (E_RNA)
where:
Base-Base interactions energy: -95.125
where: short stacking energy: -42.315
Base-Backbone interact. energy: -2.167
local terms energy: -42.541221
where:
bonds (distance) C4'-P energy: -7.262
bonds (distance) P-C4' energy: -9.337
flat angles C4'-P-C4' energy: -9.786
flat angles P-C4'-P energy: -7.016
tors. eta vs tors. theta energy: -9.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -134.059563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.059563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.059563 (E_RNA)
where:
Base-Base interactions energy: -92.222
where: short stacking energy: -42.037
Base-Backbone interact. energy: 0.336
local terms energy: -42.173744
where:
bonds (distance) C4'-P energy: -7.924
bonds (distance) P-C4' energy: -9.270
flat angles C4'-P-C4' energy: -8.954
flat angles P-C4'-P energy: -5.810
tors. eta vs tors. theta energy: -10.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -136.105989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.105989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.105989 (E_RNA)
where:
Base-Base interactions energy: -93.520
where: short stacking energy: -43.965
Base-Backbone interact. energy: -0.002
local terms energy: -42.583758
where:
bonds (distance) C4'-P energy: -9.663
bonds (distance) P-C4' energy: -7.889
flat angles C4'-P-C4' energy: -7.271
flat angles P-C4'-P energy: -6.417
tors. eta vs tors. theta energy: -11.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -132.111970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.111970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.111970 (E_RNA)
where:
Base-Base interactions energy: -96.065
where: short stacking energy: -40.127
Base-Backbone interact. energy: 0.657
local terms energy: -36.704070
where:
bonds (distance) C4'-P energy: -9.635
bonds (distance) P-C4' energy: -2.335
flat angles C4'-P-C4' energy: -8.227
flat angles P-C4'-P energy: -7.591
tors. eta vs tors. theta energy: -8.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -126.880234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.880234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.880234 (E_RNA)
where:
Base-Base interactions energy: -89.651
where: short stacking energy: -38.185
Base-Backbone interact. energy: -1.165
local terms energy: -36.063474
where:
bonds (distance) C4'-P energy: -5.922
bonds (distance) P-C4' energy: -7.710
flat angles C4'-P-C4' energy: -6.305
flat angles P-C4'-P energy: -6.612
tors. eta vs tors. theta energy: -9.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -133.784912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.784912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.784912 (E_RNA)
where:
Base-Base interactions energy: -92.411
where: short stacking energy: -42.564
Base-Backbone interact. energy: -1.411
local terms energy: -39.962881
where:
bonds (distance) C4'-P energy: -9.192
bonds (distance) P-C4' energy: -7.988
flat angles C4'-P-C4' energy: -6.315
flat angles P-C4'-P energy: -6.618
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: 9, replica: 4
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -58.832073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.832073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.832073 (E_RNA)
where:
Base-Base interactions energy: -22.400
where: short stacking energy: -18.161
Base-Backbone interact. energy: -0.065
local terms energy: -36.367131
where:
bonds (distance) C4'-P energy: -9.031
bonds (distance) P-C4' energy: -10.137
flat angles C4'-P-C4' energy: -10.090
flat angles P-C4'-P energy: -6.436
tors. eta vs tors. theta energy: -0.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -62.627894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.627894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.627894 (E_RNA)
where:
Base-Base interactions energy: -32.726
where: short stacking energy: -32.726
Base-Backbone interact. energy: -0.096
local terms energy: -29.806392
where:
bonds (distance) C4'-P energy: -6.212
bonds (distance) P-C4' energy: -7.132
flat angles C4'-P-C4' energy: -8.529
flat angles P-C4'-P energy: -3.816
tors. eta vs tors. theta energy: -4.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -145.073085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.073085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.073085 (E_RNA)
where:
Base-Base interactions energy: -96.890
where: short stacking energy: -45.775
Base-Backbone interact. energy: -2.485
local terms energy: -45.698677
where:
bonds (distance) C4'-P energy: -8.335
bonds (distance) P-C4' energy: -10.127
flat angles C4'-P-C4' energy: -8.550
flat angles P-C4'-P energy: -7.007
tors. eta vs tors. theta energy: -11.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -144.395271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.395271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.395271 (E_RNA)
where:
Base-Base interactions energy: -105.819
where: short stacking energy: -42.525
Base-Backbone interact. energy: -0.013
local terms energy: -38.563318
where:
bonds (distance) C4'-P energy: -9.270
bonds (distance) P-C4' energy: -9.538
flat angles C4'-P-C4' energy: -6.253
flat angles P-C4'-P energy: -4.864
tors. eta vs tors. theta energy: -8.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -141.889676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.889676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.889676 (E_RNA)
where:
Base-Base interactions energy: -96.359
where: short stacking energy: -44.615
Base-Backbone interact. energy: -0.607
local terms energy: -44.923699
where:
bonds (distance) C4'-P energy: -10.454
bonds (distance) P-C4' energy: -6.838
flat angles C4'-P-C4' energy: -8.503
flat angles P-C4'-P energy: -7.383
tors. eta vs tors. theta energy: -11.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -133.532747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.532747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.532747 (E_RNA)
where:
Base-Base interactions energy: -89.757
where: short stacking energy: -43.533
Base-Backbone interact. energy: -0.186
local terms energy: -43.589824
where:
bonds (distance) C4'-P energy: -8.828
bonds (distance) P-C4' energy: -10.616
flat angles C4'-P-C4' energy: -10.097
flat angles P-C4'-P energy: -4.800
tors. eta vs tors. theta energy: -9.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -126.966165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.966165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.966165 (E_RNA)
where:
Base-Base interactions energy: -85.254
where: short stacking energy: -37.459
Base-Backbone interact. energy: -0.597
local terms energy: -41.115239
where:
bonds (distance) C4'-P energy: -10.061
bonds (distance) P-C4' energy: -8.787
flat angles C4'-P-C4' energy: -6.985
flat angles P-C4'-P energy: -8.017
tors. eta vs tors. theta energy: -7.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -135.178402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.178402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.178402 (E_RNA)
where:
Base-Base interactions energy: -91.337
where: short stacking energy: -42.057
Base-Backbone interact. energy: -0.184
local terms energy: -43.657622
where:
bonds (distance) C4'-P energy: -9.921
bonds (distance) P-C4' energy: -10.190
flat angles C4'-P-C4' energy: -6.949
flat angles P-C4'-P energy: -6.544
tors. eta vs tors. theta energy: -10.053
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: 6
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -132.702045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.702045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.702045 (E_RNA)
where:
Base-Base interactions energy: -88.692
where: short stacking energy: -43.178
Base-Backbone interact. energy: -0.005
local terms energy: -44.005098
where:
bonds (distance) C4'-P energy: -9.652
bonds (distance) P-C4' energy: -8.848
flat angles C4'-P-C4' energy: -9.618
flat angles P-C4'-P energy: -7.998
tors. eta vs tors. theta energy: -7.889
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: 3
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -119.040533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.040533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.040533 (E_RNA)
where:
Base-Base interactions energy: -86.355
where: short stacking energy: -40.785
Base-Backbone interact. energy: -0.020
local terms energy: -32.665471
where:
bonds (distance) C4'-P energy: -5.064
bonds (distance) P-C4' energy: -8.174
flat angles C4'-P-C4' energy: -5.874
flat angles P-C4'-P energy: -5.443
tors. eta vs tors. theta energy: -8.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -71.507065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.507065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.507065 (E_RNA)
where:
Base-Base interactions energy: -37.267
where: short stacking energy: -27.070
Base-Backbone interact. energy: -0.169
local terms energy: -34.071135
where:
bonds (distance) C4'-P energy: -8.090
bonds (distance) P-C4' energy: -10.416
flat angles C4'-P-C4' energy: -9.772
flat angles P-C4'-P energy: -3.069
tors. eta vs tors. theta energy: -2.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -58.539993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.539993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.539993 (E_RNA)
where:
Base-Base interactions energy: -30.898
where: short stacking energy: -27.468
Base-Backbone interact. energy: -0.005
local terms energy: -27.637569
where:
bonds (distance) C4'-P energy: -4.233
bonds (distance) P-C4' energy: -10.910
flat angles C4'-P-C4' energy: -8.199
flat angles P-C4'-P energy: -3.317
tors. eta vs tors. theta energy: -0.979
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: 8
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -150.580139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.580139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.580139 (E_RNA)
where:
Base-Base interactions energy: -110.719
where: short stacking energy: -42.984
Base-Backbone interact. energy: -0.004
local terms energy: -39.857907
where:
bonds (distance) C4'-P energy: -8.447
bonds (distance) P-C4' energy: -10.067
flat angles C4'-P-C4' energy: -8.124
flat angles P-C4'-P energy: -3.456
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: 2, replica: 9
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -143.097364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.097364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.097364 (E_RNA)
where:
Base-Base interactions energy: -94.344
where: short stacking energy: -45.677
Base-Backbone interact. energy: -1.254
local terms energy: -47.499824
where:
bonds (distance) C4'-P energy: -7.863
bonds (distance) P-C4' energy: -10.433
flat angles C4'-P-C4' energy: -9.835
flat angles P-C4'-P energy: -8.585
tors. eta vs tors. theta energy: -10.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -140.005318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.005318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.005318 (E_RNA)
where:
Base-Base interactions energy: -96.072
where: short stacking energy: -44.490
Base-Backbone interact. energy: -0.047
local terms energy: -43.886542
where:
bonds (distance) C4'-P energy: -9.697
bonds (distance) P-C4' energy: -9.982
flat angles C4'-P-C4' energy: -9.407
flat angles P-C4'-P energy: -6.396
tors. eta vs tors. theta energy: -8.405
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: 4, replica: 5
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -129.307816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.307816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.307816 (E_RNA)
where:
Base-Base interactions energy: -87.357
where: short stacking energy: -42.674
Base-Backbone interact. energy: -0.219
local terms energy: -41.731740
where:
bonds (distance) C4'-P energy: -9.064
bonds (distance) P-C4' energy: -6.342
flat angles C4'-P-C4' energy: -7.727
flat angles P-C4'-P energy: -7.619
tors. eta vs tors. theta energy: -10.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -134.923793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.923793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.923793 (E_RNA)
where:
Base-Base interactions energy: -91.186
where: short stacking energy: -43.219
Base-Backbone interact. energy: -0.700
local terms energy: -43.038075
where:
bonds (distance) C4'-P energy: -9.213
bonds (distance) P-C4' energy: -7.674
flat angles C4'-P-C4' energy: -8.278
flat angles P-C4'-P energy: -8.505
tors. eta vs tors. theta energy: -9.368
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: 1
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -128.522294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.522294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.522294 (E_RNA)
where:
Base-Base interactions energy: -90.139
where: short stacking energy: -37.047
Base-Backbone interact. energy: -0.000
local terms energy: -38.382746
where:
bonds (distance) C4'-P energy: -7.991
bonds (distance) P-C4' energy: -9.361
flat angles C4'-P-C4' energy: -7.688
flat angles P-C4'-P energy: -6.018
tors. eta vs tors. theta energy: -7.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -133.318023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.318023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.318023 (E_RNA)
where:
Base-Base interactions energy: -87.675
where: short stacking energy: -40.290
Base-Backbone interact. energy: -1.662
local terms energy: -43.980929
where:
bonds (distance) C4'-P energy: -9.051
bonds (distance) P-C4' energy: -9.109
flat angles C4'-P-C4' energy: -7.881
flat angles P-C4'-P energy: -6.568
tors. eta vs tors. theta energy: -11.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -125.952288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.952288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.952288 (E_RNA)
where:
Base-Base interactions energy: -86.729
where: short stacking energy: -40.368
Base-Backbone interact. energy: -0.000
local terms energy: -39.223441
where:
bonds (distance) C4'-P energy: -10.454
bonds (distance) P-C4' energy: -8.839
flat angles C4'-P-C4' energy: -8.243
flat angles P-C4'-P energy: -2.823
tors. eta vs tors. theta energy: -8.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -62.662129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.662129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.662129 (E_RNA)
where:
Base-Base interactions energy: -30.698
where: short stacking energy: -30.698
Base-Backbone interact. energy: -0.001
local terms energy: -31.962507
where:
bonds (distance) C4'-P energy: -5.189
bonds (distance) P-C4' energy: -9.137
flat angles C4'-P-C4' energy: -6.546
flat angles P-C4'-P energy: -3.243
tors. eta vs tors. theta energy: -7.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -65.769833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.769833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.769833 (E_RNA)
where:
Base-Base interactions energy: -28.346
where: short stacking energy: -25.439
Base-Backbone interact. energy: 0.690
local terms energy: -38.113801
where:
bonds (distance) C4'-P energy: -8.588
bonds (distance) P-C4' energy: -11.603
flat angles C4'-P-C4' energy: -9.581
flat angles P-C4'-P energy: -2.927
tors. eta vs tors. theta energy: -5.414
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: 8
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -141.355440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.355440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.355440 (E_RNA)
where:
Base-Base interactions energy: -98.503
where: short stacking energy: -44.350
Base-Backbone interact. energy: -0.009
local terms energy: -42.843932
where:
bonds (distance) C4'-P energy: -8.794
bonds (distance) P-C4' energy: -9.407
flat angles C4'-P-C4' energy: -9.457
flat angles P-C4'-P energy: -5.628
tors. eta vs tors. theta energy: -9.558
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: 2, replica: 9
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -143.171819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.171819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.171819 (E_RNA)
where:
Base-Base interactions energy: -99.044
where: short stacking energy: -45.960
Base-Backbone interact. energy: -0.952
local terms energy: -43.175585
where:
bonds (distance) C4'-P energy: -6.963
bonds (distance) P-C4' energy: -9.548
flat angles C4'-P-C4' energy: -9.057
flat angles P-C4'-P energy: -7.850
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: 3, replica: 10
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -136.857421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.857421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.857421 (E_RNA)
where:
Base-Base interactions energy: -96.049
where: short stacking energy: -44.207
Base-Backbone interact. energy: -1.149
local terms energy: -39.660255
where:
bonds (distance) C4'-P energy: -7.984
bonds (distance) P-C4' energy: -9.865
flat angles C4'-P-C4' energy: -7.389
flat angles P-C4'-P energy: -6.397
tors. eta vs tors. theta energy: -8.025
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: 7
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -136.652374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.652374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.652374 (E_RNA)
where:
Base-Base interactions energy: -98.975
where: short stacking energy: -40.253
Base-Backbone interact. energy: -0.029
local terms energy: -37.647925
where:
bonds (distance) C4'-P energy: -9.279
bonds (distance) P-C4' energy: -8.429
flat angles C4'-P-C4' energy: -9.113
flat angles P-C4'-P energy: -2.887
tors. eta vs tors. theta energy: -7.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -129.801433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.801433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.801433 (E_RNA)
where:
Base-Base interactions energy: -90.403
where: short stacking energy: -40.212
Base-Backbone interact. energy: -0.657
local terms energy: -38.741846
where:
bonds (distance) C4'-P energy: -6.013
bonds (distance) P-C4' energy: -5.881
flat angles C4'-P-C4' energy: -10.196
flat angles P-C4'-P energy: -5.898
tors. eta vs tors. theta energy: -10.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -134.537755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.537755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.537755 (E_RNA)
where:
Base-Base interactions energy: -94.175
where: short stacking energy: -43.948
Base-Backbone interact. energy: -0.990
local terms energy: -39.372611
where:
bonds (distance) C4'-P energy: -8.786
bonds (distance) P-C4' energy: -5.411
flat angles C4'-P-C4' energy: -8.329
flat angles P-C4'-P energy: -7.036
tors. eta vs tors. theta energy: -9.812
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: 1
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -132.841110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.841110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.841110 (E_RNA)
where:
Base-Base interactions energy: -94.685
where: short stacking energy: -43.640
Base-Backbone interact. energy: -1.085
local terms energy: -37.071887
where:
bonds (distance) C4'-P energy: -10.153
bonds (distance) P-C4' energy: -5.066
flat angles C4'-P-C4' energy: -9.338
flat angles P-C4'-P energy: -5.150
tors. eta vs tors. theta energy: -7.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -118.034631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.034631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.034631 (E_RNA)
where:
Base-Base interactions energy: -84.394
where: short stacking energy: -42.098
Base-Backbone interact. energy: -0.343
local terms energy: -33.297587
where:
bonds (distance) C4'-P energy: -3.909
bonds (distance) P-C4' energy: -9.168
flat angles C4'-P-C4' energy: -8.993
flat angles P-C4'-P energy: -3.280
tors. eta vs tors. theta energy: -7.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -62.187196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.187196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.187196 (E_RNA)
where:
Base-Base interactions energy: -30.985
where: short stacking energy: -15.614
Base-Backbone interact. energy: -0.120
local terms energy: -31.082006
where:
bonds (distance) C4'-P energy: -7.871
bonds (distance) P-C4' energy: -6.886
flat angles C4'-P-C4' energy: -9.124
flat angles P-C4'-P energy: -7.537
tors. eta vs tors. theta energy: 0.336
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: 4
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -61.005781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.005781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.005781 (E_RNA)
where:
Base-Base interactions energy: -31.636
where: short stacking energy: -13.573
Base-Backbone interact. energy: -0.058
local terms energy: -29.311956
where:
bonds (distance) C4'-P energy: -8.288
bonds (distance) P-C4' energy: -7.708
flat angles C4'-P-C4' energy: -6.828
flat angles P-C4'-P energy: -4.856
tors. eta vs tors. theta energy: -1.632
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: 1, replica: 8
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -140.163422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.163422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.163422 (E_RNA)
where:
Base-Base interactions energy: -93.830
where: short stacking energy: -43.529
Base-Backbone interact. energy: -1.206
local terms energy: -45.127448
where:
bonds (distance) C4'-P energy: -8.161
bonds (distance) P-C4' energy: -8.632
flat angles C4'-P-C4' energy: -8.336
flat angles P-C4'-P energy: -8.629
tors. eta vs tors. theta energy: -11.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -140.089418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.089418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.089418 (E_RNA)
where:
Base-Base interactions energy: -90.218
where: short stacking energy: -41.669
Base-Backbone interact. energy: -1.851
local terms energy: -48.020479
where:
bonds (distance) C4'-P energy: -8.757
bonds (distance) P-C4' energy: -11.342
flat angles C4'-P-C4' energy: -11.377
flat angles P-C4'-P energy: -6.331
tors. eta vs tors. theta energy: -10.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -140.662235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.662235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.662235 (E_RNA)
where:
Base-Base interactions energy: -95.798
where: short stacking energy: -44.976
Base-Backbone interact. energy: 0.097
local terms energy: -44.960630
where:
bonds (distance) C4'-P energy: -5.830
bonds (distance) P-C4' energy: -11.131
flat angles C4'-P-C4' energy: -10.782
flat angles P-C4'-P energy: -7.234
tors. eta vs tors. theta energy: -9.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -132.904760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.904760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.904760 (E_RNA)
where:
Base-Base interactions energy: -96.363
where: short stacking energy: -39.751
Base-Backbone interact. energy: -0.023
local terms energy: -36.519259
where:
bonds (distance) C4'-P energy: -8.624
bonds (distance) P-C4' energy: -10.193
flat angles C4'-P-C4' energy: -5.779
flat angles P-C4'-P energy: -3.888
tors. eta vs tors. theta energy: -8.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -127.591817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.591817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.591817 (E_RNA)
where:
Base-Base interactions energy: -86.472
where: short stacking energy: -41.198
Base-Backbone interact. energy: -0.111
local terms energy: -41.008441
where:
bonds (distance) C4'-P energy: -9.299
bonds (distance) P-C4' energy: -7.778
flat angles C4'-P-C4' energy: -8.292
flat angles P-C4'-P energy: -7.584
tors. eta vs tors. theta energy: -8.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -127.907166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.907166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.907166 (E_RNA)
where:
Base-Base interactions energy: -90.911
where: short stacking energy: -40.911
Base-Backbone interact. energy: -0.192
local terms energy: -36.805086
where:
bonds (distance) C4'-P energy: -9.378
bonds (distance) P-C4' energy: -6.868
flat angles C4'-P-C4' energy: -8.704
flat angles P-C4'-P energy: -6.743
tors. eta vs tors. theta energy: -5.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -133.193775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.193775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.193775 (E_RNA)
where:
Base-Base interactions energy: -88.233
where: short stacking energy: -39.395
Base-Backbone interact. energy: -0.261
local terms energy: -44.699318
where:
bonds (distance) C4'-P energy: -6.140
bonds (distance) P-C4' energy: -10.849
flat angles C4'-P-C4' energy: -10.634
flat angles P-C4'-P energy: -6.989
tors. eta vs tors. theta energy: -10.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -75.981333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.981333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.981333 (E_RNA)
where:
Base-Base interactions energy: -32.563
where: short stacking energy: -32.042
Base-Backbone interact. energy: -0.000
local terms energy: -43.418507
where:
bonds (distance) C4'-P energy: -7.375
bonds (distance) P-C4' energy: -10.863
flat angles C4'-P-C4' energy: -7.972
flat angles P-C4'-P energy: -6.577
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: 9, replica: 4
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -66.128381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.128381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.128381 (E_RNA)
where:
Base-Base interactions energy: -33.398
where: short stacking energy: -13.110
Base-Backbone interact. energy: -0.053
local terms energy: -32.677863
where:
bonds (distance) C4'-P energy: -8.679
bonds (distance) P-C4' energy: -10.122
flat angles C4'-P-C4' energy: -9.423
flat angles P-C4'-P energy: -1.143
tors. eta vs tors. theta energy: -3.311
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: 2
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -54.643583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.643583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.643583 (E_RNA)
where:
Base-Base interactions energy: -25.457
where: short stacking energy: -25.457
Base-Backbone interact. energy: -0.133
local terms energy: -29.053537
where:
bonds (distance) C4'-P energy: -8.426
bonds (distance) P-C4' energy: -8.838
flat angles C4'-P-C4' energy: -6.337
flat angles P-C4'-P energy: -5.179
tors. eta vs tors. theta energy: -0.274
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: 1, replica: 8
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -141.710099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.710099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.710099 (E_RNA)
where:
Base-Base interactions energy: -98.035
where: short stacking energy: -46.768
Base-Backbone interact. energy: -1.362
local terms energy: -42.312617
where:
bonds (distance) C4'-P energy: -9.779
bonds (distance) P-C4' energy: -9.703
flat angles C4'-P-C4' energy: -7.584
flat angles P-C4'-P energy: -5.628
tors. eta vs tors. theta energy: -9.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -146.242828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.242828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.242828 (E_RNA)
where:
Base-Base interactions energy: -97.521
where: short stacking energy: -44.969
Base-Backbone interact. energy: -1.321
local terms energy: -47.400348
where:
bonds (distance) C4'-P energy: -9.204
bonds (distance) P-C4' energy: -10.186
flat angles C4'-P-C4' energy: -10.392
flat angles P-C4'-P energy: -6.858
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: 3, replica: 9
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -140.040885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.040885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.040885 (E_RNA)
where:
Base-Base interactions energy: -98.609
where: short stacking energy: -43.631
Base-Backbone interact. energy: -0.139
local terms energy: -41.292305
where:
bonds (distance) C4'-P energy: -9.265
bonds (distance) P-C4' energy: -8.495
flat angles C4'-P-C4' energy: -8.621
flat angles P-C4'-P energy: -5.460
tors. eta vs tors. theta energy: -9.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -138.909376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.909376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.909376 (E_RNA)
where:
Base-Base interactions energy: -97.932
where: short stacking energy: -46.573
Base-Backbone interact. energy: 2.590
local terms energy: -43.567294
where:
bonds (distance) C4'-P energy: -7.668
bonds (distance) P-C4' energy: -10.567
flat angles C4'-P-C4' energy: -10.421
flat angles P-C4'-P energy: -6.848
tors. eta vs tors. theta energy: -8.063
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: 10
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -133.430456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.430456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.430456 (E_RNA)
where:
Base-Base interactions energy: -89.118
where: short stacking energy: -41.849
Base-Backbone interact. energy: -0.224
local terms energy: -44.088296
where:
bonds (distance) C4'-P energy: -8.766
bonds (distance) P-C4' energy: -10.917
flat angles C4'-P-C4' energy: -10.635
flat angles P-C4'-P energy: -4.236
tors. eta vs tors. theta energy: -9.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -131.719876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.719876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.719876 (E_RNA)
where:
Base-Base interactions energy: -94.171
where: short stacking energy: -45.073
Base-Backbone interact. energy: -1.717
local terms energy: -35.831656
where:
bonds (distance) C4'-P energy: -7.180
bonds (distance) P-C4' energy: -9.077
flat angles C4'-P-C4' energy: -8.022
flat angles P-C4'-P energy: -4.969
tors. eta vs tors. theta energy: -6.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -126.180829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.180829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.180829 (E_RNA)
where:
Base-Base interactions energy: -90.245
where: short stacking energy: -39.430
Base-Backbone interact. energy: 0.425
local terms energy: -36.360462
where:
bonds (distance) C4'-P energy: -4.569
bonds (distance) P-C4' energy: -8.306
flat angles C4'-P-C4' energy: -8.753
flat angles P-C4'-P energy: -6.861
tors. eta vs tors. theta energy: -7.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -116.736257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.736257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.736257 (E_RNA)
where:
Base-Base interactions energy: -78.639
where: short stacking energy: -28.909
Base-Backbone interact. energy: -0.055
local terms energy: -38.042963
where:
bonds (distance) C4'-P energy: -9.787
bonds (distance) P-C4' energy: -10.419
flat angles C4'-P-C4' energy: -8.256
flat angles P-C4'-P energy: -3.503
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: 9, replica: 6
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -61.258932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.258932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.258932 (E_RNA)
where:
Base-Base interactions energy: -38.446
where: short stacking energy: -27.507
Base-Backbone interact. energy: 0.342
local terms energy: -23.154281
where:
bonds (distance) C4'-P energy: -8.898
bonds (distance) P-C4' energy: -0.458
flat angles C4'-P-C4' energy: -7.560
flat angles P-C4'-P energy: -2.585
tors. eta vs tors. theta energy: -3.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -54.249391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.249391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.249391 (E_RNA)
where:
Base-Base interactions energy: -20.226
where: short stacking energy: -20.226
Base-Backbone interact. energy: -0.126
local terms energy: -33.897361
where:
bonds (distance) C4'-P energy: -5.052
bonds (distance) P-C4' energy: -8.746
flat angles C4'-P-C4' energy: -9.886
flat angles P-C4'-P energy: -7.589
tors. eta vs tors. theta energy: -2.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -142.975014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.975014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.975014 (E_RNA)
where:
Base-Base interactions energy: -94.693
where: short stacking energy: -43.646
Base-Backbone interact. energy: -1.226
local terms energy: -47.056028
where:
bonds (distance) C4'-P energy: -9.929
bonds (distance) P-C4' energy: -11.099
flat angles C4'-P-C4' energy: -8.709
flat angles P-C4'-P energy: -7.542
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: 2, replica: 7
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -137.985336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.985336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.985336 (E_RNA)
where:
Base-Base interactions energy: -89.538
where: short stacking energy: -41.780
Base-Backbone interact. energy: -1.670
local terms energy: -46.777417
where:
bonds (distance) C4'-P energy: -10.640
bonds (distance) P-C4' energy: -10.147
flat angles C4'-P-C4' energy: -9.872
flat angles P-C4'-P energy: -6.204
tors. eta vs tors. theta energy: -9.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -139.840703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.840703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.840703 (E_RNA)
where:
Base-Base interactions energy: -93.389
where: short stacking energy: -42.639
Base-Backbone interact. energy: -1.369
local terms energy: -45.082445
where:
bonds (distance) C4'-P energy: -8.981
bonds (distance) P-C4' energy: -10.168
flat angles C4'-P-C4' energy: -10.088
flat angles P-C4'-P energy: -5.156
tors. eta vs tors. theta energy: -10.689
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: 4, replica: 5
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -137.168420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.168420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.168420 (E_RNA)
where:
Base-Base interactions energy: -95.081
where: short stacking energy: -45.466
Base-Backbone interact. energy: -1.204
local terms energy: -40.883626
where:
bonds (distance) C4'-P energy: -8.099
bonds (distance) P-C4' energy: -8.683
flat angles C4'-P-C4' energy: -8.032
flat angles P-C4'-P energy: -6.564
tors. eta vs tors. theta energy: -9.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -130.326065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.326065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.326065 (E_RNA)
where:
Base-Base interactions energy: -85.144
where: short stacking energy: -41.692
Base-Backbone interact. energy: -0.036
local terms energy: -45.146678
where:
bonds (distance) C4'-P energy: -10.446
bonds (distance) P-C4' energy: -11.110
flat angles C4'-P-C4' energy: -7.795
flat angles P-C4'-P energy: -5.668
tors. eta vs tors. theta energy: -10.128
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: 10
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -129.775825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.775825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.775825 (E_RNA)
where:
Base-Base interactions energy: -89.313
where: short stacking energy: -41.380
Base-Backbone interact. energy: -0.002
local terms energy: -40.461048
where:
bonds (distance) C4'-P energy: -9.299
bonds (distance) P-C4' energy: -8.851
flat angles C4'-P-C4' energy: -8.121
flat angles P-C4'-P energy: -7.040
tors. eta vs tors. theta energy: -7.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -125.188689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.188689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.188689 (E_RNA)
where:
Base-Base interactions energy: -82.759
where: short stacking energy: -38.032
Base-Backbone interact. energy: -1.106
local terms energy: -41.324244
where:
bonds (distance) C4'-P energy: -3.988
bonds (distance) P-C4' energy: -8.876
flat angles C4'-P-C4' energy: -9.732
flat angles P-C4'-P energy: -8.133
tors. eta vs tors. theta energy: -10.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -124.814600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.814600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.814600 (E_RNA)
where:
Base-Base interactions energy: -86.791
where: short stacking energy: -33.326
Base-Backbone interact. energy: -0.008
local terms energy: -38.014960
where:
bonds (distance) C4'-P energy: -5.350
bonds (distance) P-C4' energy: -7.239
flat angles C4'-P-C4' energy: -10.693
flat angles P-C4'-P energy: -4.990
tors. eta vs tors. theta energy: -9.741
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: 2
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -69.247417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.247417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.247417 (E_RNA)
where:
Base-Base interactions energy: -30.264
where: short stacking energy: -28.251
Base-Backbone interact. energy: -0.005
local terms energy: -38.978339
where:
bonds (distance) C4'-P energy: -9.404
bonds (distance) P-C4' energy: -8.658
flat angles C4'-P-C4' energy: -8.575
flat angles P-C4'-P energy: -5.584
tors. eta vs tors. theta energy: -6.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -58.411472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.411472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.411472 (E_RNA)
where:
Base-Base interactions energy: -30.444
where: short stacking energy: -30.444
Base-Backbone interact. energy: -0.011
local terms energy: -27.955840
where:
bonds (distance) C4'-P energy: -6.770
bonds (distance) P-C4' energy: -10.215
flat angles C4'-P-C4' energy: -4.778
flat angles P-C4'-P energy: -0.032
tors. eta vs tors. theta energy: -6.162
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: 8
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -140.731132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.731132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.731132 (E_RNA)
where:
Base-Base interactions energy: -92.849
where: short stacking energy: -44.848
Base-Backbone interact. energy: -1.861
local terms energy: -46.021333
where:
bonds (distance) C4'-P energy: -9.519
bonds (distance) P-C4' energy: -9.340
flat angles C4'-P-C4' energy: -7.227
flat angles P-C4'-P energy: -8.794
tors. eta vs tors. theta energy: -11.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -141.623667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.623667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.623667 (E_RNA)
where:
Base-Base interactions energy: -95.367
where: short stacking energy: -44.193
Base-Backbone interact. energy: -0.001
local terms energy: -46.255621
where:
bonds (distance) C4'-P energy: -9.680
bonds (distance) P-C4' energy: -9.432
flat angles C4'-P-C4' energy: -9.600
flat angles P-C4'-P energy: -5.899
tors. eta vs tors. theta energy: -11.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -140.536984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.536984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.536984 (E_RNA)
where:
Base-Base interactions energy: -97.632
where: short stacking energy: -45.399
Base-Backbone interact. energy: -1.043
local terms energy: -41.862506
where:
bonds (distance) C4'-P energy: -10.090
bonds (distance) P-C4' energy: -6.603
flat angles C4'-P-C4' energy: -8.329
flat angles P-C4'-P energy: -6.616
tors. eta vs tors. theta energy: -10.224
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: 5
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -134.088448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.088448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.088448 (E_RNA)
where:
Base-Base interactions energy: -91.370
where: short stacking energy: -42.737
Base-Backbone interact. energy: -1.766
local terms energy: -40.952185
where:
bonds (distance) C4'-P energy: -6.779
bonds (distance) P-C4' energy: -9.116
flat angles C4'-P-C4' energy: -7.077
flat angles P-C4'-P energy: -6.334
tors. eta vs tors. theta energy: -11.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -131.507789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.507789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.507789 (E_RNA)
where:
Base-Base interactions energy: -91.602
where: short stacking energy: -44.269
Base-Backbone interact. energy: -0.015
local terms energy: -39.890658
where:
bonds (distance) C4'-P energy: -6.261
bonds (distance) P-C4' energy: -9.536
flat angles C4'-P-C4' energy: -7.890
flat angles P-C4'-P energy: -6.374
tors. eta vs tors. theta energy: -9.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -127.117633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.117633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.117633 (E_RNA)
where:
Base-Base interactions energy: -90.571
where: short stacking energy: -44.669
Base-Backbone interact. energy: -0.883
local terms energy: -35.663923
where:
bonds (distance) C4'-P energy: -4.244
bonds (distance) P-C4' energy: -7.104
flat angles C4'-P-C4' energy: -9.569
flat angles P-C4'-P energy: -5.434
tors. eta vs tors. theta energy: -9.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -140.140783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.140783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.140783 (E_RNA)
where:
Base-Base interactions energy: -98.400
where: short stacking energy: -42.694
Base-Backbone interact. energy: -0.027
local terms energy: -41.713454
where:
bonds (distance) C4'-P energy: -6.074
bonds (distance) P-C4' energy: -8.982
flat angles C4'-P-C4' energy: -9.509
flat angles P-C4'-P energy: -8.138
tors. eta vs tors. theta energy: -9.011
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: 2
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -70.763563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.763563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.763563 (E_RNA)
where:
Base-Base interactions energy: -34.724
where: short stacking energy: -34.724
Base-Backbone interact. energy: -0.100
local terms energy: -35.939446
where:
bonds (distance) C4'-P energy: -7.478
bonds (distance) P-C4' energy: -7.069
flat angles C4'-P-C4' energy: -8.630
flat angles P-C4'-P energy: -5.483
tors. eta vs tors. theta energy: -7.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -121.832556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.832556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.832556 (E_RNA)
where:
Base-Base interactions energy: -85.320
where: short stacking energy: -35.356
Base-Backbone interact. energy: -0.283
local terms energy: -36.230060
where:
bonds (distance) C4'-P energy: -6.100
bonds (distance) P-C4' energy: -10.190
flat angles C4'-P-C4' energy: -5.332
flat angles P-C4'-P energy: -4.437
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: 10, replica: 6
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -52.954235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.954235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.954235 (E_RNA)
where:
Base-Base interactions energy: -20.935
where: short stacking energy: -16.573
Base-Backbone interact. energy: -0.351
local terms energy: -31.668409
where:
bonds (distance) C4'-P energy: -6.537
bonds (distance) P-C4' energy: -9.904
flat angles C4'-P-C4' energy: -7.266
flat angles P-C4'-P energy: -6.572
tors. eta vs tors. theta energy: -1.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -141.497170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.497170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.497170 (E_RNA)
where:
Base-Base interactions energy: -97.978
where: short stacking energy: -45.674
Base-Backbone interact. energy: -0.246
local terms energy: -43.272571
where:
bonds (distance) C4'-P energy: -9.967
bonds (distance) P-C4' energy: -9.414
flat angles C4'-P-C4' energy: -9.300
flat angles P-C4'-P energy: -5.968
tors. eta vs tors. theta energy: -8.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -143.715364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.715364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.715364 (E_RNA)
where:
Base-Base interactions energy: -98.689
where: short stacking energy: -47.428
Base-Backbone interact. energy: -2.098
local terms energy: -42.929106
where:
bonds (distance) C4'-P energy: -6.162
bonds (distance) P-C4' energy: -10.870
flat angles C4'-P-C4' energy: -7.948
flat angles P-C4'-P energy: -8.304
tors. eta vs tors. theta energy: -9.645
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: 5
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -137.959842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.959842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.959842 (E_RNA)
where:
Base-Base interactions energy: -93.081
where: short stacking energy: -42.292
Base-Backbone interact. energy: -0.665
local terms energy: -44.214436
where:
bonds (distance) C4'-P energy: -8.885
bonds (distance) P-C4' energy: -10.186
flat angles C4'-P-C4' energy: -9.901
flat angles P-C4'-P energy: -6.889
tors. eta vs tors. theta energy: -8.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -130.837919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.837919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.837919 (E_RNA)
where:
Base-Base interactions energy: -88.901
where: short stacking energy: -33.276
Base-Backbone interact. energy: -0.384
local terms energy: -41.553302
where:
bonds (distance) C4'-P energy: -8.546
bonds (distance) P-C4' energy: -11.131
flat angles C4'-P-C4' energy: -9.266
flat angles P-C4'-P energy: -7.975
tors. eta vs tors. theta energy: -4.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -133.052922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.052922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.052922 (E_RNA)
where:
Base-Base interactions energy: -95.487
where: short stacking energy: -39.614
Base-Backbone interact. energy: -0.028
local terms energy: -37.537744
where:
bonds (distance) C4'-P energy: -5.444
bonds (distance) P-C4' energy: -7.856
flat angles C4'-P-C4' energy: -9.397
flat angles P-C4'-P energy: -6.920
tors. eta vs tors. theta energy: -7.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -132.673448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.673448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.673448 (E_RNA)
where:
Base-Base interactions energy: -91.037
where: short stacking energy: -40.974
Base-Backbone interact. energy: -1.694
local terms energy: -39.941987
where:
bonds (distance) C4'-P energy: -9.308
bonds (distance) P-C4' energy: -9.774
flat angles C4'-P-C4' energy: -6.747
flat angles P-C4'-P energy: -6.015
tors. eta vs tors. theta energy: -8.098
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: 2
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -64.331025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.331025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.331025 (E_RNA)
where:
Base-Base interactions energy: -33.810
where: short stacking energy: -24.215
Base-Backbone interact. energy: -0.101
local terms energy: -30.420956
where:
bonds (distance) C4'-P energy: -3.104
bonds (distance) P-C4' energy: -9.328
flat angles C4'-P-C4' energy: -9.220
flat angles P-C4'-P energy: -6.892
tors. eta vs tors. theta energy: -1.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -122.681060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.681060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.681060 (E_RNA)
where:
Base-Base interactions energy: -81.531
where: short stacking energy: -34.340
Base-Backbone interact. energy: -0.330
local terms energy: -40.819316
where:
bonds (distance) C4'-P energy: -9.299
bonds (distance) P-C4' energy: -11.128
flat angles C4'-P-C4' energy: -11.009
flat angles P-C4'-P energy: -3.697
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: 9, replica: 3
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -127.478554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.478554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.478554 (E_RNA)
where:
Base-Base interactions energy: -85.550
where: short stacking energy: -43.678
Base-Backbone interact. energy: -0.433
local terms energy: -41.495009
where:
bonds (distance) C4'-P energy: -7.568
bonds (distance) P-C4' energy: -9.116
flat angles C4'-P-C4' energy: -6.709
flat angles P-C4'-P energy: -6.846
tors. eta vs tors. theta energy: -11.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -59.319175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.319175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.319175 (E_RNA)
where:
Base-Base interactions energy: -24.988
where: short stacking energy: -24.988
Base-Backbone interact. energy: -0.001
local terms energy: -34.330137
where:
bonds (distance) C4'-P energy: -8.948
bonds (distance) P-C4' energy: -7.732
flat angles C4'-P-C4' energy: -8.859
flat angles P-C4'-P energy: -5.491
tors. eta vs tors. theta energy: -3.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -139.778753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.778753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.778753 (E_RNA)
where:
Base-Base interactions energy: -97.573
where: short stacking energy: -45.685
Base-Backbone interact. energy: -0.020
local terms energy: -42.185559
where:
bonds (distance) C4'-P energy: -8.328
bonds (distance) P-C4' energy: -9.671
flat angles C4'-P-C4' energy: -8.365
flat angles P-C4'-P energy: -6.453
tors. eta vs tors. theta energy: -9.368
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: 335
Temperature: 0.950000
Total energy: -134.010125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.010125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.010125 (E_RNA)
where:
Base-Base interactions energy: -90.144
where: short stacking energy: -39.816
Base-Backbone interact. energy: -2.022
local terms energy: -41.843842
where:
bonds (distance) C4'-P energy: -9.254
bonds (distance) P-C4' energy: -9.475
flat angles C4'-P-C4' energy: -7.275
flat angles P-C4'-P energy: -6.402
tors. eta vs tors. theta energy: -9.438
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: 8
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -133.224133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.224133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.224133 (E_RNA)
where:
Base-Base interactions energy: -87.319
where: short stacking energy: -41.191
Base-Backbone interact. energy: -1.373
local terms energy: -44.532658
where:
bonds (distance) C4'-P energy: -9.208
bonds (distance) P-C4' energy: -9.629
flat angles C4'-P-C4' energy: -8.765
flat angles P-C4'-P energy: -8.012
tors. eta vs tors. theta energy: -8.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -131.704845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.704845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.704845 (E_RNA)
where:
Base-Base interactions energy: -90.679
where: short stacking energy: -40.910
Base-Backbone interact. energy: -0.140
local terms energy: -40.886137
where:
bonds (distance) C4'-P energy: -9.378
bonds (distance) P-C4' energy: -8.889
flat angles C4'-P-C4' energy: -8.763
flat angles P-C4'-P energy: -5.515
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: 5, replica: 7
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -132.424080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.424080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.424080 (E_RNA)
where:
Base-Base interactions energy: -94.748
where: short stacking energy: -43.734
Base-Backbone interact. energy: -0.312
local terms energy: -37.363733
where:
bonds (distance) C4'-P energy: -3.127
bonds (distance) P-C4' energy: -8.883
flat angles C4'-P-C4' energy: -9.774
flat angles P-C4'-P energy: -5.305
tors. eta vs tors. theta energy: -10.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -132.021333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.021333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.021333 (E_RNA)
where:
Base-Base interactions energy: -91.851
where: short stacking energy: -43.367
Base-Backbone interact. energy: -0.298
local terms energy: -39.872365
where:
bonds (distance) C4'-P energy: -7.098
bonds (distance) P-C4' energy: -7.752
flat angles C4'-P-C4' energy: -9.611
flat angles P-C4'-P energy: -6.083
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: 2
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -71.529828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.529828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.529828 (E_RNA)
where:
Base-Base interactions energy: -37.235
where: short stacking energy: -25.008
Base-Backbone interact. energy: -0.079
local terms energy: -34.214921
where:
bonds (distance) C4'-P energy: -6.545
bonds (distance) P-C4' energy: -8.405
flat angles C4'-P-C4' energy: -8.193
flat angles P-C4'-P energy: -5.855
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: 8, replica: 10
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -128.962087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.962087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.962087 (E_RNA)
where:
Base-Base interactions energy: -93.201
where: short stacking energy: -44.625
Base-Backbone interact. energy: -0.095
local terms energy: -35.665810
where:
bonds (distance) C4'-P energy: -7.486
bonds (distance) P-C4' energy: -6.317
flat angles C4'-P-C4' energy: -8.192
flat angles P-C4'-P energy: -4.803
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: 9, replica: 3
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -116.547634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.547634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.547634 (E_RNA)
where:
Base-Base interactions energy: -84.034
where: short stacking energy: -36.373
Base-Backbone interact. energy: -0.099
local terms energy: -32.414986
where:
bonds (distance) C4'-P energy: -8.385
bonds (distance) P-C4' energy: -7.298
flat angles C4'-P-C4' energy: -4.605
flat angles P-C4'-P energy: -4.041
tors. eta vs tors. theta energy: -8.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -53.473335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.473335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.473335 (E_RNA)
where:
Base-Base interactions energy: -26.600
where: short stacking energy: -26.600
Base-Backbone interact. energy: -0.286
local terms energy: -26.587635
where:
bonds (distance) C4'-P energy: -4.257
bonds (distance) P-C4' energy: -9.957
flat angles C4'-P-C4' energy: -5.718
flat angles P-C4'-P energy: -3.205
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: 1, replica: 9
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -138.181170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.181170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.181170 (E_RNA)
where:
Base-Base interactions energy: -94.972
where: short stacking energy: -43.243
Base-Backbone interact. energy: -1.168
local terms energy: -42.040393
where:
bonds (distance) C4'-P energy: -7.702
bonds (distance) P-C4' energy: -9.932
flat angles C4'-P-C4' energy: -8.314
flat angles P-C4'-P energy: -7.166
tors. eta vs tors. theta energy: -8.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -142.505792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.505792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.505792 (E_RNA)
where:
Base-Base interactions energy: -96.126
where: short stacking energy: -46.783
Base-Backbone interact. energy: -0.045
local terms energy: -46.335374
where:
bonds (distance) C4'-P energy: -7.768
bonds (distance) P-C4' energy: -9.969
flat angles C4'-P-C4' energy: -9.916
flat angles P-C4'-P energy: -8.462
tors. eta vs tors. theta energy: -10.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -139.125381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.125381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.125381 (E_RNA)
where:
Base-Base interactions energy: -92.010
where: short stacking energy: -42.470
Base-Backbone interact. energy: -0.271
local terms energy: -46.844089
where:
bonds (distance) C4'-P energy: -10.338
bonds (distance) P-C4' energy: -10.913
flat angles C4'-P-C4' energy: -9.130
flat angles P-C4'-P energy: -6.360
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: 4, replica: 8
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -132.303148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.303148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.303148 (E_RNA)
where:
Base-Base interactions energy: -92.972
where: short stacking energy: -42.090
Base-Backbone interact. energy: 0.252
local terms energy: -39.582528
where:
bonds (distance) C4'-P energy: -9.291
bonds (distance) P-C4' energy: -9.084
flat angles C4'-P-C4' energy: -8.853
flat angles P-C4'-P energy: -4.817
tors. eta vs tors. theta energy: -7.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -131.412788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.412788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.412788 (E_RNA)
where:
Base-Base interactions energy: -87.603
where: short stacking energy: -36.438
Base-Backbone interact. energy: -0.015
local terms energy: -43.794713
where:
bonds (distance) C4'-P energy: -10.524
bonds (distance) P-C4' energy: -10.670
flat angles C4'-P-C4' energy: -7.416
flat angles P-C4'-P energy: -6.705
tors. eta vs tors. theta energy: -8.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -133.810928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.810928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.810928 (E_RNA)
where:
Base-Base interactions energy: -92.795
where: short stacking energy: -44.944
Base-Backbone interact. energy: -1.092
local terms energy: -39.923680
where:
bonds (distance) C4'-P energy: -8.020
bonds (distance) P-C4' energy: -9.125
flat angles C4'-P-C4' energy: -4.514
flat angles P-C4'-P energy: -8.204
tors. eta vs tors. theta energy: -10.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -139.586443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.586443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.586443 (E_RNA)
where:
Base-Base interactions energy: -102.263
where: short stacking energy: -40.959
Base-Backbone interact. energy: -0.001
local terms energy: -37.322450
where:
bonds (distance) C4'-P energy: -9.966
bonds (distance) P-C4' energy: -9.827
flat angles C4'-P-C4' energy: -5.438
flat angles P-C4'-P energy: -2.655
tors. eta vs tors. theta energy: -9.436
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: 8, replica: 2
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -73.626916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.626916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.626916 (E_RNA)
where:
Base-Base interactions energy: -33.700
where: short stacking energy: -24.393
Base-Backbone interact. energy: -0.100
local terms energy: -39.826608
where:
bonds (distance) C4'-P energy: -8.514
bonds (distance) P-C4' energy: -11.329
flat angles C4'-P-C4' energy: -9.175
flat angles P-C4'-P energy: -5.158
tors. eta vs tors. theta energy: -5.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -97.916564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.916564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.916564 (E_RNA)
where:
Base-Base interactions energy: -63.471
where: short stacking energy: -30.940
Base-Backbone interact. energy: -0.110
local terms energy: -34.334910
where:
bonds (distance) C4'-P energy: -9.084
bonds (distance) P-C4' energy: -7.414
flat angles C4'-P-C4' energy: -7.876
flat angles P-C4'-P energy: -4.339
tors. eta vs tors. theta energy: -5.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -56.458306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.458306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.458306 (E_RNA)
where:
Base-Base interactions energy: -23.188
where: short stacking energy: -18.534
Base-Backbone interact. energy: -0.000
local terms energy: -33.269635
where:
bonds (distance) C4'-P energy: -10.045
bonds (distance) P-C4' energy: -9.387
flat angles C4'-P-C4' energy: -4.000
flat angles P-C4'-P energy: -6.220
tors. eta vs tors. theta energy: -3.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -141.574659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.574659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.574659 (E_RNA)
where:
Base-Base interactions energy: -95.540
where: short stacking energy: -45.561
Base-Backbone interact. energy: -0.740
local terms energy: -45.294912
where:
bonds (distance) C4'-P energy: -9.432
bonds (distance) P-C4' energy: -8.558
flat angles C4'-P-C4' energy: -9.789
flat angles P-C4'-P energy: -8.671
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: 2, replica: 1
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -140.249377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.249377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.249377 (E_RNA)
where:
Base-Base interactions energy: -95.192
where: short stacking energy: -45.488
Base-Backbone interact. energy: -0.176
local terms energy: -44.882287
where:
bonds (distance) C4'-P energy: -8.045
bonds (distance) P-C4' energy: -10.870
flat angles C4'-P-C4' energy: -10.154
flat angles P-C4'-P energy: -8.238
tors. eta vs tors. theta energy: -7.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -138.664198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.664198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.664198 (E_RNA)
where:
Base-Base interactions energy: -96.391
where: short stacking energy: -46.670
Base-Backbone interact. energy: -1.297
local terms energy: -40.976317
where:
bonds (distance) C4'-P energy: -4.700
bonds (distance) P-C4' energy: -9.732
flat angles C4'-P-C4' energy: -7.178
flat angles P-C4'-P energy: -8.070
tors. eta vs tors. theta energy: -11.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -136.335060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.335060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.335060 (E_RNA)
where:
Base-Base interactions energy: -92.521
where: short stacking energy: -44.151
Base-Backbone interact. energy: -0.000
local terms energy: -43.813617
where:
bonds (distance) C4'-P energy: -8.426
bonds (distance) P-C4' energy: -8.024
flat angles C4'-P-C4' energy: -9.550
flat angles P-C4'-P energy: -7.113
tors. eta vs tors. theta energy: -10.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -133.880304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.880304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.880304 (E_RNA)
where:
Base-Base interactions energy: -95.848
where: short stacking energy: -40.916
Base-Backbone interact. energy: -0.043
local terms energy: -37.989341
where:
bonds (distance) C4'-P energy: -9.050
bonds (distance) P-C4' energy: -10.088
flat angles C4'-P-C4' energy: -6.873
flat angles P-C4'-P energy: -3.954
tors. eta vs tors. theta energy: -8.025
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: 10
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -143.933489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.933489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.933489 (E_RNA)
where:
Base-Base interactions energy: -107.772
where: short stacking energy: -42.645
Base-Backbone interact. energy: -0.008
local terms energy: -36.153118
where:
bonds (distance) C4'-P energy: -6.120
bonds (distance) P-C4' energy: -10.622
flat angles C4'-P-C4' energy: -6.853
flat angles P-C4'-P energy: -4.399
tors. eta vs tors. theta energy: -8.159
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: 7
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -130.613718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.613718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.613718 (E_RNA)
where:
Base-Base interactions energy: -88.728
where: short stacking energy: -38.156
Base-Backbone interact. energy: -0.000
local terms energy: -41.884922
where:
bonds (distance) C4'-P energy: -8.679
bonds (distance) P-C4' energy: -10.064
flat angles C4'-P-C4' energy: -10.191
flat angles P-C4'-P energy: -4.192
tors. eta vs tors. theta energy: -8.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -116.990119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.990119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.990119 (E_RNA)
where:
Base-Base interactions energy: -88.187
where: short stacking energy: -39.314
Base-Backbone interact. energy: -1.457
local terms energy: -27.345872
where:
bonds (distance) C4'-P energy: -6.468
bonds (distance) P-C4' energy: -6.277
flat angles C4'-P-C4' energy: -7.637
flat angles P-C4'-P energy: -3.064
tors. eta vs tors. theta energy: -3.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -59.290924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.290924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.290924 (E_RNA)
where:
Base-Base interactions energy: -28.726
where: short stacking energy: -28.726
Base-Backbone interact. energy: -0.005
local terms energy: -30.559684
where:
bonds (distance) C4'-P energy: -5.325
bonds (distance) P-C4' energy: -11.103
flat angles C4'-P-C4' energy: -7.612
flat angles P-C4'-P energy: -0.644
tors. eta vs tors. theta energy: -5.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -63.740951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.740951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.740951 (E_RNA)
where:
Base-Base interactions energy: -35.218
where: short stacking energy: -16.598
Base-Backbone interact. energy: -0.363
local terms energy: -28.159843
where:
bonds (distance) C4'-P energy: -5.034
bonds (distance) P-C4' energy: -9.292
flat angles C4'-P-C4' energy: -7.177
flat angles P-C4'-P energy: -2.904
tors. eta vs tors. theta energy: -3.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -144.757539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.757539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.757539 (E_RNA)
where:
Base-Base interactions energy: -98.442
where: short stacking energy: -47.082
Base-Backbone interact. energy: -0.905
local terms energy: -45.410468
where:
bonds (distance) C4'-P energy: -8.691
bonds (distance) P-C4' energy: -10.091
flat angles C4'-P-C4' energy: -8.437
flat angles P-C4'-P energy: -8.666
tors. eta vs tors. theta energy: -9.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -142.380205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.380205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.380205 (E_RNA)
where:
Base-Base interactions energy: -98.939
where: short stacking energy: -45.184
Base-Backbone interact. energy: -0.010
local terms energy: -43.430981
where:
bonds (distance) C4'-P energy: -8.214
bonds (distance) P-C4' energy: -9.799
flat angles C4'-P-C4' energy: -8.274
flat angles P-C4'-P energy: -8.096
tors. eta vs tors. theta energy: -9.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -135.403462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.403462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.403462 (E_RNA)
where:
Base-Base interactions energy: -92.230
where: short stacking energy: -41.578
Base-Backbone interact. energy: -0.055
local terms energy: -43.118514
where:
bonds (distance) C4'-P energy: -9.183
bonds (distance) P-C4' energy: -8.615
flat angles C4'-P-C4' energy: -9.827
flat angles P-C4'-P energy: -7.235
tors. eta vs tors. theta energy: -8.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -138.832861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.832861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.832861 (E_RNA)
where:
Base-Base interactions energy: -96.490
where: short stacking energy: -45.498
Base-Backbone interact. energy: -0.406
local terms energy: -41.937620
where:
bonds (distance) C4'-P energy: -9.485
bonds (distance) P-C4' energy: -11.103
flat angles C4'-P-C4' energy: -6.661
flat angles P-C4'-P energy: -5.261
tors. eta vs tors. theta energy: -9.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -123.987366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.987366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.987366 (E_RNA)
where:
Base-Base interactions energy: -88.289
where: short stacking energy: -34.076
Base-Backbone interact. energy: -0.002
local terms energy: -35.696096
where:
bonds (distance) C4'-P energy: -8.961
bonds (distance) P-C4' energy: -7.967
flat angles C4'-P-C4' energy: -6.727
flat angles P-C4'-P energy: -5.014
tors. eta vs tors. theta energy: -7.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -131.385640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.385640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.385640 (E_RNA)
where:
Base-Base interactions energy: -89.353
where: short stacking energy: -41.511
Base-Backbone interact. energy: -0.571
local terms energy: -41.460816
where:
bonds (distance) C4'-P energy: -8.542
bonds (distance) P-C4' energy: -8.058
flat angles C4'-P-C4' energy: -7.384
flat angles P-C4'-P energy: -7.758
tors. eta vs tors. theta energy: -9.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -127.585237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.585237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.585237 (E_RNA)
where:
Base-Base interactions energy: -89.109
where: short stacking energy: -38.134
Base-Backbone interact. energy: -1.300
local terms energy: -37.176286
where:
bonds (distance) C4'-P energy: -5.547
bonds (distance) P-C4' energy: -10.000
flat angles C4'-P-C4' energy: -7.413
flat angles P-C4'-P energy: -5.739
tors. eta vs tors. theta energy: -8.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -131.800269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.800269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.800269 (E_RNA)
where:
Base-Base interactions energy: -93.361
where: short stacking energy: -44.494
Base-Backbone interact. energy: -0.002
local terms energy: -38.437547
where:
bonds (distance) C4'-P energy: -5.266
bonds (distance) P-C4' energy: -10.684
flat angles C4'-P-C4' energy: -7.554
flat angles P-C4'-P energy: -6.022
tors. eta vs tors. theta energy: -8.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -67.953835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.953835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.953835 (E_RNA)
where:
Base-Base interactions energy: -39.429
where: short stacking energy: -20.475
Base-Backbone interact. energy: -0.313
local terms energy: -28.212638
where:
bonds (distance) C4'-P energy: -7.976
bonds (distance) P-C4' energy: -9.037
flat angles C4'-P-C4' energy: -6.216
flat angles P-C4'-P energy: -5.588
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: 2
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -51.366683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.366683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.366683 (E_RNA)
where:
Base-Base interactions energy: -18.436
where: short stacking energy: -15.539
Base-Backbone interact. energy: -0.000
local terms energy: -32.930445
where:
bonds (distance) C4'-P energy: -6.662
bonds (distance) P-C4' energy: -7.910
flat angles C4'-P-C4' energy: -8.148
flat angles P-C4'-P energy: -5.401
tors. eta vs tors. theta energy: -4.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -144.212767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.212767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.212767 (E_RNA)
where:
Base-Base interactions energy: -97.745
where: short stacking energy: -44.564
Base-Backbone interact. energy: -0.627
local terms energy: -45.839993
where:
bonds (distance) C4'-P energy: -9.469
bonds (distance) P-C4' energy: -10.302
flat angles C4'-P-C4' energy: -8.311
flat angles P-C4'-P energy: -8.583
tors. eta vs tors. theta energy: -9.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -138.415867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.415867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.415867 (E_RNA)
where:
Base-Base interactions energy: -94.478
where: short stacking energy: -45.639
Base-Backbone interact. energy: -0.003
local terms energy: -43.934866
where:
bonds (distance) C4'-P energy: -6.554
bonds (distance) P-C4' energy: -9.348
flat angles C4'-P-C4' energy: -9.667
flat angles P-C4'-P energy: -7.893
tors. eta vs tors. theta energy: -10.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -137.884200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.884200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.884200 (E_RNA)
where:
Base-Base interactions energy: -93.984
where: short stacking energy: -39.421
Base-Backbone interact. energy: -0.911
local terms energy: -42.988701
where:
bonds (distance) C4'-P energy: -8.285
bonds (distance) P-C4' energy: -11.124
flat angles C4'-P-C4' energy: -8.146
flat angles P-C4'-P energy: -7.057
tors. eta vs tors. theta energy: -8.377
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: 339
Temperature: 1.050000
Total energy: -134.292367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.292367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.292367 (E_RNA)
where:
Base-Base interactions energy: -90.621
where: short stacking energy: -41.498
Base-Backbone interact. energy: -0.385
local terms energy: -43.286577
where:
bonds (distance) C4'-P energy: -8.028
bonds (distance) P-C4' energy: -9.799
flat angles C4'-P-C4' energy: -9.331
flat angles P-C4'-P energy: -7.308
tors. eta vs tors. theta energy: -8.821
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: 5, replica: 8
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -141.732685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.732685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.732685 (E_RNA)
where:
Base-Base interactions energy: -105.237
where: short stacking energy: -45.338
Base-Backbone interact. energy: -0.012
local terms energy: -36.484211
where:
bonds (distance) C4'-P energy: -7.905
bonds (distance) P-C4' energy: -8.318
flat angles C4'-P-C4' energy: -8.177
flat angles P-C4'-P energy: -3.040
tors. eta vs tors. theta energy: -9.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -128.073697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.073697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.073697 (E_RNA)
where:
Base-Base interactions energy: -88.562
where: short stacking energy: -41.484
Base-Backbone interact. energy: -0.282
local terms energy: -39.230386
where:
bonds (distance) C4'-P energy: -6.430
bonds (distance) P-C4' energy: -9.528
flat angles C4'-P-C4' energy: -7.316
flat angles P-C4'-P energy: -5.597
tors. eta vs tors. theta energy: -10.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -128.247422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.247422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.247422 (E_RNA)
where:
Base-Base interactions energy: -91.852
where: short stacking energy: -38.058
Base-Backbone interact. energy: -0.375
local terms energy: -36.019981
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -9.824
flat angles C4'-P-C4' energy: -9.737
flat angles P-C4'-P energy: -4.558
tors. eta vs tors. theta energy: -7.499
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: 7
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -127.660099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.660099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.660099 (E_RNA)
where:
Base-Base interactions energy: -85.836
where: short stacking energy: -38.219
Base-Backbone interact. energy: -1.001
local terms energy: -40.823317
where:
bonds (distance) C4'-P energy: -7.547
bonds (distance) P-C4' energy: -6.641
flat angles C4'-P-C4' energy: -9.397
flat angles P-C4'-P energy: -9.030
tors. eta vs tors. theta energy: -8.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -65.975443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.975443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.975443 (E_RNA)
where:
Base-Base interactions energy: -31.108
where: short stacking energy: -31.108
Base-Backbone interact. energy: -0.004
local terms energy: -34.864204
where:
bonds (distance) C4'-P energy: -10.649
bonds (distance) P-C4' energy: -9.517
flat angles C4'-P-C4' energy: -7.214
flat angles P-C4'-P energy: -3.185
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: 10, replica: 2
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -59.995036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.995036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.995036 (E_RNA)
where:
Base-Base interactions energy: -26.661
where: short stacking energy: -26.661
Base-Backbone interact. energy: -0.094
local terms energy: -33.239757
where:
bonds (distance) C4'-P energy: -8.906
bonds (distance) P-C4' energy: -9.954
flat angles C4'-P-C4' energy: -6.726
flat angles P-C4'-P energy: -3.702
tors. eta vs tors. theta energy: -3.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -134.973303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.973303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.973303 (E_RNA)
where:
Base-Base interactions energy: -90.992
where: short stacking energy: -46.565
Base-Backbone interact. energy: -0.008
local terms energy: -43.973279
where:
bonds (distance) C4'-P energy: -9.308
bonds (distance) P-C4' energy: -9.140
flat angles C4'-P-C4' energy: -10.104
flat angles P-C4'-P energy: -6.746
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: 2, replica: 1
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -138.796871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.796871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.796871 (E_RNA)
where:
Base-Base interactions energy: -97.525
where: short stacking energy: -45.449
Base-Backbone interact. energy: -0.987
local terms energy: -40.284995
where:
bonds (distance) C4'-P energy: -8.981
bonds (distance) P-C4' energy: -10.155
flat angles C4'-P-C4' energy: -8.438
flat angles P-C4'-P energy: -5.068
tors. eta vs tors. theta energy: -7.643
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: 3, replica: 5
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -139.233761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.233761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.233761 (E_RNA)
where:
Base-Base interactions energy: -94.397
where: short stacking energy: -45.273
Base-Backbone interact. energy: -0.862
local terms energy: -43.974490
where:
bonds (distance) C4'-P energy: -9.547
bonds (distance) P-C4' energy: -8.572
flat angles C4'-P-C4' energy: -7.986
flat angles P-C4'-P energy: -7.933
tors. eta vs tors. theta energy: -9.936
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: 9
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -139.122319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.122319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.122319 (E_RNA)
where:
Base-Base interactions energy: -96.899
where: short stacking energy: -47.456
Base-Backbone interact. energy: -0.143
local terms energy: -42.079924
where:
bonds (distance) C4'-P energy: -4.468
bonds (distance) P-C4' energy: -10.670
flat angles C4'-P-C4' energy: -9.293
flat angles P-C4'-P energy: -7.011
tors. eta vs tors. theta energy: -10.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -127.590831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.590831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.590831 (E_RNA)
where:
Base-Base interactions energy: -88.873
where: short stacking energy: -41.401
Base-Backbone interact. energy: -0.007
local terms energy: -38.710280
where:
bonds (distance) C4'-P energy: -9.883
bonds (distance) P-C4' energy: -7.210
flat angles C4'-P-C4' energy: -9.664
flat angles P-C4'-P energy: -3.722
tors. eta vs tors. theta energy: -8.231
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: 8
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -132.404711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.404711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.404711 (E_RNA)
where:
Base-Base interactions energy: -90.654
where: short stacking energy: -43.241
Base-Backbone interact. energy: -0.008
local terms energy: -41.742367
where:
bonds (distance) C4'-P energy: -8.144
bonds (distance) P-C4' energy: -10.873
flat angles C4'-P-C4' energy: -7.540
flat angles P-C4'-P energy: -5.946
tors. eta vs tors. theta energy: -9.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -126.346009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.346009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.346009 (E_RNA)
where:
Base-Base interactions energy: -81.833
where: short stacking energy: -36.660
Base-Backbone interact. energy: -0.610
local terms energy: -43.902895
where:
bonds (distance) C4'-P energy: -9.709
bonds (distance) P-C4' energy: -9.855
flat angles C4'-P-C4' energy: -9.622
flat angles P-C4'-P energy: -4.140
tors. eta vs tors. theta energy: -10.577
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: 7
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -130.355083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.355083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.355083 (E_RNA)
where:
Base-Base interactions energy: -86.309
where: short stacking energy: -42.531
Base-Backbone interact. energy: -0.127
local terms energy: -43.919708
where:
bonds (distance) C4'-P energy: -9.531
bonds (distance) P-C4' energy: -9.950
flat angles C4'-P-C4' energy: -8.197
flat angles P-C4'-P energy: -6.071
tors. eta vs tors. theta energy: -10.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -56.701480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.701480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.701480 (E_RNA)
where:
Base-Base interactions energy: -26.954
where: short stacking energy: -26.954
Base-Backbone interact. energy: -0.111
local terms energy: -29.636544
where:
bonds (distance) C4'-P energy: -7.925
bonds (distance) P-C4' energy: -7.710
flat angles C4'-P-C4' energy: -4.482
flat angles P-C4'-P energy: -5.520
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: 2
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -57.401934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.401934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.401934 (E_RNA)
where:
Base-Base interactions energy: -23.252
where: short stacking energy: -23.252
Base-Backbone interact. energy: -0.044
local terms energy: -34.105566
where:
bonds (distance) C4'-P energy: -9.531
bonds (distance) P-C4' energy: -9.245
flat angles C4'-P-C4' energy: -7.535
flat angles P-C4'-P energy: -4.825
tors. eta vs tors. theta energy: -2.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -137.642199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.642199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.642199 (E_RNA)
where:
Base-Base interactions energy: -94.088
where: short stacking energy: -46.768
Base-Backbone interact. energy: -0.008
local terms energy: -43.546158
where:
bonds (distance) C4'-P energy: -8.517
bonds (distance) P-C4' energy: -10.175
flat angles C4'-P-C4' energy: -7.175
flat angles P-C4'-P energy: -7.482
tors. eta vs tors. theta energy: -10.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -141.996475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.996475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.996475 (E_RNA)
where:
Base-Base interactions energy: -97.364
where: short stacking energy: -46.140
Base-Backbone interact. energy: -0.806
local terms energy: -43.826598
where:
bonds (distance) C4'-P energy: -8.857
bonds (distance) P-C4' energy: -6.387
flat angles C4'-P-C4' energy: -10.145
flat angles P-C4'-P energy: -8.362
tors. eta vs tors. theta energy: -10.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -140.245362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.245362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.245362 (E_RNA)
where:
Base-Base interactions energy: -98.109
where: short stacking energy: -45.396
Base-Backbone interact. energy: -1.258
local terms energy: -40.878800
where:
bonds (distance) C4'-P energy: -8.687
bonds (distance) P-C4' energy: -7.442
flat angles C4'-P-C4' energy: -9.508
flat angles P-C4'-P energy: -6.302
tors. eta vs tors. theta energy: -8.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -133.191043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.191043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.191043 (E_RNA)
where:
Base-Base interactions energy: -93.276
where: short stacking energy: -43.443
Base-Backbone interact. energy: -0.012
local terms energy: -39.902651
where:
bonds (distance) C4'-P energy: -7.929
bonds (distance) P-C4' energy: -8.816
flat angles C4'-P-C4' energy: -10.406
flat angles P-C4'-P energy: -4.867
tors. eta vs tors. theta energy: -7.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -133.802185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.802185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.802185 (E_RNA)
where:
Base-Base interactions energy: -88.652
where: short stacking energy: -42.623
Base-Backbone interact. energy: 0.106
local terms energy: -45.256451
where:
bonds (distance) C4'-P energy: -8.873
bonds (distance) P-C4' energy: -10.426
flat angles C4'-P-C4' energy: -10.680
flat angles P-C4'-P energy: -5.069
tors. eta vs tors. theta energy: -10.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -132.708262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.708262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.708262 (E_RNA)
where:
Base-Base interactions energy: -89.868
where: short stacking energy: -38.852
Base-Backbone interact. energy: -0.872
local terms energy: -41.968422
where:
bonds (distance) C4'-P energy: -7.408
bonds (distance) P-C4' energy: -8.426
flat angles C4'-P-C4' energy: -10.153
flat angles P-C4'-P energy: -7.106
tors. eta vs tors. theta energy: -8.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -132.991943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.991943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.991943 (E_RNA)
where:
Base-Base interactions energy: -96.386
where: short stacking energy: -39.675
Base-Backbone interact. energy: -0.000
local terms energy: -36.606272
where:
bonds (distance) C4'-P energy: -8.890
bonds (distance) P-C4' energy: -8.401
flat angles C4'-P-C4' energy: -7.783
flat angles P-C4'-P energy: -2.431
tors. eta vs tors. theta energy: -9.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -130.424839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.424839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.424839 (E_RNA)
where:
Base-Base interactions energy: -95.766
where: short stacking energy: -45.301
Base-Backbone interact. energy: -0.037
local terms energy: -34.622054
where:
bonds (distance) C4'-P energy: -9.130
bonds (distance) P-C4' energy: -5.928
flat angles C4'-P-C4' energy: -8.226
flat angles P-C4'-P energy: -2.828
tors. eta vs tors. theta energy: -8.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -62.221226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.221226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.221226 (E_RNA)
where:
Base-Base interactions energy: -33.090
where: short stacking energy: -18.002
Base-Backbone interact. energy: -0.136
local terms energy: -28.994693
where:
bonds (distance) C4'-P energy: -9.415
bonds (distance) P-C4' energy: -8.836
flat angles C4'-P-C4' energy: -8.711
flat angles P-C4'-P energy: -2.262
tors. eta vs tors. theta energy: 0.229
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: 2
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -64.643682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.643682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.643682 (E_RNA)
where:
Base-Base interactions energy: -30.279
where: short stacking energy: -30.279
Base-Backbone interact. energy: -0.010
local terms energy: -34.353987
where:
bonds (distance) C4'-P energy: -6.402
bonds (distance) P-C4' energy: -8.101
flat angles C4'-P-C4' energy: -9.974
flat angles P-C4'-P energy: -4.756
tors. eta vs tors. theta energy: -5.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -142.845629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.845629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.845629 (E_RNA)
where:
Base-Base interactions energy: -94.932
where: short stacking energy: -43.454
Base-Backbone interact. energy: -1.568
local terms energy: -46.345472
where:
bonds (distance) C4'-P energy: -8.331
bonds (distance) P-C4' energy: -11.106
flat angles C4'-P-C4' energy: -8.085
flat angles P-C4'-P energy: -7.562
tors. eta vs tors. theta energy: -11.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -142.003044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.003044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.003044 (E_RNA)
where:
Base-Base interactions energy: -92.245
where: short stacking energy: -43.295
Base-Backbone interact. energy: -2.054
local terms energy: -47.704880
where:
bonds (distance) C4'-P energy: -8.824
bonds (distance) P-C4' energy: -10.394
flat angles C4'-P-C4' energy: -10.410
flat angles P-C4'-P energy: -7.694
tors. eta vs tors. theta energy: -10.382
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: 3, replica: 3
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -138.566466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.566466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.566466 (E_RNA)
where:
Base-Base interactions energy: -96.106
where: short stacking energy: -43.790
Base-Backbone interact. energy: -0.509
local terms energy: -41.951437
where:
bonds (distance) C4'-P energy: -8.948
bonds (distance) P-C4' energy: -11.092
flat angles C4'-P-C4' energy: -7.345
flat angles P-C4'-P energy: -6.533
tors. eta vs tors. theta energy: -8.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -134.448130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.448130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.448130 (E_RNA)
where:
Base-Base interactions energy: -90.246
where: short stacking energy: -40.782
Base-Backbone interact. energy: -0.316
local terms energy: -43.886830
where:
bonds (distance) C4'-P energy: -9.619
bonds (distance) P-C4' energy: -9.774
flat angles C4'-P-C4' energy: -9.755
flat angles P-C4'-P energy: -5.824
tors. eta vs tors. theta energy: -8.915
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: 5, replica: 8
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -140.012978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.012978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.012978 (E_RNA)
where:
Base-Base interactions energy: -98.420
where: short stacking energy: -46.344
Base-Backbone interact. energy: -0.001
local terms energy: -41.592018
where:
bonds (distance) C4'-P energy: -7.380
bonds (distance) P-C4' energy: -7.799
flat angles C4'-P-C4' energy: -8.923
flat angles P-C4'-P energy: -8.920
tors. eta vs tors. theta energy: -8.570
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: 342
Temperature: 1.150000
Total energy: -124.990998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.990998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.990998 (E_RNA)
where:
Base-Base interactions energy: -84.923
where: short stacking energy: -38.474
Base-Backbone interact. energy: -0.080
local terms energy: -39.988166
where:
bonds (distance) C4'-P energy: -4.331
bonds (distance) P-C4' energy: -10.042
flat angles C4'-P-C4' energy: -9.100
flat angles P-C4'-P energy: -6.610
tors. eta vs tors. theta energy: -9.904
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: 7
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -127.420628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.420628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.420628 (E_RNA)
where:
Base-Base interactions energy: -88.804
where: short stacking energy: -40.790
Base-Backbone interact. energy: -0.001
local terms energy: -38.615278
where:
bonds (distance) C4'-P energy: -8.425
bonds (distance) P-C4' energy: -9.563
flat angles C4'-P-C4' energy: -5.601
flat angles P-C4'-P energy: -4.137
tors. eta vs tors. theta energy: -10.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -132.407869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.407869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.407869 (E_RNA)
where:
Base-Base interactions energy: -89.347
where: short stacking energy: -37.977
Base-Backbone interact. energy: -0.839
local terms energy: -42.221756
where:
bonds (distance) C4'-P energy: -7.333
bonds (distance) P-C4' energy: -7.489
flat angles C4'-P-C4' energy: -10.088
flat angles P-C4'-P energy: -7.552
tors. eta vs tors. theta energy: -9.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -61.676194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.676194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.676194 (E_RNA)
where:
Base-Base interactions energy: -26.516
where: short stacking energy: -18.916
Base-Backbone interact. energy: -1.013
local terms energy: -34.147401
where:
bonds (distance) C4'-P energy: -5.748
bonds (distance) P-C4' energy: -9.224
flat angles C4'-P-C4' energy: -6.107
flat angles P-C4'-P energy: -6.073
tors. eta vs tors. theta energy: -6.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -66.783104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.783104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.783104 (E_RNA)
where:
Base-Base interactions energy: -40.288
where: short stacking energy: -32.589
Base-Backbone interact. energy: -0.230
local terms energy: -26.264913
where:
bonds (distance) C4'-P energy: -7.647
bonds (distance) P-C4' energy: -5.230
flat angles C4'-P-C4' energy: -4.990
flat angles P-C4'-P energy: -3.370
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: 5
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -144.989890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.989890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.989890 (E_RNA)
where:
Base-Base interactions energy: -99.376
where: short stacking energy: -47.305
Base-Backbone interact. energy: -1.384
local terms energy: -44.229393
where:
bonds (distance) C4'-P energy: -9.929
bonds (distance) P-C4' energy: -8.886
flat angles C4'-P-C4' energy: -8.628
flat angles P-C4'-P energy: -6.757
tors. eta vs tors. theta energy: -10.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -141.300727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.300727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.300727 (E_RNA)
where:
Base-Base interactions energy: -95.791
where: short stacking energy: -43.263
Base-Backbone interact. energy: -0.250
local terms energy: -45.260114
where:
bonds (distance) C4'-P energy: -7.346
bonds (distance) P-C4' energy: -9.833
flat angles C4'-P-C4' energy: -9.657
flat angles P-C4'-P energy: -7.299
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: 3, replica: 4
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -139.310274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.310274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.310274 (E_RNA)
where:
Base-Base interactions energy: -91.826
where: short stacking energy: -44.566
Base-Backbone interact. energy: -0.513
local terms energy: -46.971714
where:
bonds (distance) C4'-P energy: -6.468
bonds (distance) P-C4' energy: -10.609
flat angles C4'-P-C4' energy: -10.116
flat angles P-C4'-P energy: -8.035
tors. eta vs tors. theta energy: -11.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -137.267493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.267493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.267493 (E_RNA)
where:
Base-Base interactions energy: -92.509
where: short stacking energy: -42.111
Base-Backbone interact. energy: -1.775
local terms energy: -42.983141
where:
bonds (distance) C4'-P energy: -7.192
bonds (distance) P-C4' energy: -9.711
flat angles C4'-P-C4' energy: -7.962
flat angles P-C4'-P energy: -7.926
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: 5, replica: 1
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -135.190763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.190763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.190763 (E_RNA)
where:
Base-Base interactions energy: -95.991
where: short stacking energy: -46.086
Base-Backbone interact. energy: -1.535
local terms energy: -37.664664
where:
bonds (distance) C4'-P energy: -7.201
bonds (distance) P-C4' energy: -7.784
flat angles C4'-P-C4' energy: -9.494
flat angles P-C4'-P energy: -5.922
tors. eta vs tors. theta energy: -7.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -131.075782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.075782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.075782 (E_RNA)
where:
Base-Base interactions energy: -96.425
where: short stacking energy: -34.313
Base-Backbone interact. energy: -0.035
local terms energy: -34.616203
where:
bonds (distance) C4'-P energy: -7.983
bonds (distance) P-C4' energy: -8.355
flat angles C4'-P-C4' energy: -8.855
flat angles P-C4'-P energy: -1.536
tors. eta vs tors. theta energy: -7.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -131.102716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.102716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.102716 (E_RNA)
where:
Base-Base interactions energy: -89.881
where: short stacking energy: -39.244
Base-Backbone interact. energy: 0.747
local terms energy: -41.968774
where:
bonds (distance) C4'-P energy: -10.748
bonds (distance) P-C4' energy: -6.960
flat angles C4'-P-C4' energy: -7.331
flat angles P-C4'-P energy: -7.916
tors. eta vs tors. theta energy: -9.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -65.589105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.589105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.589105 (E_RNA)
where:
Base-Base interactions energy: -36.773
where: short stacking energy: -36.773
Base-Backbone interact. energy: -0.096
local terms energy: -28.720176
where:
bonds (distance) C4'-P energy: -9.813
bonds (distance) P-C4' energy: -1.384
flat angles C4'-P-C4' energy: -4.754
flat angles P-C4'-P energy: -4.646
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: 9, replica: 10
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -120.245647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.245647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.245647 (E_RNA)
where:
Base-Base interactions energy: -85.548
where: short stacking energy: -35.347
Base-Backbone interact. energy: -0.008
local terms energy: -34.690442
where:
bonds (distance) C4'-P energy: -6.741
bonds (distance) P-C4' energy: -8.123
flat angles C4'-P-C4' energy: -9.199
flat angles P-C4'-P energy: -1.030
tors. eta vs tors. theta energy: -9.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -60.627385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.627385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.627385 (E_RNA)
where:
Base-Base interactions energy: -27.146
where: short stacking energy: -27.146
Base-Backbone interact. energy: -0.021
local terms energy: -33.459716
where:
bonds (distance) C4'-P energy: -10.231
bonds (distance) P-C4' energy: -8.622
flat angles C4'-P-C4' energy: -9.117
flat angles P-C4'-P energy: -2.317
tors. eta vs tors. theta energy: -3.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -140.230781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.230781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.230781 (E_RNA)
where:
Base-Base interactions energy: -91.000
where: short stacking energy: -42.784
Base-Backbone interact. energy: -1.446
local terms energy: -47.784986
where:
bonds (distance) C4'-P energy: -9.787
bonds (distance) P-C4' energy: -10.451
flat angles C4'-P-C4' energy: -10.145
flat angles P-C4'-P energy: -7.543
tors. eta vs tors. theta energy: -9.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -140.656515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.656515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.656515 (E_RNA)
where:
Base-Base interactions energy: -94.368
where: short stacking energy: -44.997
Base-Backbone interact. energy: -0.625
local terms energy: -45.663895
where:
bonds (distance) C4'-P energy: -8.625
bonds (distance) P-C4' energy: -10.444
flat angles C4'-P-C4' energy: -8.463
flat angles P-C4'-P energy: -7.533
tors. eta vs tors. theta energy: -10.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -143.693993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.693993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.693993 (E_RNA)
where:
Base-Base interactions energy: -94.582
where: short stacking energy: -44.212
Base-Backbone interact. energy: -2.005
local terms energy: -47.106709
where:
bonds (distance) C4'-P energy: -10.045
bonds (distance) P-C4' energy: -10.186
flat angles C4'-P-C4' energy: -7.266
flat angles P-C4'-P energy: -8.801
tors. eta vs tors. theta energy: -10.809
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: 4, replica: 8
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -137.305218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.305218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.305218 (E_RNA)
where:
Base-Base interactions energy: -93.394
where: short stacking energy: -41.439
Base-Backbone interact. energy: -0.025
local terms energy: -43.885536
where:
bonds (distance) C4'-P energy: -10.446
bonds (distance) P-C4' energy: -8.647
flat angles C4'-P-C4' energy: -9.035
flat angles P-C4'-P energy: -6.943
tors. eta vs tors. theta energy: -8.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -133.785886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.785886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.785886 (E_RNA)
where:
Base-Base interactions energy: -92.272
where: short stacking energy: -43.417
Base-Backbone interact. energy: -0.026
local terms energy: -41.487937
where:
bonds (distance) C4'-P energy: -8.640
bonds (distance) P-C4' energy: -9.333
flat angles C4'-P-C4' energy: -7.598
flat angles P-C4'-P energy: -5.740
tors. eta vs tors. theta energy: -10.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -132.499385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.499385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.499385 (E_RNA)
where:
Base-Base interactions energy: -87.259
where: short stacking energy: -40.909
Base-Backbone interact. energy: -0.677
local terms energy: -44.563318
where:
bonds (distance) C4'-P energy: -9.146
bonds (distance) P-C4' energy: -9.401
flat angles C4'-P-C4' energy: -10.007
flat angles P-C4'-P energy: -6.787
tors. eta vs tors. theta energy: -9.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -130.808629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.808629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.808629 (E_RNA)
where:
Base-Base interactions energy: -92.340
where: short stacking energy: -42.603
Base-Backbone interact. energy: -1.311
local terms energy: -37.157533
where:
bonds (distance) C4'-P energy: -5.948
bonds (distance) P-C4' energy: -8.879
flat angles C4'-P-C4' energy: -7.577
flat angles P-C4'-P energy: -5.662
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: 6
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -60.802193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.802193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.802193 (E_RNA)
where:
Base-Base interactions energy: -31.415
where: short stacking energy: -20.041
Base-Backbone interact. energy: -0.010
local terms energy: -29.376494
where:
bonds (distance) C4'-P energy: -8.214
bonds (distance) P-C4' energy: -8.205
flat angles C4'-P-C4' energy: -9.060
flat angles P-C4'-P energy: -0.709
tors. eta vs tors. theta energy: -3.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -129.088621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.088621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.088621 (E_RNA)
where:
Base-Base interactions energy: -86.497
where: short stacking energy: -35.941
Base-Backbone interact. energy: -0.499
local terms energy: -42.092804
where:
bonds (distance) C4'-P energy: -7.966
bonds (distance) P-C4' energy: -9.345
flat angles C4'-P-C4' energy: -6.929
flat angles P-C4'-P energy: -5.921
tors. eta vs tors. theta energy: -11.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -66.928818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.928818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.928818 (E_RNA)
where:
Base-Base interactions energy: -34.406
where: short stacking energy: -23.086
Base-Backbone interact. energy: -0.007
local terms energy: -32.515224
where:
bonds (distance) C4'-P energy: -5.297
bonds (distance) P-C4' energy: -11.106
flat angles C4'-P-C4' energy: -6.930
flat angles P-C4'-P energy: -4.718
tors. eta vs tors. theta energy: -4.464
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: 1, replica: 3
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -138.896038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.896038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.896038 (E_RNA)
where:
Base-Base interactions energy: -93.899
where: short stacking energy: -42.913
Base-Backbone interact. energy: -0.004
local terms energy: -44.992242
where:
bonds (distance) C4'-P energy: -8.301
bonds (distance) P-C4' energy: -9.834
flat angles C4'-P-C4' energy: -11.059
flat angles P-C4'-P energy: -6.422
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: 2, replica: 4
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -139.204473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.204473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.204473 (E_RNA)
where:
Base-Base interactions energy: -95.021
where: short stacking energy: -44.979
Base-Backbone interact. energy: -0.860
local terms energy: -43.323770
where:
bonds (distance) C4'-P energy: -9.423
bonds (distance) P-C4' energy: -8.861
flat angles C4'-P-C4' energy: -10.405
flat angles P-C4'-P energy: -5.528
tors. eta vs tors. theta energy: -9.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -131.860769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.860769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.860769 (E_RNA)
where:
Base-Base interactions energy: -91.056
where: short stacking energy: -41.433
Base-Backbone interact. energy: -0.584
local terms energy: -40.221475
where:
bonds (distance) C4'-P energy: -5.959
bonds (distance) P-C4' energy: -8.890
flat angles C4'-P-C4' energy: -8.822
flat angles P-C4'-P energy: -7.318
tors. eta vs tors. theta energy: -9.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -137.717948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.717948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.717948 (E_RNA)
where:
Base-Base interactions energy: -92.018
where: short stacking energy: -40.068
Base-Backbone interact. energy: -0.817
local terms energy: -44.883515
where:
bonds (distance) C4'-P energy: -8.881
bonds (distance) P-C4' energy: -8.249
flat angles C4'-P-C4' energy: -10.235
flat angles P-C4'-P energy: -7.660
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: 5, replica: 8
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -136.494946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.494946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.494946 (E_RNA)
where:
Base-Base interactions energy: -94.973
where: short stacking energy: -43.854
Base-Backbone interact. energy: -1.362
local terms energy: -40.160847
where:
bonds (distance) C4'-P energy: -5.280
bonds (distance) P-C4' energy: -9.221
flat angles C4'-P-C4' energy: -8.462
flat angles P-C4'-P energy: -6.131
tors. eta vs tors. theta energy: -11.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -139.221941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.221941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.221941 (E_RNA)
where:
Base-Base interactions energy: -94.375
where: short stacking energy: -44.156
Base-Backbone interact. energy: -1.120
local terms energy: -43.726561
where:
bonds (distance) C4'-P energy: -7.790
bonds (distance) P-C4' energy: -10.451
flat angles C4'-P-C4' energy: -7.502
flat angles P-C4'-P energy: -8.645
tors. eta vs tors. theta energy: -9.339
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: 1
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -136.191509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.191509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.191509 (E_RNA)
where:
Base-Base interactions energy: -93.973
where: short stacking energy: -39.579
Base-Backbone interact. energy: -0.003
local terms energy: -42.215344
where:
bonds (distance) C4'-P energy: -6.785
bonds (distance) P-C4' energy: -10.877
flat angles C4'-P-C4' energy: -10.490
flat angles P-C4'-P energy: -2.453
tors. eta vs tors. theta energy: -11.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -130.671417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.671417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.671417 (E_RNA)
where:
Base-Base interactions energy: -88.652
where: short stacking energy: -42.001
Base-Backbone interact. energy: -0.016
local terms energy: -42.003458
where:
bonds (distance) C4'-P energy: -10.223
bonds (distance) P-C4' energy: -6.476
flat angles C4'-P-C4' energy: -9.046
flat angles P-C4'-P energy: -6.909
tors. eta vs tors. theta energy: -9.350
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: 6
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -55.524706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.524706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.524706 (E_RNA)
where:
Base-Base interactions energy: -26.838
where: short stacking energy: -26.938
Base-Backbone interact. energy: -0.001
local terms energy: -28.685880
where:
bonds (distance) C4'-P energy: -9.164
bonds (distance) P-C4' energy: -6.315
flat angles C4'-P-C4' energy: -4.841
flat angles P-C4'-P energy: -4.422
tors. eta vs tors. theta energy: -3.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -58.834616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.834616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.834616 (E_RNA)
where:
Base-Base interactions energy: -26.151
where: short stacking energy: -22.902
Base-Backbone interact. energy: -0.075
local terms energy: -32.608559
where:
bonds (distance) C4'-P energy: -6.729
bonds (distance) P-C4' energy: -9.563
flat angles C4'-P-C4' energy: -8.263
flat angles P-C4'-P energy: -4.902
tors. eta vs tors. theta energy: -3.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -140.279340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.279340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.279340 (E_RNA)
where:
Base-Base interactions energy: -96.941
where: short stacking energy: -45.394
Base-Backbone interact. energy: -1.301
local terms energy: -42.037320
where:
bonds (distance) C4'-P energy: -6.352
bonds (distance) P-C4' energy: -9.696
flat angles C4'-P-C4' energy: -10.294
flat angles P-C4'-P energy: -6.775
tors. eta vs tors. theta energy: -8.921
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: 346
Temperature: 0.950000
Total energy: -136.311716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.311716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.311716 (E_RNA)
where:
Base-Base interactions energy: -90.345
where: short stacking energy: -42.864
Base-Backbone interact. energy: -1.172
local terms energy: -44.795245
where:
bonds (distance) C4'-P energy: -10.355
bonds (distance) P-C4' energy: -8.801
flat angles C4'-P-C4' energy: -9.970
flat angles P-C4'-P energy: -6.131
tors. eta vs tors. theta energy: -9.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -136.539408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.539408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.539408 (E_RNA)
where:
Base-Base interactions energy: -92.556
where: short stacking energy: -43.613
Base-Backbone interact. energy: 1.509
local terms energy: -45.492686
where:
bonds (distance) C4'-P energy: -9.361
bonds (distance) P-C4' energy: -10.053
flat angles C4'-P-C4' energy: -9.540
flat angles P-C4'-P energy: -6.552
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: 4, replica: 5
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -137.182338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.182338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.182338 (E_RNA)
where:
Base-Base interactions energy: -91.983
where: short stacking energy: -42.485
Base-Backbone interact. energy: -0.020
local terms energy: -45.179321
where:
bonds (distance) C4'-P energy: -9.440
bonds (distance) P-C4' energy: -10.180
flat angles C4'-P-C4' energy: -9.897
flat angles P-C4'-P energy: -4.451
tors. eta vs tors. theta energy: -11.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -136.499619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.499619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.499619 (E_RNA)
where:
Base-Base interactions energy: -92.032
where: short stacking energy: -41.797
Base-Backbone interact. energy: -1.675
local terms energy: -42.793409
where:
bonds (distance) C4'-P energy: -7.709
bonds (distance) P-C4' energy: -7.481
flat angles C4'-P-C4' energy: -9.560
flat angles P-C4'-P energy: -6.613
tors. eta vs tors. theta energy: -11.430
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: 9
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -123.447077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.447077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.447077 (E_RNA)
where:
Base-Base interactions energy: -86.544
where: short stacking energy: -39.085
Base-Backbone interact. energy: -0.524
local terms energy: -36.379573
where:
bonds (distance) C4'-P energy: -9.966
bonds (distance) P-C4' energy: -6.846
flat angles C4'-P-C4' energy: -6.736
flat angles P-C4'-P energy: -6.744
tors. eta vs tors. theta energy: -6.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -130.171079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.171079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.171079 (E_RNA)
where:
Base-Base interactions energy: -92.843
where: short stacking energy: -40.040
Base-Backbone interact. energy: -0.213
local terms energy: -37.115746
where:
bonds (distance) C4'-P energy: -9.134
bonds (distance) P-C4' energy: -8.960
flat angles C4'-P-C4' energy: -5.516
flat angles P-C4'-P energy: -4.288
tors. eta vs tors. theta energy: -9.218
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: 8, replica: 1
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -128.495900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.495900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.495900 (E_RNA)
where:
Base-Base interactions energy: -91.825
where: short stacking energy: -40.392
Base-Backbone interact. energy: -0.135
local terms energy: -36.535973
where:
bonds (distance) C4'-P energy: -6.650
bonds (distance) P-C4' energy: -9.570
flat angles C4'-P-C4' energy: -6.718
flat angles P-C4'-P energy: -4.423
tors. eta vs tors. theta energy: -9.175
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: 9, replica: 2
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -67.531662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.531662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.531662 (E_RNA)
where:
Base-Base interactions energy: -31.549
where: short stacking energy: -23.633
Base-Backbone interact. energy: -0.101
local terms energy: -35.881408
where:
bonds (distance) C4'-P energy: -9.688
bonds (distance) P-C4' energy: -9.732
flat angles C4'-P-C4' energy: -6.738
flat angles P-C4'-P energy: -5.079
tors. eta vs tors. theta energy: -4.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -71.433761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.433761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.433761 (E_RNA)
where:
Base-Base interactions energy: -35.826
where: short stacking energy: -35.826
Base-Backbone interact. energy: -0.003
local terms energy: -35.605520
where:
bonds (distance) C4'-P energy: -7.110
bonds (distance) P-C4' energy: -8.353
flat angles C4'-P-C4' energy: -7.781
flat angles P-C4'-P energy: -4.804
tors. eta vs tors. theta energy: -7.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -144.124149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.124149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.124149 (E_RNA)
where:
Base-Base interactions energy: -95.115
where: short stacking energy: -44.369
Base-Backbone interact. energy: -1.176
local terms energy: -47.833979
where:
bonds (distance) C4'-P energy: -9.795
bonds (distance) P-C4' energy: -10.557
flat angles C4'-P-C4' energy: -9.919
flat angles P-C4'-P energy: -5.478
tors. eta vs tors. theta energy: -12.085
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: 347
Temperature: 0.950000
Total energy: -141.090338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.090338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.090338 (E_RNA)
where:
Base-Base interactions energy: -91.617
where: short stacking energy: -44.519
Base-Backbone interact. energy: -0.620
local terms energy: -48.853075
where:
bonds (distance) C4'-P energy: -9.308
bonds (distance) P-C4' energy: -10.134
flat angles C4'-P-C4' energy: -10.364
flat angles P-C4'-P energy: -8.552
tors. eta vs tors. theta energy: -10.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -140.188678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.188678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.188678 (E_RNA)
where:
Base-Base interactions energy: -97.739
where: short stacking energy: -41.212
Base-Backbone interact. energy: -0.253
local terms energy: -42.196793
where:
bonds (distance) C4'-P energy: -7.507
bonds (distance) P-C4' energy: -8.432
flat angles C4'-P-C4' energy: -10.178
flat angles P-C4'-P energy: -7.333
tors. eta vs tors. theta energy: -8.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -134.911815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.911815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.911815 (E_RNA)
where:
Base-Base interactions energy: -93.686
where: short stacking energy: -44.195
Base-Backbone interact. energy: -0.002
local terms energy: -41.224043
where:
bonds (distance) C4'-P energy: -8.284
bonds (distance) P-C4' energy: -9.932
flat angles C4'-P-C4' energy: -6.379
flat angles P-C4'-P energy: -6.099
tors. eta vs tors. theta energy: -10.529
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: 5
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -133.615774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.615774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.615774 (E_RNA)
where:
Base-Base interactions energy: -92.686
where: short stacking energy: -44.783
Base-Backbone interact. energy: -0.322
local terms energy: -40.608693
where:
bonds (distance) C4'-P energy: -8.186
bonds (distance) P-C4' energy: -9.242
flat angles C4'-P-C4' energy: -8.183
flat angles P-C4'-P energy: -4.439
tors. eta vs tors. theta energy: -10.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -131.195330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.195330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.195330 (E_RNA)
where:
Base-Base interactions energy: -90.646
where: short stacking energy: -39.215
Base-Backbone interact. energy: -0.221
local terms energy: -40.328320
where:
bonds (distance) C4'-P energy: -7.204
bonds (distance) P-C4' energy: -7.027
flat angles C4'-P-C4' energy: -10.892
flat angles P-C4'-P energy: -7.576
tors. eta vs tors. theta energy: -7.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -123.473813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.473813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.473813 (E_RNA)
where:
Base-Base interactions energy: -86.028
where: short stacking energy: -37.891
Base-Backbone interact. energy: -1.180
local terms energy: -36.265605
where:
bonds (distance) C4'-P energy: -5.263
bonds (distance) P-C4' energy: -8.161
flat angles C4'-P-C4' energy: -7.278
flat angles P-C4'-P energy: -8.221
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: 8, replica: 1
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -130.390125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.390125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.390125 (E_RNA)
where:
Base-Base interactions energy: -92.373
where: short stacking energy: -43.599
Base-Backbone interact. energy: -0.426
local terms energy: -37.590519
where:
bonds (distance) C4'-P energy: -4.225
bonds (distance) P-C4' energy: -5.665
flat angles C4'-P-C4' energy: -9.508
flat angles P-C4'-P energy: -8.286
tors. eta vs tors. theta energy: -9.905
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: 2
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -66.832600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.832600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.832600 (E_RNA)
where:
Base-Base interactions energy: -29.014
where: short stacking energy: -29.014
Base-Backbone interact. energy: -0.006
local terms energy: -37.812047
where:
bonds (distance) C4'-P energy: -7.635
bonds (distance) P-C4' energy: -10.137
flat angles C4'-P-C4' energy: -7.901
flat angles P-C4'-P energy: -6.286
tors. eta vs tors. theta energy: -5.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -57.728639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.728639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.728639 (E_RNA)
where:
Base-Base interactions energy: -32.454
where: short stacking energy: -25.063
Base-Backbone interact. energy: -0.092
local terms energy: -25.182817
where:
bonds (distance) C4'-P energy: -6.227
bonds (distance) P-C4' energy: -7.533
flat angles C4'-P-C4' energy: -5.886
flat angles P-C4'-P energy: -3.313
tors. eta vs tors. theta energy: -2.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -141.741466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.741466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.741466 (E_RNA)
where:
Base-Base interactions energy: -97.721
where: short stacking energy: -46.422
Base-Backbone interact. energy: -0.638
local terms energy: -43.382235
where:
bonds (distance) C4'-P energy: -9.200
bonds (distance) P-C4' energy: -9.162
flat angles C4'-P-C4' energy: -9.713
flat angles P-C4'-P energy: -7.300
tors. eta vs tors. theta energy: -8.007
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: 3
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -140.973830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.973830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.973830 (E_RNA)
where:
Base-Base interactions energy: -97.136
where: short stacking energy: -44.129
Base-Backbone interact. energy: -1.741
local terms energy: -42.096170
where:
bonds (distance) C4'-P energy: -6.628
bonds (distance) P-C4' energy: -9.337
flat angles C4'-P-C4' energy: -8.110
flat angles P-C4'-P energy: -8.111
tors. eta vs tors. theta energy: -9.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -140.036442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.036442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.036442 (E_RNA)
where:
Base-Base interactions energy: -95.874
where: short stacking energy: -45.079
Base-Backbone interact. energy: -0.824
local terms energy: -43.338872
where:
bonds (distance) C4'-P energy: -7.631
bonds (distance) P-C4' energy: -9.718
flat angles C4'-P-C4' energy: -9.022
flat angles P-C4'-P energy: -7.953
tors. eta vs tors. theta energy: -9.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -137.199390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.199390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.199390 (E_RNA)
where:
Base-Base interactions energy: -96.582
where: short stacking energy: -40.357
Base-Backbone interact. energy: -0.633
local terms energy: -39.985102
where:
bonds (distance) C4'-P energy: -6.104
bonds (distance) P-C4' energy: -8.229
flat angles C4'-P-C4' energy: -8.815
flat angles P-C4'-P energy: -6.162
tors. eta vs tors. theta energy: -10.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -135.871371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.871371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.871371 (E_RNA)
where:
Base-Base interactions energy: -93.609
where: short stacking energy: -43.238
Base-Backbone interact. energy: -0.001
local terms energy: -42.261782
where:
bonds (distance) C4'-P energy: -9.067
bonds (distance) P-C4' energy: -9.330
flat angles C4'-P-C4' energy: -7.224
flat angles P-C4'-P energy: -5.212
tors. eta vs tors. theta energy: -11.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -131.194688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.194688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.194688 (E_RNA)
where:
Base-Base interactions energy: -88.400
where: short stacking energy: -42.256
Base-Backbone interact. energy: -0.366
local terms energy: -42.429622
where:
bonds (distance) C4'-P energy: -7.672
bonds (distance) P-C4' energy: -9.548
flat angles C4'-P-C4' energy: -10.548
flat angles P-C4'-P energy: -5.016
tors. eta vs tors. theta energy: -9.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -122.032777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.032777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.032777 (E_RNA)
where:
Base-Base interactions energy: -87.872
where: short stacking energy: -38.866
Base-Backbone interact. energy: -0.022
local terms energy: -34.138904
where:
bonds (distance) C4'-P energy: -8.642
bonds (distance) P-C4' energy: -7.981
flat angles C4'-P-C4' energy: -8.797
flat angles P-C4'-P energy: -2.135
tors. eta vs tors. theta energy: -6.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -124.672924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.672924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.672924 (E_RNA)
where:
Base-Base interactions energy: -86.138
where: short stacking energy: -37.087
Base-Backbone interact. energy: -0.050
local terms energy: -38.484788
where:
bonds (distance) C4'-P energy: -9.581
bonds (distance) P-C4' energy: -7.700
flat angles C4'-P-C4' energy: -7.663
flat angles P-C4'-P energy: -6.093
tors. eta vs tors. theta energy: -7.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -60.256153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.256153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.256153 (E_RNA)
where:
Base-Base interactions energy: -32.093
where: short stacking energy: -18.381
Base-Backbone interact. energy: -0.139
local terms energy: -28.023880
where:
bonds (distance) C4'-P energy: -6.607
bonds (distance) P-C4' energy: -4.172
flat angles C4'-P-C4' energy: -8.779
flat angles P-C4'-P energy: -5.208
tors. eta vs tors. theta energy: -3.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -61.720628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.720628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.720628 (E_RNA)
where:
Base-Base interactions energy: -27.949
where: short stacking energy: -23.879
Base-Backbone interact. energy: -0.085
local terms energy: -33.686705
where:
bonds (distance) C4'-P energy: -9.369
bonds (distance) P-C4' energy: -8.369
flat angles C4'-P-C4' energy: -9.258
flat angles P-C4'-P energy: -3.600
tors. eta vs tors. theta energy: -3.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -139.083655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.083655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.083655 (E_RNA)
where:
Base-Base interactions energy: -97.144
where: short stacking energy: -45.546
Base-Backbone interact. energy: -0.982
local terms energy: -40.957500
where:
bonds (distance) C4'-P energy: -5.241
bonds (distance) P-C4' energy: -9.506
flat angles C4'-P-C4' energy: -10.649
flat angles P-C4'-P energy: -5.909
tors. eta vs tors. theta energy: -9.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -139.614103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.614103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.614103 (E_RNA)
where:
Base-Base interactions energy: -97.371
where: short stacking energy: -46.936
Base-Backbone interact. energy: -1.103
local terms energy: -41.139732
where:
bonds (distance) C4'-P energy: -9.378
bonds (distance) P-C4' energy: -6.698
flat angles C4'-P-C4' energy: -8.801
flat angles P-C4'-P energy: -7.647
tors. eta vs tors. theta energy: -8.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -133.381403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.381403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.381403 (E_RNA)
where:
Base-Base interactions energy: -92.012
where: short stacking energy: -40.310
Base-Backbone interact. energy: -0.012
local terms energy: -41.358046
where:
bonds (distance) C4'-P energy: -9.121
bonds (distance) P-C4' energy: -7.895
flat angles C4'-P-C4' energy: -10.058
flat angles P-C4'-P energy: -5.968
tors. eta vs tors. theta energy: -8.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -140.880378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.880378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.880378 (E_RNA)
where:
Base-Base interactions energy: -94.044
where: short stacking energy: -44.562
Base-Backbone interact. energy: -0.003
local terms energy: -46.833774
where:
bonds (distance) C4'-P energy: -8.997
bonds (distance) P-C4' energy: -9.965
flat angles C4'-P-C4' energy: -10.116
flat angles P-C4'-P energy: -8.528
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: 5, replica: 10
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -136.524660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.524660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.524660 (E_RNA)
where:
Base-Base interactions energy: -97.499
where: short stacking energy: -41.844
Base-Backbone interact. energy: -0.038
local terms energy: -38.987385
where:
bonds (distance) C4'-P energy: -9.200
bonds (distance) P-C4' energy: -8.171
flat angles C4'-P-C4' energy: -8.913
flat angles P-C4'-P energy: -4.618
tors. eta vs tors. theta energy: -8.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -136.413030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.413030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.413030 (E_RNA)
where:
Base-Base interactions energy: -92.171
where: short stacking energy: -42.780
Base-Backbone interact. energy: -0.107
local terms energy: -44.135359
where:
bonds (distance) C4'-P energy: -8.446
bonds (distance) P-C4' energy: -10.190
flat angles C4'-P-C4' energy: -8.875
flat angles P-C4'-P energy: -6.591
tors. eta vs tors. theta energy: -10.033
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: 1
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -113.176916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.176916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.176916 (E_RNA)
where:
Base-Base interactions energy: -81.653
where: short stacking energy: -37.992
Base-Backbone interact. energy: -0.050
local terms energy: -31.474313
where:
bonds (distance) C4'-P energy: -8.173
bonds (distance) P-C4' energy: -5.381
flat angles C4'-P-C4' energy: -8.318
flat angles P-C4'-P energy: -2.837
tors. eta vs tors. theta energy: -6.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -123.831074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.831074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.831074 (E_RNA)
where:
Base-Base interactions energy: -89.811
where: short stacking energy: -40.289
Base-Backbone interact. energy: -1.549
local terms energy: -32.471317
where:
bonds (distance) C4'-P energy: -9.875
bonds (distance) P-C4' energy: -2.525
flat angles C4'-P-C4' energy: -7.190
flat angles P-C4'-P energy: -3.188
tors. eta vs tors. theta energy: -9.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -69.892290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.892290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.892290 (E_RNA)
where:
Base-Base interactions energy: -42.171
where: short stacking energy: -19.626
Base-Backbone interact. energy: -0.171
local terms energy: -27.550641
where:
bonds (distance) C4'-P energy: -5.268
bonds (distance) P-C4' energy: -10.444
flat angles C4'-P-C4' energy: -8.587
flat angles P-C4'-P energy: -5.343
tors. eta vs tors. theta energy: 2.091
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: 349
Temperature: 1.350000
Total energy: -74.674699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.674699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.674699 (E_RNA)
where:
Base-Base interactions energy: -39.765
where: short stacking energy: -23.143
Base-Backbone interact. energy: -0.276
local terms energy: -34.633693
where:
bonds (distance) C4'-P energy: -10.107
bonds (distance) P-C4' energy: -6.687
flat angles C4'-P-C4' energy: -9.242
flat angles P-C4'-P energy: -4.019
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: 1, replica: 7
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -140.349540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.349540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.349540 (E_RNA)
where:
Base-Base interactions energy: -95.052
where: short stacking energy: -44.653
Base-Backbone interact. energy: -2.136
local terms energy: -43.161753
where:
bonds (distance) C4'-P energy: -9.727
bonds (distance) P-C4' energy: -9.267
flat angles C4'-P-C4' energy: -7.531
flat angles P-C4'-P energy: -6.840
tors. eta vs tors. theta energy: -9.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -138.886290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.886290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.886290 (E_RNA)
where:
Base-Base interactions energy: -93.145
where: short stacking energy: -43.372
Base-Backbone interact. energy: -0.183
local terms energy: -45.558689
where:
bonds (distance) C4'-P energy: -7.354
bonds (distance) P-C4' energy: -9.711
flat angles C4'-P-C4' energy: -9.091
flat angles P-C4'-P energy: -8.701
tors. eta vs tors. theta energy: -10.701
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: 4
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -136.543671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.543671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.543671 (E_RNA)
where:
Base-Base interactions energy: -94.258
where: short stacking energy: -44.399
Base-Backbone interact. energy: -0.065
local terms energy: -42.220360
where:
bonds (distance) C4'-P energy: -7.548
bonds (distance) P-C4' energy: -8.042
flat angles C4'-P-C4' energy: -9.461
flat angles P-C4'-P energy: -6.383
tors. eta vs tors. theta energy: -10.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -139.155547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.155547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.155547 (E_RNA)
where:
Base-Base interactions energy: -94.773
where: short stacking energy: -43.653
Base-Backbone interact. energy: -0.442
local terms energy: -43.940519
where:
bonds (distance) C4'-P energy: -7.921
bonds (distance) P-C4' energy: -9.389
flat angles C4'-P-C4' energy: -9.152
flat angles P-C4'-P energy: -8.747
tors. eta vs tors. theta energy: -8.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -133.891187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.891187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.891187 (E_RNA)
where:
Base-Base interactions energy: -92.783
where: short stacking energy: -41.515
Base-Backbone interact. energy: -0.646
local terms energy: -40.462188
where:
bonds (distance) C4'-P energy: -6.637
bonds (distance) P-C4' energy: -9.336
flat angles C4'-P-C4' energy: -9.154
flat angles P-C4'-P energy: -5.963
tors. eta vs tors. theta energy: -9.373
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: 6, replica: 10
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -138.269520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.269520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.269520 (E_RNA)
where:
Base-Base interactions energy: -94.319
where: short stacking energy: -43.749
Base-Backbone interact. energy: -0.001
local terms energy: -43.949346
where:
bonds (distance) C4'-P energy: -6.547
bonds (distance) P-C4' energy: -11.332
flat angles C4'-P-C4' energy: -8.877
flat angles P-C4'-P energy: -7.193
tors. eta vs tors. theta energy: -9.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -129.356823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.356823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.356823 (E_RNA)
where:
Base-Base interactions energy: -89.886
where: short stacking energy: -40.002
Base-Backbone interact. energy: -0.948
local terms energy: -38.522914
where:
bonds (distance) C4'-P energy: -8.240
bonds (distance) P-C4' energy: -5.450
flat angles C4'-P-C4' energy: -8.836
flat angles P-C4'-P energy: -7.402
tors. eta vs tors. theta energy: -8.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -126.860765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.860765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.860765 (E_RNA)
where:
Base-Base interactions energy: -87.988
where: short stacking energy: -32.085
Base-Backbone interact. energy: -0.035
local terms energy: -38.837707
where:
bonds (distance) C4'-P energy: -8.724
bonds (distance) P-C4' energy: -7.942
flat angles C4'-P-C4' energy: -7.442
flat angles P-C4'-P energy: -7.914
tors. eta vs tors. theta energy: -6.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -65.023991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.023991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.023991 (E_RNA)
where:
Base-Base interactions energy: -27.462
where: short stacking energy: -27.462
Base-Backbone interact. energy: 0.102
local terms energy: -37.663954
where:
bonds (distance) C4'-P energy: -9.929
bonds (distance) P-C4' energy: -4.864
flat angles C4'-P-C4' energy: -9.835
flat angles P-C4'-P energy: -7.710
tors. eta vs tors. theta energy: -5.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -70.194218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.194218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.194218 (E_RNA)
where:
Base-Base interactions energy: -36.634
where: short stacking energy: -30.535
Base-Backbone interact. energy: -0.057
local terms energy: -33.503634
where:
bonds (distance) C4'-P energy: -9.725
bonds (distance) P-C4' energy: -9.640
flat angles C4'-P-C4' energy: -6.792
flat angles P-C4'-P energy: -1.802
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: 1, replica: 7
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -142.099767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.099767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.099767 (E_RNA)
where:
Base-Base interactions energy: -96.937
where: short stacking energy: -45.293
Base-Backbone interact. energy: -0.548
local terms energy: -44.614734
where:
bonds (distance) C4'-P energy: -9.059
bonds (distance) P-C4' energy: -9.724
flat angles C4'-P-C4' energy: -9.071
flat angles P-C4'-P energy: -7.618
tors. eta vs tors. theta energy: -9.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -139.352910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.352910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.352910 (E_RNA)
where:
Base-Base interactions energy: -95.694
where: short stacking energy: -45.009
Base-Backbone interact. energy: -0.002
local terms energy: -43.656785
where:
bonds (distance) C4'-P energy: -8.873
bonds (distance) P-C4' energy: -10.690
flat angles C4'-P-C4' energy: -8.811
flat angles P-C4'-P energy: -5.590
tors. eta vs tors. theta energy: -9.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -142.808688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.808688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.808688 (E_RNA)
where:
Base-Base interactions energy: -106.353
where: short stacking energy: -41.710
Base-Backbone interact. energy: -0.308
local terms energy: -36.147533
where:
bonds (distance) C4'-P energy: -9.477
bonds (distance) P-C4' energy: -8.206
flat angles C4'-P-C4' energy: -8.977
flat angles P-C4'-P energy: -1.607
tors. eta vs tors. theta energy: -7.881
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: 4, replica: 5
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -138.595143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.595143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.595143 (E_RNA)
where:
Base-Base interactions energy: -97.721
where: short stacking energy: -42.351
Base-Backbone interact. energy: -1.471
local terms energy: -39.403007
where:
bonds (distance) C4'-P energy: -6.057
bonds (distance) P-C4' energy: -8.848
flat angles C4'-P-C4' energy: -5.992
flat angles P-C4'-P energy: -7.860
tors. eta vs tors. theta energy: -10.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -133.646735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.646735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.646735 (E_RNA)
where:
Base-Base interactions energy: -100.193
where: short stacking energy: -35.141
Base-Backbone interact. energy: -0.008
local terms energy: -33.445931
where:
bonds (distance) C4'-P energy: -7.614
bonds (distance) P-C4' energy: -10.873
flat angles C4'-P-C4' energy: -8.775
flat angles P-C4'-P energy: 0.826
tors. eta vs tors. theta energy: -7.009
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: 9
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -132.344103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.344103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.344103 (E_RNA)
where:
Base-Base interactions energy: -90.403
where: short stacking energy: -39.934
Base-Backbone interact. energy: -0.717
local terms energy: -41.224788
where:
bonds (distance) C4'-P energy: -8.074
bonds (distance) P-C4' energy: -10.677
flat angles C4'-P-C4' energy: -7.006
flat angles P-C4'-P energy: -6.717
tors. eta vs tors. theta energy: -8.751
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: 7, replica: 10
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -129.763312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.763312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.763312 (E_RNA)
where:
Base-Base interactions energy: -87.778
where: short stacking energy: -39.127
Base-Backbone interact. energy: 0.099
local terms energy: -42.084286
where:
bonds (distance) C4'-P energy: -8.331
bonds (distance) P-C4' energy: -10.677
flat angles C4'-P-C4' energy: -9.651
flat angles P-C4'-P energy: -7.242
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: 8, replica: 1
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -127.505371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.505371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.505371 (E_RNA)
where:
Base-Base interactions energy: -91.426
where: short stacking energy: -42.891
Base-Backbone interact. energy: 0.788
local terms energy: -36.867463
where:
bonds (distance) C4'-P energy: -7.335
bonds (distance) P-C4' energy: -8.468
flat angles C4'-P-C4' energy: -8.976
flat angles P-C4'-P energy: -2.785
tors. eta vs tors. theta energy: -9.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -63.081898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.081898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.081898 (E_RNA)
where:
Base-Base interactions energy: -37.092
where: short stacking energy: -24.518
Base-Backbone interact. energy: -0.149
local terms energy: -25.841056
where:
bonds (distance) C4'-P energy: -4.505
bonds (distance) P-C4' energy: -8.401
flat angles C4'-P-C4' energy: -8.748
flat angles P-C4'-P energy: -4.319
tors. eta vs tors. theta energy: 0.131
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: 6
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -51.915222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.915222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.915222 (E_RNA)
where:
Base-Base interactions energy: -21.518
where: short stacking energy: -18.974
Base-Backbone interact. energy: -0.003
local terms energy: -30.393467
where:
bonds (distance) C4'-P energy: -9.895
bonds (distance) P-C4' energy: -11.141
flat angles C4'-P-C4' energy: -2.848
flat angles P-C4'-P energy: -3.825
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: 8
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -142.504312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.504312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.504312 (E_RNA)
where:
Base-Base interactions energy: -95.463
where: short stacking energy: -45.163
Base-Backbone interact. energy: -1.378
local terms energy: -45.663312
where:
bonds (distance) C4'-P energy: -8.924
bonds (distance) P-C4' energy: -10.183
flat angles C4'-P-C4' energy: -8.872
flat angles P-C4'-P energy: -8.586
tors. eta vs tors. theta energy: -9.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -141.951573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.951573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.951573 (E_RNA)
where:
Base-Base interactions energy: -101.808
where: short stacking energy: -44.894
Base-Backbone interact. energy: -0.117
local terms energy: -40.026189
where:
bonds (distance) C4'-P energy: -9.734
bonds (distance) P-C4' energy: -8.643
flat angles C4'-P-C4' energy: -7.972
flat angles P-C4'-P energy: -4.184
tors. eta vs tors. theta energy: -9.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -133.432904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.432904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.432904 (E_RNA)
where:
Base-Base interactions energy: -93.353
where: short stacking energy: -44.088
Base-Backbone interact. energy: -0.141
local terms energy: -39.938869
where:
bonds (distance) C4'-P energy: -5.533
bonds (distance) P-C4' energy: -8.830
flat angles C4'-P-C4' energy: -9.458
flat angles P-C4'-P energy: -6.043
tors. eta vs tors. theta energy: -10.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -147.455838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.455838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.455838 (E_RNA)
where:
Base-Base interactions energy: -109.555
where: short stacking energy: -43.883
Base-Backbone interact. energy: -0.200
local terms energy: -37.700768
where:
bonds (distance) C4'-P energy: -9.254
bonds (distance) P-C4' energy: -8.942
flat angles C4'-P-C4' energy: -6.357
flat angles P-C4'-P energy: -2.793
tors. eta vs tors. theta energy: -10.355
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: 5, replica: 3
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -126.854100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.854100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.854100 (E_RNA)
where:
Base-Base interactions energy: -93.196
where: short stacking energy: -34.728
Base-Backbone interact. energy: -0.001
local terms energy: -33.657143
where:
bonds (distance) C4'-P energy: -7.192
bonds (distance) P-C4' energy: -6.119
flat angles C4'-P-C4' energy: -8.085
flat angles P-C4'-P energy: -4.033
tors. eta vs tors. theta energy: -8.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -130.419278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.419278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.419278 (E_RNA)
where:
Base-Base interactions energy: -93.478
where: short stacking energy: -41.255
Base-Backbone interact. energy: -0.193
local terms energy: -36.748782
where:
bonds (distance) C4'-P energy: -7.837
bonds (distance) P-C4' energy: -9.564
flat angles C4'-P-C4' energy: -7.599
flat angles P-C4'-P energy: -5.289
tors. eta vs tors. theta energy: -6.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -129.962687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.962687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.962687 (E_RNA)
where:
Base-Base interactions energy: -87.215
where: short stacking energy: -40.865
Base-Backbone interact. energy: 0.341
local terms energy: -43.089052
where:
bonds (distance) C4'-P energy: -8.330
bonds (distance) P-C4' energy: -10.902
flat angles C4'-P-C4' energy: -6.772
flat angles P-C4'-P energy: -7.518
tors. eta vs tors. theta energy: -9.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -126.320898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.320898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.320898 (E_RNA)
where:
Base-Base interactions energy: -90.123
where: short stacking energy: -44.649
Base-Backbone interact. energy: -0.079
local terms energy: -36.119195
where:
bonds (distance) C4'-P energy: -8.244
bonds (distance) P-C4' energy: -4.416
flat angles C4'-P-C4' energy: -8.675
flat angles P-C4'-P energy: -5.547
tors. eta vs tors. theta energy: -9.236
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: 352
Temperature: 1.300000
Total energy: -60.417892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.417892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.417892 (E_RNA)
where:
Base-Base interactions energy: -25.279
where: short stacking energy: -25.279
Base-Backbone interact. energy: -0.000
local terms energy: -35.138805
where:
bonds (distance) C4'-P energy: -7.338
bonds (distance) P-C4' energy: -9.865
flat angles C4'-P-C4' energy: -8.953
flat angles P-C4'-P energy: -5.638
tors. eta vs tors. theta energy: -3.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -66.485916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.485916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.485916 (E_RNA)
where:
Base-Base interactions energy: -31.221
where: short stacking energy: -24.878
Base-Backbone interact. energy: -0.081
local terms energy: -35.183596
where:
bonds (distance) C4'-P energy: -8.454
bonds (distance) P-C4' energy: -11.131
flat angles C4'-P-C4' energy: -9.456
flat angles P-C4'-P energy: -6.235
tors. eta vs tors. theta energy: 0.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -144.469902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.469902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.469902 (E_RNA)
where:
Base-Base interactions energy: -95.751
where: short stacking energy: -45.696
Base-Backbone interact. energy: -1.220
local terms energy: -47.498914
where:
bonds (distance) C4'-P energy: -10.107
bonds (distance) P-C4' energy: -10.208
flat angles C4'-P-C4' energy: -8.954
flat angles P-C4'-P energy: -7.458
tors. eta vs tors. theta energy: -10.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -140.766230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.766230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.766230 (E_RNA)
where:
Base-Base interactions energy: -100.475
where: short stacking energy: -47.547
Base-Backbone interact. energy: -1.041
local terms energy: -39.250137
where:
bonds (distance) C4'-P energy: -5.768
bonds (distance) P-C4' energy: -11.131
flat angles C4'-P-C4' energy: -8.812
flat angles P-C4'-P energy: -5.444
tors. eta vs tors. theta energy: -8.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -140.616778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.616778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.616778 (E_RNA)
where:
Base-Base interactions energy: -93.426
where: short stacking energy: -41.865
Base-Backbone interact. energy: -1.511
local terms energy: -45.679642
where:
bonds (distance) C4'-P energy: -10.037
bonds (distance) P-C4' energy: -8.791
flat angles C4'-P-C4' energy: -8.677
flat angles P-C4'-P energy: -8.251
tors. eta vs tors. theta energy: -9.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -138.791029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.791029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.791029 (E_RNA)
where:
Base-Base interactions energy: -92.879
where: short stacking energy: -43.787
Base-Backbone interact. energy: -1.534
local terms energy: -44.378795
where:
bonds (distance) C4'-P energy: -9.547
bonds (distance) P-C4' energy: -11.603
flat angles C4'-P-C4' energy: -8.494
flat angles P-C4'-P energy: -4.887
tors. eta vs tors. theta energy: -9.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -134.948053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.948053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.948053 (E_RNA)
where:
Base-Base interactions energy: -101.129
where: short stacking energy: -41.447
Base-Backbone interact. energy: -0.013
local terms energy: -33.806412
where:
bonds (distance) C4'-P energy: -7.160
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -9.696
flat angles P-C4'-P energy: -2.508
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: 6, replica: 1
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -125.953185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.953185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.953185 (E_RNA)
where:
Base-Base interactions energy: -87.620
where: short stacking energy: -38.088
Base-Backbone interact. energy: 1.504
local terms energy: -39.837084
where:
bonds (distance) C4'-P energy: -8.927
bonds (distance) P-C4' energy: -8.364
flat angles C4'-P-C4' energy: -10.139
flat angles P-C4'-P energy: -6.276
tors. eta vs tors. theta energy: -6.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -120.849235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.849235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.849235 (E_RNA)
where:
Base-Base interactions energy: -84.931
where: short stacking energy: -33.893
Base-Backbone interact. energy: -0.004
local terms energy: -35.914445
where:
bonds (distance) C4'-P energy: -7.150
bonds (distance) P-C4' energy: -9.925
flat angles C4'-P-C4' energy: -8.149
flat angles P-C4'-P energy: -5.801
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: 8, replica: 10
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -120.283674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.283674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.283674 (E_RNA)
where:
Base-Base interactions energy: -81.284
where: short stacking energy: -36.361
Base-Backbone interact. energy: -0.001
local terms energy: -38.998558
where:
bonds (distance) C4'-P energy: -7.726
bonds (distance) P-C4' energy: -9.914
flat angles C4'-P-C4' energy: -8.675
flat angles P-C4'-P energy: -1.967
tors. eta vs tors. theta energy: -10.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -55.386198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.386198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.386198 (E_RNA)
where:
Base-Base interactions energy: -22.182
where: short stacking energy: -22.182
Base-Backbone interact. energy: -0.001
local terms energy: -33.203062
where:
bonds (distance) C4'-P energy: -6.857
bonds (distance) P-C4' energy: -7.874
flat angles C4'-P-C4' energy: -8.593
flat angles P-C4'-P energy: -6.423
tors. eta vs tors. theta energy: -3.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -68.526600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.526600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.526600 (E_RNA)
where:
Base-Base interactions energy: -31.417
where: short stacking energy: -31.417
Base-Backbone interact. energy: -0.067
local terms energy: -37.043276
where:
bonds (distance) C4'-P energy: -8.173
bonds (distance) P-C4' energy: -9.330
flat angles C4'-P-C4' energy: -9.044
flat angles P-C4'-P energy: -4.781
tors. eta vs tors. theta energy: -5.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -138.052393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.052393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.052393 (E_RNA)
where:
Base-Base interactions energy: -97.677
where: short stacking energy: -44.731
Base-Backbone interact. energy: -0.810
local terms energy: -39.565622
where:
bonds (distance) C4'-P energy: -6.235
bonds (distance) P-C4' energy: -10.448
flat angles C4'-P-C4' energy: -8.868
flat angles P-C4'-P energy: -5.934
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: 2, replica: 8
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -139.529255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.529255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.529255 (E_RNA)
where:
Base-Base interactions energy: -95.542
where: short stacking energy: -43.059
Base-Backbone interact. energy: -0.305
local terms energy: -43.682651
where:
bonds (distance) C4'-P energy: -10.045
bonds (distance) P-C4' energy: -8.622
flat angles C4'-P-C4' energy: -8.971
flat angles P-C4'-P energy: -7.051
tors. eta vs tors. theta energy: -8.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -141.957019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.957019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.957019 (E_RNA)
where:
Base-Base interactions energy: -96.732
where: short stacking energy: -43.473
Base-Backbone interact. energy: -0.691
local terms energy: -44.534267
where:
bonds (distance) C4'-P energy: -10.338
bonds (distance) P-C4' energy: -8.091
flat angles C4'-P-C4' energy: -8.930
flat angles P-C4'-P energy: -6.804
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: 4, replica: 3
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -134.262321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.262321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.262321 (E_RNA)
where:
Base-Base interactions energy: -94.899
where: short stacking energy: -41.448
Base-Backbone interact. energy: -0.890
local terms energy: -38.472831
where:
bonds (distance) C4'-P energy: -7.396
bonds (distance) P-C4' energy: -8.950
flat angles C4'-P-C4' energy: -8.163
flat angles P-C4'-P energy: -5.336
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: 5, replica: 1
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -135.383311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.383311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.383311 (E_RNA)
where:
Base-Base interactions energy: -95.686
where: short stacking energy: -44.469
Base-Backbone interact. energy: -0.295
local terms energy: -39.402296
where:
bonds (distance) C4'-P energy: -6.712
bonds (distance) P-C4' energy: -8.805
flat angles C4'-P-C4' energy: -8.016
flat angles P-C4'-P energy: -6.801
tors. eta vs tors. theta energy: -9.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -135.507193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.507193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.507193 (E_RNA)
where:
Base-Base interactions energy: -92.374
where: short stacking energy: -44.633
Base-Backbone interact. energy: -0.565
local terms energy: -42.567802
where:
bonds (distance) C4'-P energy: -9.014
bonds (distance) P-C4' energy: -10.917
flat angles C4'-P-C4' energy: -8.245
flat angles P-C4'-P energy: -6.343
tors. eta vs tors. theta energy: -8.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -104.641220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.641220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.641220 (E_RNA)
where:
Base-Base interactions energy: -70.149
where: short stacking energy: -35.795
Base-Backbone interact. energy: -0.133
local terms energy: -34.359318
where:
bonds (distance) C4'-P energy: -6.343
bonds (distance) P-C4' energy: -10.168
flat angles C4'-P-C4' energy: -9.135
flat angles P-C4'-P energy: -1.146
tors. eta vs tors. theta energy: -7.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -124.468530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.468530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.468530 (E_RNA)
where:
Base-Base interactions energy: -89.588
where: short stacking energy: -39.397
Base-Backbone interact. energy: -0.296
local terms energy: -34.583821
where:
bonds (distance) C4'-P energy: -9.875
bonds (distance) P-C4' energy: -2.994
flat angles C4'-P-C4' energy: -8.810
flat angles P-C4'-P energy: -5.513
tors. eta vs tors. theta energy: -7.392
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: 2
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -53.811847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.811847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.811847 (E_RNA)
where:
Base-Base interactions energy: -28.920
where: short stacking energy: -23.343
Base-Backbone interact. energy: -0.006
local terms energy: -24.886276
where:
bonds (distance) C4'-P energy: -7.540
bonds (distance) P-C4' energy: -6.839
flat angles C4'-P-C4' energy: -5.573
flat angles P-C4'-P energy: -1.748
tors. eta vs tors. theta energy: -3.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -62.913625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.913625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.913625 (E_RNA)
where:
Base-Base interactions energy: -28.483
where: short stacking energy: -28.483
Base-Backbone interact. energy: -0.000
local terms energy: -34.429947
where:
bonds (distance) C4'-P energy: -7.656
bonds (distance) P-C4' energy: -8.591
flat angles C4'-P-C4' energy: -5.440
flat angles P-C4'-P energy: -7.701
tors. eta vs tors. theta energy: -5.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -145.316616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.316616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.316616 (E_RNA)
where:
Base-Base interactions energy: -96.720
where: short stacking energy: -45.381
Base-Backbone interact. energy: -0.650
local terms energy: -47.947432
where:
bonds (distance) C4'-P energy: -9.436
bonds (distance) P-C4' energy: -10.895
flat angles C4'-P-C4' energy: -9.043
flat angles P-C4'-P energy: -8.741
tors. eta vs tors. theta energy: -9.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -143.936844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.936844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.936844 (E_RNA)
where:
Base-Base interactions energy: -98.291
where: short stacking energy: -42.595
Base-Backbone interact. energy: -1.022
local terms energy: -44.624447
where:
bonds (distance) C4'-P energy: -8.136
bonds (distance) P-C4' energy: -9.298
flat angles C4'-P-C4' energy: -9.396
flat angles P-C4'-P energy: -7.049
tors. eta vs tors. theta energy: -10.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -138.509939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.509939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.509939 (E_RNA)
where:
Base-Base interactions energy: -94.161
where: short stacking energy: -45.687
Base-Backbone interact. energy: -0.616
local terms energy: -43.733471
where:
bonds (distance) C4'-P energy: -5.834
bonds (distance) P-C4' energy: -8.530
flat angles C4'-P-C4' energy: -9.426
flat angles P-C4'-P energy: -8.077
tors. eta vs tors. theta energy: -11.866
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: 1
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -134.531205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.531205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.531205 (E_RNA)
where:
Base-Base interactions energy: -94.301
where: short stacking energy: -42.782
Base-Backbone interact. energy: -0.726
local terms energy: -39.504031
where:
bonds (distance) C4'-P energy: -6.112
bonds (distance) P-C4' energy: -10.906
flat angles C4'-P-C4' energy: -8.581
flat angles P-C4'-P energy: -5.745
tors. eta vs tors. theta energy: -8.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -130.353674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.353674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.353674 (E_RNA)
where:
Base-Base interactions energy: -96.544
where: short stacking energy: -38.172
Base-Backbone interact. energy: -0.022
local terms energy: -33.787409
where:
bonds (distance) C4'-P energy: -7.560
bonds (distance) P-C4' energy: -9.899
flat angles C4'-P-C4' energy: -5.936
flat angles P-C4'-P energy: -1.620
tors. eta vs tors. theta energy: -8.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -127.358069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.358069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.358069 (E_RNA)
where:
Base-Base interactions energy: -92.604
where: short stacking energy: -40.145
Base-Backbone interact. energy: -0.067
local terms energy: -34.687389
where:
bonds (distance) C4'-P energy: -6.104
bonds (distance) P-C4' energy: -8.304
flat angles C4'-P-C4' energy: -7.798
flat angles P-C4'-P energy: -3.741
tors. eta vs tors. theta energy: -8.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -126.789431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.789431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.789431 (E_RNA)
where:
Base-Base interactions energy: -89.428
where: short stacking energy: -40.638
Base-Backbone interact. energy: -0.045
local terms energy: -37.315856
where:
bonds (distance) C4'-P energy: -6.974
bonds (distance) P-C4' energy: -7.729
flat angles C4'-P-C4' energy: -8.941
flat angles P-C4'-P energy: -5.012
tors. eta vs tors. theta energy: -8.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -121.743456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.743456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.743456 (E_RNA)
where:
Base-Base interactions energy: -86.079
where: short stacking energy: -36.526
Base-Backbone interact. energy: -0.060
local terms energy: -35.604514
where:
bonds (distance) C4'-P energy: -5.295
bonds (distance) P-C4' energy: -7.717
flat angles C4'-P-C4' energy: -10.355
flat angles P-C4'-P energy: -4.452
tors. eta vs tors. theta energy: -7.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -67.967090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.967090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.967090 (E_RNA)
where:
Base-Base interactions energy: -35.500
where: short stacking energy: -22.306
Base-Backbone interact. energy: -0.005
local terms energy: -32.462583
where:
bonds (distance) C4'-P energy: -9.014
bonds (distance) P-C4' energy: -7.681
flat angles C4'-P-C4' energy: -3.501
flat angles P-C4'-P energy: -6.217
tors. eta vs tors. theta energy: -6.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -65.744124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.744124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.744124 (E_RNA)
where:
Base-Base interactions energy: -32.366
where: short stacking energy: -27.613
Base-Backbone interact. energy: 0.203
local terms energy: -33.580779
where:
bonds (distance) C4'-P energy: -6.353
bonds (distance) P-C4' energy: -7.454
flat angles C4'-P-C4' energy: -9.596
flat angles P-C4'-P energy: -6.641
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: 1, replica: 7
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -138.732863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.732863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.732863 (E_RNA)
where:
Base-Base interactions energy: -95.452
where: short stacking energy: -45.126
Base-Backbone interact. energy: -0.750
local terms energy: -42.530871
where:
bonds (distance) C4'-P energy: -9.316
bonds (distance) P-C4' energy: -8.009
flat angles C4'-P-C4' energy: -8.736
flat angles P-C4'-P energy: -7.351
tors. eta vs tors. theta energy: -9.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -142.589494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.589494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.589494 (E_RNA)
where:
Base-Base interactions energy: -96.874
where: short stacking energy: -45.379
Base-Backbone interact. energy: -0.794
local terms energy: -44.921759
where:
bonds (distance) C4'-P energy: -9.705
bonds (distance) P-C4' energy: -8.389
flat angles C4'-P-C4' energy: -9.320
flat angles P-C4'-P energy: -7.950
tors. eta vs tors. theta energy: -9.557
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: 8
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -136.793480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.793480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.793480 (E_RNA)
where:
Base-Base interactions energy: -94.381
where: short stacking energy: -41.171
Base-Backbone interact. energy: -0.422
local terms energy: -41.990298
where:
bonds (distance) C4'-P energy: -7.432
bonds (distance) P-C4' energy: -10.659
flat angles C4'-P-C4' energy: -8.294
flat angles P-C4'-P energy: -5.849
tors. eta vs tors. theta energy: -9.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -136.835924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.835924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.835924 (E_RNA)
where:
Base-Base interactions energy: -92.606
where: short stacking energy: -47.564
Base-Backbone interact. energy: -0.357
local terms energy: -43.873172
where:
bonds (distance) C4'-P energy: -9.432
bonds (distance) P-C4' energy: -9.743
flat angles C4'-P-C4' energy: -8.069
flat angles P-C4'-P energy: -5.883
tors. eta vs tors. theta energy: -10.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -137.410752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.410752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.410752 (E_RNA)
where:
Base-Base interactions energy: -100.264
where: short stacking energy: -38.625
Base-Backbone interact. energy: -0.003
local terms energy: -37.143652
where:
bonds (distance) C4'-P energy: -10.740
bonds (distance) P-C4' energy: -10.444
flat angles C4'-P-C4' energy: -7.001
flat angles P-C4'-P energy: -1.813
tors. eta vs tors. theta energy: -7.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -135.393772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.393772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.393772 (E_RNA)
where:
Base-Base interactions energy: -90.663
where: short stacking energy: -43.591
Base-Backbone interact. energy: -0.114
local terms energy: -44.616774
where:
bonds (distance) C4'-P energy: -9.966
bonds (distance) P-C4' energy: -8.625
flat angles C4'-P-C4' energy: -8.784
flat angles P-C4'-P energy: -6.177
tors. eta vs tors. theta energy: -11.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -127.378383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.378383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.378383 (E_RNA)
where:
Base-Base interactions energy: -88.882
where: short stacking energy: -34.662
Base-Backbone interact. energy: -0.001
local terms energy: -38.495008
where:
bonds (distance) C4'-P energy: -8.347
bonds (distance) P-C4' energy: -8.978
flat angles C4'-P-C4' energy: -6.587
flat angles P-C4'-P energy: -5.787
tors. eta vs tors. theta energy: -8.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -126.061651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.061651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.061651 (E_RNA)
where:
Base-Base interactions energy: -87.141
where: short stacking energy: -39.349
Base-Backbone interact. energy: -0.807
local terms energy: -38.113209
where:
bonds (distance) C4'-P energy: -8.137
bonds (distance) P-C4' energy: -5.735
flat angles C4'-P-C4' energy: -6.985
flat angles P-C4'-P energy: -7.925
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: 9, replica: 6
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -56.969655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.969655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.969655 (E_RNA)
where:
Base-Base interactions energy: -28.483
where: short stacking energy: -25.940
Base-Backbone interact. energy: -0.033
local terms energy: -28.453264
where:
bonds (distance) C4'-P energy: -7.059
bonds (distance) P-C4' energy: -9.310
flat angles C4'-P-C4' energy: -6.597
flat angles P-C4'-P energy: -2.609
tors. eta vs tors. theta energy: -2.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -54.198715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.198715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.198715 (E_RNA)
where:
Base-Base interactions energy: -28.030
where: short stacking energy: -28.030
Base-Backbone interact. energy: -0.000
local terms energy: -26.168719
where:
bonds (distance) C4'-P energy: -2.108
bonds (distance) P-C4' energy: -9.739
flat angles C4'-P-C4' energy: -2.102
flat angles P-C4'-P energy: -5.282
tors. eta vs tors. theta energy: -6.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -141.528764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.528764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.528764 (E_RNA)
where:
Base-Base interactions energy: -93.697
where: short stacking energy: -43.566
Base-Backbone interact. energy: -1.906
local terms energy: -45.925363
where:
bonds (distance) C4'-P energy: -7.602
bonds (distance) P-C4' energy: -10.165
flat angles C4'-P-C4' energy: -9.983
flat angles P-C4'-P energy: -7.471
tors. eta vs tors. theta energy: -10.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -138.367579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.367579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.367579 (E_RNA)
where:
Base-Base interactions energy: -93.761
where: short stacking energy: -43.322
Base-Backbone interact. energy: -0.575
local terms energy: -44.031338
where:
bonds (distance) C4'-P energy: -6.585
bonds (distance) P-C4' energy: -11.078
flat angles C4'-P-C4' energy: -9.713
flat angles P-C4'-P energy: -7.414
tors. eta vs tors. theta energy: -9.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -133.028967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.028967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.028967 (E_RNA)
where:
Base-Base interactions energy: -92.602
where: short stacking energy: -43.129
Base-Backbone interact. energy: -2.576
local terms energy: -37.850939
where:
bonds (distance) C4'-P energy: -6.903
bonds (distance) P-C4' energy: -7.439
flat angles C4'-P-C4' energy: -8.163
flat angles P-C4'-P energy: -5.986
tors. eta vs tors. theta energy: -9.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -136.305658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.305658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.305658 (E_RNA)
where:
Base-Base interactions energy: -91.196
where: short stacking energy: -43.820
Base-Backbone interact. energy: -0.725
local terms energy: -44.384318
where:
bonds (distance) C4'-P energy: -9.771
bonds (distance) P-C4' energy: -8.369
flat angles C4'-P-C4' energy: -7.809
flat angles P-C4'-P energy: -7.358
tors. eta vs tors. theta energy: -11.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -133.191610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.191610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.191610 (E_RNA)
where:
Base-Base interactions energy: -96.097
where: short stacking energy: -36.506
Base-Backbone interact. energy: -0.006
local terms energy: -37.088595
where:
bonds (distance) C4'-P energy: -8.286
bonds (distance) P-C4' energy: -9.298
flat angles C4'-P-C4' energy: -6.568
flat angles P-C4'-P energy: -4.709
tors. eta vs tors. theta energy: -8.227
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: 9
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -130.225977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.225977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.225977 (E_RNA)
where:
Base-Base interactions energy: -92.514
where: short stacking energy: -43.819
Base-Backbone interact. energy: -1.804
local terms energy: -35.907937
where:
bonds (distance) C4'-P energy: -6.894
bonds (distance) P-C4' energy: -9.950
flat angles C4'-P-C4' energy: -5.514
flat angles P-C4'-P energy: -4.570
tors. eta vs tors. theta energy: -8.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -129.359296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.359296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.359296 (E_RNA)
where:
Base-Base interactions energy: -88.243
where: short stacking energy: -40.684
Base-Backbone interact. energy: -0.625
local terms energy: -40.491043
where:
bonds (distance) C4'-P energy: -7.506
bonds (distance) P-C4' energy: -10.349
flat angles C4'-P-C4' energy: -8.726
flat angles P-C4'-P energy: -4.173
tors. eta vs tors. theta energy: -9.737
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: 10
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -130.599605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.599605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.599605 (E_RNA)
where:
Base-Base interactions energy: -87.031
where: short stacking energy: -37.519
Base-Backbone interact. energy: -0.404
local terms energy: -43.164617
where:
bonds (distance) C4'-P energy: -8.426
bonds (distance) P-C4' energy: -8.445
flat angles C4'-P-C4' energy: -9.003
flat angles P-C4'-P energy: -7.971
tors. eta vs tors. theta energy: -9.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -78.890630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.890630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.890630 (E_RNA)
where:
Base-Base interactions energy: -44.977
where: short stacking energy: -40.703
Base-Backbone interact. energy: -0.000
local terms energy: -33.913225
where:
bonds (distance) C4'-P energy: -8.864
bonds (distance) P-C4' energy: -7.476
flat angles C4'-P-C4' energy: -8.025
flat angles P-C4'-P energy: -1.421
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: 10, replica: 2
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -65.219121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.219121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.219121 (E_RNA)
where:
Base-Base interactions energy: -33.803
where: short stacking energy: -33.803
Base-Backbone interact. energy: -0.000
local terms energy: -31.415924
where:
bonds (distance) C4'-P energy: -6.514
bonds (distance) P-C4' energy: -6.470
flat angles C4'-P-C4' energy: -6.932
flat angles P-C4'-P energy: -4.972
tors. eta vs tors. theta energy: -6.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -139.359912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.359912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.359912 (E_RNA)
where:
Base-Base interactions energy: -95.602
where: short stacking energy: -45.032
Base-Backbone interact. energy: -0.002
local terms energy: -43.756398
where:
bonds (distance) C4'-P energy: -8.562
bonds (distance) P-C4' energy: -8.935
flat angles C4'-P-C4' energy: -10.172
flat angles P-C4'-P energy: -5.586
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: 2, replica: 7
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -140.557747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.557747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.557747 (E_RNA)
where:
Base-Base interactions energy: -96.133
where: short stacking energy: -45.478
Base-Backbone interact. energy: -0.002
local terms energy: -44.422212
where:
bonds (distance) C4'-P energy: -7.842
bonds (distance) P-C4' energy: -11.096
flat angles C4'-P-C4' energy: -9.212
flat angles P-C4'-P energy: -7.944
tors. eta vs tors. theta energy: -8.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -137.725510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.725510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.725510 (E_RNA)
where:
Base-Base interactions energy: -95.744
where: short stacking energy: -44.471
Base-Backbone interact. energy: -0.099
local terms energy: -41.882561
where:
bonds (distance) C4'-P energy: -8.686
bonds (distance) P-C4' energy: -9.957
flat angles C4'-P-C4' energy: -8.877
flat angles P-C4'-P energy: -4.981
tors. eta vs tors. theta energy: -9.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -133.400561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.400561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.400561 (E_RNA)
where:
Base-Base interactions energy: -90.999
where: short stacking energy: -45.598
Base-Backbone interact. energy: -0.423
local terms energy: -41.978719
where:
bonds (distance) C4'-P energy: -8.119
bonds (distance) P-C4' energy: -9.824
flat angles C4'-P-C4' energy: -8.844
flat angles P-C4'-P energy: -7.266
tors. eta vs tors. theta energy: -7.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -133.424852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.424852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.424852 (E_RNA)
where:
Base-Base interactions energy: -90.036
where: short stacking energy: -39.013
Base-Backbone interact. energy: -1.832
local terms energy: -41.556609
where:
bonds (distance) C4'-P energy: -7.064
bonds (distance) P-C4' energy: -10.147
flat angles C4'-P-C4' energy: -9.675
flat angles P-C4'-P energy: -5.719
tors. eta vs tors. theta energy: -8.952
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: 1
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -121.805559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.805559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.805559 (E_RNA)
where:
Base-Base interactions energy: -84.742
where: short stacking energy: -43.359
Base-Backbone interact. energy: -0.033
local terms energy: -37.031143
where:
bonds (distance) C4'-P energy: -4.682
bonds (distance) P-C4' energy: -8.755
flat angles C4'-P-C4' energy: -7.842
flat angles P-C4'-P energy: -5.386
tors. eta vs tors. theta energy: -10.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -135.605731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.605731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.605731 (E_RNA)
where:
Base-Base interactions energy: -93.230
where: short stacking energy: -40.073
Base-Backbone interact. energy: -0.084
local terms energy: -42.291547
where:
bonds (distance) C4'-P energy: -10.277
bonds (distance) P-C4' energy: -8.128
flat angles C4'-P-C4' energy: -9.736
flat angles P-C4'-P energy: -4.940
tors. eta vs tors. theta energy: -9.210
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: 4
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -128.846362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.846362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.846362 (E_RNA)
where:
Base-Base interactions energy: -90.351
where: short stacking energy: -37.044
Base-Backbone interact. energy: -0.612
local terms energy: -37.883254
where:
bonds (distance) C4'-P energy: -7.983
bonds (distance) P-C4' energy: -8.103
flat angles C4'-P-C4' energy: -7.519
flat angles P-C4'-P energy: -6.562
tors. eta vs tors. theta energy: -7.717
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: 358
Temperature: 1.300000
Total energy: -62.792148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.792148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.792148 (E_RNA)
where:
Base-Base interactions energy: -27.771
where: short stacking energy: -27.771
Base-Backbone interact. energy: -0.003
local terms energy: -35.018330
where:
bonds (distance) C4'-P energy: -8.199
bonds (distance) P-C4' energy: -8.256
flat angles C4'-P-C4' energy: -8.772
flat angles P-C4'-P energy: -4.095
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: 6
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -61.634855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.634855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.634855 (E_RNA)
where:
Base-Base interactions energy: -29.832
where: short stacking energy: -24.435
Base-Backbone interact. energy: -0.024
local terms energy: -31.779285
where:
bonds (distance) C4'-P energy: -8.418
bonds (distance) P-C4' energy: -8.066
flat angles C4'-P-C4' energy: -7.718
flat angles P-C4'-P energy: -1.458
tors. eta vs tors. theta energy: -6.119
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: 8
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -142.576006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.576006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.576006 (E_RNA)
where:
Base-Base interactions energy: -96.929
where: short stacking energy: -46.803
Base-Backbone interact. energy: -0.913
local terms energy: -44.733805
where:
bonds (distance) C4'-P energy: -9.618
bonds (distance) P-C4' energy: -11.336
flat angles C4'-P-C4' energy: -6.935
flat angles P-C4'-P energy: -5.228
tors. eta vs tors. theta energy: -11.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -142.557677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.557677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.557677 (E_RNA)
where:
Base-Base interactions energy: -93.491
where: short stacking energy: -45.384
Base-Backbone interact. energy: -0.017
local terms energy: -49.049496
where:
bonds (distance) C4'-P energy: -9.565
bonds (distance) P-C4' energy: -10.612
flat angles C4'-P-C4' energy: -10.438
flat angles P-C4'-P energy: -7.483
tors. eta vs tors. theta energy: -10.952
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: 3
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -136.153503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.153503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.153503 (E_RNA)
where:
Base-Base interactions energy: -93.443
where: short stacking energy: -45.253
Base-Backbone interact. energy: -0.676
local terms energy: -42.033961
where:
bonds (distance) C4'-P energy: -9.681
bonds (distance) P-C4' energy: -8.668
flat angles C4'-P-C4' energy: -9.948
flat angles P-C4'-P energy: -5.148
tors. eta vs tors. theta energy: -8.589
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: 9
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -134.598916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.598916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.598916 (E_RNA)
where:
Base-Base interactions energy: -91.511
where: short stacking energy: -42.818
Base-Backbone interact. energy: -2.026
local terms energy: -41.061415
where:
bonds (distance) C4'-P energy: -8.260
bonds (distance) P-C4' energy: -7.684
flat angles C4'-P-C4' energy: -10.096
flat angles P-C4'-P energy: -7.174
tors. eta vs tors. theta energy: -7.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -130.992555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.992555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.992555 (E_RNA)
where:
Base-Base interactions energy: -87.407
where: short stacking energy: -39.691
Base-Backbone interact. energy: -0.491
local terms energy: -43.094960
where:
bonds (distance) C4'-P energy: -10.856
bonds (distance) P-C4' energy: -8.693
flat angles C4'-P-C4' energy: -8.561
flat angles P-C4'-P energy: -6.229
tors. eta vs tors. theta energy: -8.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -135.559805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.559805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.559805 (E_RNA)
where:
Base-Base interactions energy: -92.716
where: short stacking energy: -45.126
Base-Backbone interact. energy: -0.294
local terms energy: -42.549327
where:
bonds (distance) C4'-P energy: -7.779
bonds (distance) P-C4' energy: -10.645
flat angles C4'-P-C4' energy: -9.963
flat angles P-C4'-P energy: -6.172
tors. eta vs tors. theta energy: -7.990
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: 1
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -130.301976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.301976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.301976 (E_RNA)
where:
Base-Base interactions energy: -92.206
where: short stacking energy: -40.166
Base-Backbone interact. energy: -1.005
local terms energy: -37.091195
where:
bonds (distance) C4'-P energy: -8.343
bonds (distance) P-C4' energy: -8.410
flat angles C4'-P-C4' energy: -8.215
flat angles P-C4'-P energy: -6.468
tors. eta vs tors. theta energy: -5.655
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: 4
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -126.720252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.720252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.720252 (E_RNA)
where:
Base-Base interactions energy: -87.797
where: short stacking energy: -42.177
Base-Backbone interact. energy: -2.096
local terms energy: -36.827211
where:
bonds (distance) C4'-P energy: -4.229
bonds (distance) P-C4' energy: -8.241
flat angles C4'-P-C4' energy: -7.360
flat angles P-C4'-P energy: -6.036
tors. eta vs tors. theta energy: -10.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -64.575531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.575531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.575531 (E_RNA)
where:
Base-Base interactions energy: -30.285
where: short stacking energy: -23.649
Base-Backbone interact. energy: -0.005
local terms energy: -34.285345
where:
bonds (distance) C4'-P energy: -10.177
bonds (distance) P-C4' energy: -7.833
flat angles C4'-P-C4' energy: -7.834
flat angles P-C4'-P energy: -3.936
tors. eta vs tors. theta energy: -4.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -58.770012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.770012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.770012 (E_RNA)
where:
Base-Base interactions energy: -31.124
where: short stacking energy: -15.609
Base-Backbone interact. energy: -0.308
local terms energy: -27.337468
where:
bonds (distance) C4'-P energy: -8.756
bonds (distance) P-C4' energy: -9.175
flat angles C4'-P-C4' energy: -5.564
flat angles P-C4'-P energy: -7.818
tors. eta vs tors. theta energy: 3.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -144.222457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.222457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.222457 (E_RNA)
where:
Base-Base interactions energy: -98.476
where: short stacking energy: -47.042
Base-Backbone interact. energy: -1.137
local terms energy: -44.609809
where:
bonds (distance) C4'-P energy: -10.045
bonds (distance) P-C4' energy: -8.079
flat angles C4'-P-C4' energy: -9.156
flat angles P-C4'-P energy: -8.255
tors. eta vs tors. theta energy: -9.075
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: 8
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -139.619215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.619215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.619215 (E_RNA)
where:
Base-Base interactions energy: -97.198
where: short stacking energy: -43.251
Base-Backbone interact. energy: -0.875
local terms energy: -41.546455
where:
bonds (distance) C4'-P energy: -7.142
bonds (distance) P-C4' energy: -10.877
flat angles C4'-P-C4' energy: -9.095
flat angles P-C4'-P energy: -4.983
tors. eta vs tors. theta energy: -9.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -136.557294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.557294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.557294 (E_RNA)
where:
Base-Base interactions energy: -92.674
where: short stacking energy: -40.739
Base-Backbone interact. energy: -0.431
local terms energy: -43.452713
where:
bonds (distance) C4'-P energy: -7.196
bonds (distance) P-C4' energy: -8.512
flat angles C4'-P-C4' energy: -8.178
flat angles P-C4'-P energy: -8.077
tors. eta vs tors. theta energy: -11.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -144.800972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.800972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.800972 (E_RNA)
where:
Base-Base interactions energy: -96.016
where: short stacking energy: -44.711
Base-Backbone interact. energy: -1.417
local terms energy: -47.367785
where:
bonds (distance) C4'-P energy: -9.887
bonds (distance) P-C4' energy: -10.168
flat angles C4'-P-C4' energy: -8.737
flat angles P-C4'-P energy: -8.126
tors. eta vs tors. theta energy: -10.450
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: 360
Temperature: 1.100000
Total energy: -139.159679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.159679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.159679 (E_RNA)
where:
Base-Base interactions energy: -97.144
where: short stacking energy: -45.688
Base-Backbone interact. energy: -0.809
local terms energy: -41.206859
where:
bonds (distance) C4'-P energy: -7.922
bonds (distance) P-C4' energy: -6.929
flat angles C4'-P-C4' energy: -7.814
flat angles P-C4'-P energy: -7.586
tors. eta vs tors. theta energy: -10.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -130.959412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.959412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.959412 (E_RNA)
where:
Base-Base interactions energy: -90.531
where: short stacking energy: -40.247
Base-Backbone interact. energy: -0.475
local terms energy: -39.952990
where:
bonds (distance) C4'-P energy: -6.637
bonds (distance) P-C4' energy: -10.158
flat angles C4'-P-C4' energy: -5.040
flat angles P-C4'-P energy: -8.060
tors. eta vs tors. theta energy: -10.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -127.211126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.211126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.211126 (E_RNA)
where:
Base-Base interactions energy: -88.590
where: short stacking energy: -41.259
Base-Backbone interact. energy: -0.389
local terms energy: -38.232098
where:
bonds (distance) C4'-P energy: -7.192
bonds (distance) P-C4' energy: -8.109
flat angles C4'-P-C4' energy: -7.478
flat angles P-C4'-P energy: -4.783
tors. eta vs tors. theta energy: -10.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -124.907311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.907311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.907311 (E_RNA)
where:
Base-Base interactions energy: -89.892
where: short stacking energy: -34.098
Base-Backbone interact. energy: -0.267
local terms energy: -34.749023
where:
bonds (distance) C4'-P energy: -7.787
bonds (distance) P-C4' energy: -7.417
flat angles C4'-P-C4' energy: -9.663
flat angles P-C4'-P energy: -4.924
tors. eta vs tors. theta energy: -4.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -71.393819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.393819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.393819 (E_RNA)
where:
Base-Base interactions energy: -36.058
where: short stacking energy: -31.192
Base-Backbone interact. energy: -0.013
local terms energy: -35.322726
where:
bonds (distance) C4'-P energy: -8.746
bonds (distance) P-C4' energy: -9.345
flat angles C4'-P-C4' energy: -8.833
flat angles P-C4'-P energy: -1.922
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: 10, replica: 2
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -58.907579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.907579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.907579 (E_RNA)
where:
Base-Base interactions energy: -31.222
where: short stacking energy: -31.222
Base-Backbone interact. energy: -0.027
local terms energy: -27.658265
where:
bonds (distance) C4'-P energy: -6.981
bonds (distance) P-C4' energy: -8.886
flat angles C4'-P-C4' energy: -5.383
flat angles P-C4'-P energy: -1.622
tors. eta vs tors. theta energy: -4.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -140.832010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.832010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.832010 (E_RNA)
where:
Base-Base interactions energy: -97.669
where: short stacking energy: -46.126
Base-Backbone interact. energy: -1.193
local terms energy: -41.969925
where:
bonds (distance) C4'-P energy: -9.557
bonds (distance) P-C4' energy: -8.665
flat angles C4'-P-C4' energy: -6.873
flat angles P-C4'-P energy: -6.571
tors. eta vs tors. theta energy: -10.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -135.471264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.471264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.471264 (E_RNA)
where:
Base-Base interactions energy: -98.462
where: short stacking energy: -36.696
Base-Backbone interact. energy: -0.034
local terms energy: -36.975787
where:
bonds (distance) C4'-P energy: -5.590
bonds (distance) P-C4' energy: -9.827
flat angles C4'-P-C4' energy: -9.099
flat angles P-C4'-P energy: -4.100
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: 3, replica: 9
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -135.260956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.260956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.260956 (E_RNA)
where:
Base-Base interactions energy: -96.682
where: short stacking energy: -45.783
Base-Backbone interact. energy: -0.004
local terms energy: -38.574200
where:
bonds (distance) C4'-P energy: -6.572
bonds (distance) P-C4' energy: -6.647
flat angles C4'-P-C4' energy: -10.191
flat angles P-C4'-P energy: -6.564
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: 4, replica: 10
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -130.363129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.363129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.363129 (E_RNA)
where:
Base-Base interactions energy: -93.237
where: short stacking energy: -38.665
Base-Backbone interact. energy: -0.132
local terms energy: -36.994161
where:
bonds (distance) C4'-P energy: -7.203
bonds (distance) P-C4' energy: -8.229
flat angles C4'-P-C4' energy: -9.145
flat angles P-C4'-P energy: -5.789
tors. eta vs tors. theta energy: -6.628
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: 5, replica: 3
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -137.109355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.109355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.109355 (E_RNA)
where:
Base-Base interactions energy: -99.507
where: short stacking energy: -46.288
Base-Backbone interact. energy: -1.149
local terms energy: -36.453788
where:
bonds (distance) C4'-P energy: -8.116
bonds (distance) P-C4' energy: -6.101
flat angles C4'-P-C4' energy: -8.892
flat angles P-C4'-P energy: -4.297
tors. eta vs tors. theta energy: -9.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -130.025461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.025461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.025461 (E_RNA)
where:
Base-Base interactions energy: -87.243
where: short stacking energy: -37.463
Base-Backbone interact. energy: -0.575
local terms energy: -42.207513
where:
bonds (distance) C4'-P energy: -8.224
bonds (distance) P-C4' energy: -10.588
flat angles C4'-P-C4' energy: -8.661
flat angles P-C4'-P energy: -7.553
tors. eta vs tors. theta energy: -7.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -126.533542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.533542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.533542 (E_RNA)
where:
Base-Base interactions energy: -89.816
where: short stacking energy: -41.906
Base-Backbone interact. energy: -0.349
local terms energy: -36.368441
where:
bonds (distance) C4'-P energy: -6.290
bonds (distance) P-C4' energy: -5.203
flat angles C4'-P-C4' energy: -8.492
flat angles P-C4'-P energy: -7.720
tors. eta vs tors. theta energy: -8.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -131.763297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.763297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.763297 (E_RNA)
where:
Base-Base interactions energy: -90.762
where: short stacking energy: -43.484
Base-Backbone interact. energy: -0.281
local terms energy: -40.720406
where:
bonds (distance) C4'-P energy: -9.254
bonds (distance) P-C4' energy: -7.961
flat angles C4'-P-C4' energy: -10.089
flat angles P-C4'-P energy: -3.914
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: 6
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -56.931939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.931939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.931939 (E_RNA)
where:
Base-Base interactions energy: -23.169
where: short stacking energy: -23.169
Base-Backbone interact. energy: -0.001
local terms energy: -33.762490
where:
bonds (distance) C4'-P energy: -6.538
bonds (distance) P-C4' energy: -9.936
flat angles C4'-P-C4' energy: -9.266
flat angles P-C4'-P energy: -5.788
tors. eta vs tors. theta energy: -2.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -60.171513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.171513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.171513 (E_RNA)
where:
Base-Base interactions energy: -31.111
where: short stacking energy: -18.561
Base-Backbone interact. energy: -0.381
local terms energy: -28.678820
where:
bonds (distance) C4'-P energy: -8.029
bonds (distance) P-C4' energy: -7.048
flat angles C4'-P-C4' energy: -5.788
flat angles P-C4'-P energy: -5.436
tors. eta vs tors. theta energy: -2.377
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: 1, replica: 7
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -144.752630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.752630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.752630 (E_RNA)
where:
Base-Base interactions energy: -94.805
where: short stacking energy: -42.391
Base-Backbone interact. energy: -1.374
local terms energy: -48.573888
where:
bonds (distance) C4'-P energy: -9.706
bonds (distance) P-C4' energy: -10.637
flat angles C4'-P-C4' energy: -9.767
flat angles P-C4'-P energy: -8.051
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: 2, replica: 8
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -141.630025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.630025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.630025 (E_RNA)
where:
Base-Base interactions energy: -94.760
where: short stacking energy: -43.774
Base-Backbone interact. energy: -0.045
local terms energy: -46.824170
where:
bonds (distance) C4'-P energy: -9.466
bonds (distance) P-C4' energy: -10.359
flat angles C4'-P-C4' energy: -10.620
flat angles P-C4'-P energy: -5.462
tors. eta vs tors. theta energy: -10.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -137.394284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.394284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.394284 (E_RNA)
where:
Base-Base interactions energy: -98.119
where: short stacking energy: -45.562
Base-Backbone interact. energy: -0.036
local terms energy: -39.239935
where:
bonds (distance) C4'-P energy: -7.399
bonds (distance) P-C4' energy: -7.576
flat angles C4'-P-C4' energy: -9.096
flat angles P-C4'-P energy: -7.646
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: 4, replica: 9
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -139.562393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.562393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.562393 (E_RNA)
where:
Base-Base interactions energy: -94.692
where: short stacking energy: -45.348
Base-Backbone interact. energy: -1.487
local terms energy: -43.383344
where:
bonds (distance) C4'-P energy: -9.097
bonds (distance) P-C4' energy: -8.625
flat angles C4'-P-C4' energy: -8.905
flat angles P-C4'-P energy: -6.460
tors. eta vs tors. theta energy: -10.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -131.789777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.789777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.789777 (E_RNA)
where:
Base-Base interactions energy: -90.042
where: short stacking energy: -43.069
Base-Backbone interact. energy: -0.390
local terms energy: -41.357368
where:
bonds (distance) C4'-P energy: -6.918
bonds (distance) P-C4' energy: -10.186
flat angles C4'-P-C4' energy: -9.833
flat angles P-C4'-P energy: -6.277
tors. eta vs tors. theta energy: -8.142
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: 6, replica: 3
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -128.459738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.459738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.459738 (E_RNA)
where:
Base-Base interactions energy: -90.802
where: short stacking energy: -41.010
Base-Backbone interact. energy: -0.051
local terms energy: -37.606896
where:
bonds (distance) C4'-P energy: -8.521
bonds (distance) P-C4' energy: -8.287
flat angles C4'-P-C4' energy: -5.535
flat angles P-C4'-P energy: -8.546
tors. eta vs tors. theta energy: -6.717
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: 4
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -128.343511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.343511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.343511 (E_RNA)
where:
Base-Base interactions energy: -92.693
where: short stacking energy: -38.472
Base-Backbone interact. energy: 0.651
local terms energy: -36.301788
where:
bonds (distance) C4'-P energy: -7.088
bonds (distance) P-C4' energy: -9.352
flat angles C4'-P-C4' energy: -8.066
flat angles P-C4'-P energy: -2.115
tors. eta vs tors. theta energy: -9.681
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: 5
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -133.874246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.874246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.874246 (E_RNA)
where:
Base-Base interactions energy: -89.176
where: short stacking energy: -41.597
Base-Backbone interact. energy: -0.021
local terms energy: -44.676788
where:
bonds (distance) C4'-P energy: -8.890
bonds (distance) P-C4' energy: -10.168
flat angles C4'-P-C4' energy: -8.225
flat angles P-C4'-P energy: -7.077
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: 9, replica: 2
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -64.744835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.744835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.744835 (E_RNA)
where:
Base-Base interactions energy: -31.023
where: short stacking energy: -29.422
Base-Backbone interact. energy: -0.001
local terms energy: -33.719972
where:
bonds (distance) C4'-P energy: -8.331
bonds (distance) P-C4' energy: -11.371
flat angles C4'-P-C4' energy: -4.640
flat angles P-C4'-P energy: -3.324
tors. eta vs tors. theta energy: -6.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -77.362453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.362453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.362453 (E_RNA)
where:
Base-Base interactions energy: -45.167
where: short stacking energy: -16.818
Base-Backbone interact. energy: -0.112
local terms energy: -32.083800
where:
bonds (distance) C4'-P energy: -6.633
bonds (distance) P-C4' energy: -8.567
flat angles C4'-P-C4' energy: -8.979
flat angles P-C4'-P energy: -7.694
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: 7
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -135.347817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.347817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.347817 (E_RNA)
where:
Base-Base interactions energy: -95.462
where: short stacking energy: -44.148
Base-Backbone interact. energy: -0.221
local terms energy: -39.664219
where:
bonds (distance) C4'-P energy: -8.836
bonds (distance) P-C4' energy: -8.573
flat angles C4'-P-C4' energy: -8.980
flat angles P-C4'-P energy: -4.180
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: 2, replica: 10
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -141.343022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.343022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.343022 (E_RNA)
where:
Base-Base interactions energy: -97.599
where: short stacking energy: -45.535
Base-Backbone interact. energy: -0.608
local terms energy: -43.135527
where:
bonds (distance) C4'-P energy: -8.012
bonds (distance) P-C4' energy: -9.107
flat angles C4'-P-C4' energy: -9.238
flat angles P-C4'-P energy: -6.929
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: 3, replica: 8
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -137.858358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.858358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.858358 (E_RNA)
where:
Base-Base interactions energy: -96.026
where: short stacking energy: -40.239
Base-Backbone interact. energy: -1.757
local terms energy: -40.074689
where:
bonds (distance) C4'-P energy: -8.915
bonds (distance) P-C4' energy: -8.358
flat angles C4'-P-C4' energy: -7.775
flat angles P-C4'-P energy: -5.606
tors. eta vs tors. theta energy: -9.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -138.549745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.549745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.549745 (E_RNA)
where:
Base-Base interactions energy: -95.040
where: short stacking energy: -44.718
Base-Backbone interact. energy: -0.015
local terms energy: -43.494561
where:
bonds (distance) C4'-P energy: -9.121
bonds (distance) P-C4' energy: -6.485
flat angles C4'-P-C4' energy: -10.149
flat angles P-C4'-P energy: -7.439
tors. eta vs tors. theta energy: -10.300
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: 363
Temperature: 1.100000
Total energy: -133.877720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.877720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.877720 (E_RNA)
where:
Base-Base interactions energy: -90.452
where: short stacking energy: -46.753
Base-Backbone interact. energy: -0.296
local terms energy: -43.129670
where:
bonds (distance) C4'-P energy: -8.214
bonds (distance) P-C4' energy: -10.684
flat angles C4'-P-C4' energy: -8.754
flat angles P-C4'-P energy: -5.466
tors. eta vs tors. theta energy: -10.012
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: 4
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -134.897372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.897372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.897372 (E_RNA)
where:
Base-Base interactions energy: -95.322
where: short stacking energy: -45.185
Base-Backbone interact. energy: 0.441
local terms energy: -40.016890
where:
bonds (distance) C4'-P energy: -4.969
bonds (distance) P-C4' energy: -7.938
flat angles C4'-P-C4' energy: -10.023
flat angles P-C4'-P energy: -7.983
tors. eta vs tors. theta energy: -9.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -124.648863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.648863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.648863 (E_RNA)
where:
Base-Base interactions energy: -85.900
where: short stacking energy: -37.983
Base-Backbone interact. energy: -1.370
local terms energy: -37.378377
where:
bonds (distance) C4'-P energy: -7.317
bonds (distance) P-C4' energy: -9.141
flat angles C4'-P-C4' energy: -8.257
flat angles P-C4'-P energy: -6.792
tors. eta vs tors. theta energy: -5.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -127.574937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.574937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.574937 (E_RNA)
where:
Base-Base interactions energy: -91.748
where: short stacking energy: -32.150
Base-Backbone interact. energy: -0.001
local terms energy: -35.826384
where:
bonds (distance) C4'-P energy: -7.602
bonds (distance) P-C4' energy: -7.258
flat angles C4'-P-C4' energy: -9.445
flat angles P-C4'-P energy: -1.549
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: 9, replica: 2
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -52.188428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.188428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.188428 (E_RNA)
where:
Base-Base interactions energy: -26.277
where: short stacking energy: -17.053
Base-Backbone interact. energy: -0.017
local terms energy: -25.894911
where:
bonds (distance) C4'-P energy: -4.637
bonds (distance) P-C4' energy: -5.955
flat angles C4'-P-C4' energy: -7.481
flat angles P-C4'-P energy: -5.987
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: 10, replica: 6
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -60.936764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.936764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.936764 (E_RNA)
where:
Base-Base interactions energy: -24.192
where: short stacking energy: -24.192
Base-Backbone interact. energy: -0.283
local terms energy: -36.461766
where:
bonds (distance) C4'-P energy: -9.163
bonds (distance) P-C4' energy: -9.671
flat angles C4'-P-C4' energy: -9.696
flat angles P-C4'-P energy: -4.674
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: 1, replica: 10
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -142.007789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.007789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.007789 (E_RNA)
where:
Base-Base interactions energy: -99.735
where: short stacking energy: -45.994
Base-Backbone interact. energy: -1.462
local terms energy: -40.811054
where:
bonds (distance) C4'-P energy: -9.121
bonds (distance) P-C4' energy: -8.727
flat angles C4'-P-C4' energy: -8.208
flat angles P-C4'-P energy: -6.079
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: 2, replica: 7
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -135.640170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.640170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.640170 (E_RNA)
where:
Base-Base interactions energy: -90.980
where: short stacking energy: -39.245
Base-Backbone interact. energy: -0.818
local terms energy: -43.842522
where:
bonds (distance) C4'-P energy: -8.281
bonds (distance) P-C4' energy: -11.099
flat angles C4'-P-C4' energy: -8.680
flat angles P-C4'-P energy: -7.232
tors. eta vs tors. theta energy: -8.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -137.873497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.873497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.873497 (E_RNA)
where:
Base-Base interactions energy: -93.529
where: short stacking energy: -42.900
Base-Backbone interact. energy: -1.419
local terms energy: -42.925677
where:
bonds (distance) C4'-P energy: -9.609
bonds (distance) P-C4' energy: -7.453
flat angles C4'-P-C4' energy: -8.413
flat angles P-C4'-P energy: -6.997
tors. eta vs tors. theta energy: -10.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -138.411543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.411543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.411543 (E_RNA)
where:
Base-Base interactions energy: -92.635
where: short stacking energy: -43.669
Base-Backbone interact. energy: -0.613
local terms energy: -45.162919
where:
bonds (distance) C4'-P energy: -7.788
bonds (distance) P-C4' energy: -9.831
flat angles C4'-P-C4' energy: -9.880
flat angles P-C4'-P energy: -7.369
tors. eta vs tors. theta energy: -10.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -131.251813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.251813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.251813 (E_RNA)
where:
Base-Base interactions energy: -88.889
where: short stacking energy: -39.271
Base-Backbone interact. energy: -1.301
local terms energy: -41.061629
where:
bonds (distance) C4'-P energy: -7.167
bonds (distance) P-C4' energy: -8.601
flat angles C4'-P-C4' energy: -8.907
flat angles P-C4'-P energy: -8.517
tors. eta vs tors. theta energy: -7.870
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: 4
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -128.489744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.489744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.489744 (E_RNA)
where:
Base-Base interactions energy: -91.760
where: short stacking energy: -34.139
Base-Backbone interact. energy: -0.046
local terms energy: -36.683948
where:
bonds (distance) C4'-P energy: -8.562
bonds (distance) P-C4' energy: -10.910
flat angles C4'-P-C4' energy: -4.389
flat angles P-C4'-P energy: -3.191
tors. eta vs tors. theta energy: -9.632
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: 7, replica: 5
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -126.835718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.835718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.835718 (E_RNA)
where:
Base-Base interactions energy: -87.620
where: short stacking energy: -43.419
Base-Backbone interact. energy: -0.072
local terms energy: -39.143267
where:
bonds (distance) C4'-P energy: -4.638
bonds (distance) P-C4' energy: -10.091
flat angles C4'-P-C4' energy: -9.644
flat angles P-C4'-P energy: -5.525
tors. eta vs tors. theta energy: -9.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -130.983272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.983272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.983272 (E_RNA)
where:
Base-Base interactions energy: -89.035
where: short stacking energy: -40.403
Base-Backbone interact. energy: -0.782
local terms energy: -41.165833
where:
bonds (distance) C4'-P energy: -9.307
bonds (distance) P-C4' energy: -7.004
flat angles C4'-P-C4' energy: -10.071
flat angles P-C4'-P energy: -7.432
tors. eta vs tors. theta energy: -7.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -70.814369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.814369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.814369 (E_RNA)
where:
Base-Base interactions energy: -35.632
where: short stacking energy: -23.656
Base-Backbone interact. energy: -1.321
local terms energy: -33.860819
where:
bonds (distance) C4'-P energy: -6.174
bonds (distance) P-C4' energy: -10.416
flat angles C4'-P-C4' energy: -9.456
flat angles P-C4'-P energy: -6.796
tors. eta vs tors. theta energy: -1.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -59.836310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.836310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.836310 (E_RNA)
where:
Base-Base interactions energy: -29.076
where: short stacking energy: -29.076
Base-Backbone interact. energy: -0.020
local terms energy: -30.739667
where:
bonds (distance) C4'-P energy: -8.338
bonds (distance) P-C4' energy: -7.709
flat angles C4'-P-C4' energy: -6.298
flat angles P-C4'-P energy: -5.306
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: 1, replica: 10
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -144.107876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.107876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.107876 (E_RNA)
where:
Base-Base interactions energy: -98.022
where: short stacking energy: -46.756
Base-Backbone interact. energy: -2.043
local terms energy: -44.042884
where:
bonds (distance) C4'-P energy: -9.503
bonds (distance) P-C4' energy: -10.172
flat angles C4'-P-C4' energy: -6.907
flat angles P-C4'-P energy: -7.105
tors. eta vs tors. theta energy: -10.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -139.974084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.974084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.974084 (E_RNA)
where:
Base-Base interactions energy: -88.822
where: short stacking energy: -41.895
Base-Backbone interact. energy: -0.900
local terms energy: -50.252185
where:
bonds (distance) C4'-P energy: -9.333
bonds (distance) P-C4' energy: -10.355
flat angles C4'-P-C4' energy: -9.354
flat angles P-C4'-P energy: -8.607
tors. eta vs tors. theta energy: -12.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -140.781541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.781541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.781541 (E_RNA)
where:
Base-Base interactions energy: -95.806
where: short stacking energy: -45.760
Base-Backbone interact. energy: -0.419
local terms energy: -44.556299
where:
bonds (distance) C4'-P energy: -8.882
bonds (distance) P-C4' energy: -9.387
flat angles C4'-P-C4' energy: -8.215
flat angles P-C4'-P energy: -8.544
tors. eta vs tors. theta energy: -9.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -134.221175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.221175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.221175 (E_RNA)
where:
Base-Base interactions energy: -90.353
where: short stacking energy: -40.763
Base-Backbone interact. energy: -0.520
local terms energy: -43.348525
where:
bonds (distance) C4'-P energy: -9.929
bonds (distance) P-C4' energy: -8.224
flat angles C4'-P-C4' energy: -8.547
flat angles P-C4'-P energy: -7.011
tors. eta vs tors. theta energy: -9.637
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: 9
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -136.203387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.203387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.203387 (E_RNA)
where:
Base-Base interactions energy: -95.080
where: short stacking energy: -44.490
Base-Backbone interact. energy: -0.519
local terms energy: -40.604497
where:
bonds (distance) C4'-P energy: -9.006
bonds (distance) P-C4' energy: -8.284
flat angles C4'-P-C4' energy: -7.260
flat angles P-C4'-P energy: -7.624
tors. eta vs tors. theta energy: -8.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -134.491696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.491696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.491696 (E_RNA)
where:
Base-Base interactions energy: -91.354
where: short stacking energy: -42.242
Base-Backbone interact. energy: -0.657
local terms energy: -42.480879
where:
bonds (distance) C4'-P energy: -8.572
bonds (distance) P-C4' energy: -5.993
flat angles C4'-P-C4' energy: -8.840
flat angles P-C4'-P energy: -8.438
tors. eta vs tors. theta energy: -10.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -128.652587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.652587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.652587 (E_RNA)
where:
Base-Base interactions energy: -88.156
where: short stacking energy: -37.822
Base-Backbone interact. energy: 0.556
local terms energy: -41.053445
where:
bonds (distance) C4'-P energy: -8.997
bonds (distance) P-C4' energy: -8.876
flat angles C4'-P-C4' energy: -8.983
flat angles P-C4'-P energy: -6.654
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: 3
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -124.121373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.121373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.121373 (E_RNA)
where:
Base-Base interactions energy: -84.360
where: short stacking energy: -34.118
Base-Backbone interact. energy: -0.573
local terms energy: -39.188156
where:
bonds (distance) C4'-P energy: -6.906
bonds (distance) P-C4' energy: -8.160
flat angles C4'-P-C4' energy: -9.032
flat angles P-C4'-P energy: -4.726
tors. eta vs tors. theta energy: -10.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -64.323659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.323659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.323659 (E_RNA)
where:
Base-Base interactions energy: -31.746
where: short stacking energy: -31.746
Base-Backbone interact. energy: -0.083
local terms energy: -32.494829
where:
bonds (distance) C4'-P energy: -7.118
bonds (distance) P-C4' energy: -7.060
flat angles C4'-P-C4' energy: -7.593
flat angles P-C4'-P energy: -7.304
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: 10, replica: 2
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -51.398424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.398424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.398424 (E_RNA)
where:
Base-Base interactions energy: -21.011
where: short stacking energy: -21.011
Base-Backbone interact. energy: -0.321
local terms energy: -30.066222
where:
bonds (distance) C4'-P energy: -8.608
bonds (distance) P-C4' energy: -10.211
flat angles C4'-P-C4' energy: -7.401
flat angles P-C4'-P energy: -4.962
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: 1, replica: 10
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -142.797071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.797071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.797071 (E_RNA)
where:
Base-Base interactions energy: -99.275
where: short stacking energy: -46.490
Base-Backbone interact. energy: -0.166
local terms energy: -43.355358
where:
bonds (distance) C4'-P energy: -7.798
bonds (distance) P-C4' energy: -8.841
flat angles C4'-P-C4' energy: -8.787
flat angles P-C4'-P energy: -6.865
tors. eta vs tors. theta energy: -11.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -141.827427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.827427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.827427 (E_RNA)
where:
Base-Base interactions energy: -96.591
where: short stacking energy: -45.026
Base-Backbone interact. energy: -0.503
local terms energy: -44.734193
where:
bonds (distance) C4'-P energy: -10.214
bonds (distance) P-C4' energy: -10.652
flat angles C4'-P-C4' energy: -9.924
flat angles P-C4'-P energy: -5.544
tors. eta vs tors. theta energy: -8.400
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: 7
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -132.881692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.881692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.881692 (E_RNA)
where:
Base-Base interactions energy: -89.887
where: short stacking energy: -42.698
Base-Backbone interact. energy: -0.044
local terms energy: -42.950894
where:
bonds (distance) C4'-P energy: -10.070
bonds (distance) P-C4' energy: -9.873
flat angles C4'-P-C4' energy: -9.352
flat angles P-C4'-P energy: -4.856
tors. eta vs tors. theta energy: -8.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -136.921269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.921269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.921269 (E_RNA)
where:
Base-Base interactions energy: -90.754
where: short stacking energy: -39.439
Base-Backbone interact. energy: -1.760
local terms energy: -44.406974
where:
bonds (distance) C4'-P energy: -9.983
bonds (distance) P-C4' energy: -10.665
flat angles C4'-P-C4' energy: -8.861
flat angles P-C4'-P energy: -4.989
tors. eta vs tors. theta energy: -9.909
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: 9
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -138.718388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.718388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.718388 (E_RNA)
where:
Base-Base interactions energy: -94.521
where: short stacking energy: -44.812
Base-Backbone interact. energy: -0.355
local terms energy: -43.842721
where:
bonds (distance) C4'-P energy: -9.208
bonds (distance) P-C4' energy: -9.168
flat angles C4'-P-C4' energy: -9.773
flat angles P-C4'-P energy: -5.586
tors. eta vs tors. theta energy: -10.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -123.475037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.475037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.475037 (E_RNA)
where:
Base-Base interactions energy: -83.640
where: short stacking energy: -28.796
Base-Backbone interact. energy: -0.478
local terms energy: -39.356899
where:
bonds (distance) C4'-P energy: -10.231
bonds (distance) P-C4' energy: -6.765
flat angles C4'-P-C4' energy: -10.462
flat angles P-C4'-P energy: -6.239
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: 3
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -131.384161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.384161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.384161 (E_RNA)
where:
Base-Base interactions energy: -90.230
where: short stacking energy: -42.149
Base-Backbone interact. energy: -0.042
local terms energy: -41.111323
where:
bonds (distance) C4'-P energy: -8.364
bonds (distance) P-C4' energy: -8.426
flat angles C4'-P-C4' energy: -9.662
flat angles P-C4'-P energy: -4.669
tors. eta vs tors. theta energy: -9.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -120.124003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.124003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.124003 (E_RNA)
where:
Base-Base interactions energy: -82.452
where: short stacking energy: -32.656
Base-Backbone interact. energy: -0.028
local terms energy: -37.644382
where:
bonds (distance) C4'-P energy: -9.068
bonds (distance) P-C4' energy: -10.147
flat angles C4'-P-C4' energy: -9.808
flat angles P-C4'-P energy: -2.761
tors. eta vs tors. theta energy: -5.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -67.875735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.875735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.875735 (E_RNA)
where:
Base-Base interactions energy: -33.619
where: short stacking energy: -21.810
Base-Backbone interact. energy: -0.052
local terms energy: -34.205038
where:
bonds (distance) C4'-P energy: -8.621
bonds (distance) P-C4' energy: -9.576
flat angles C4'-P-C4' energy: -5.744
flat angles P-C4'-P energy: -3.756
tors. eta vs tors. theta energy: -6.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -55.963303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.963303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.963303 (E_RNA)
where:
Base-Base interactions energy: -23.114
where: short stacking energy: -23.114
Base-Backbone interact. energy: -0.008
local terms energy: -32.840813
where:
bonds (distance) C4'-P energy: -7.433
bonds (distance) P-C4' energy: -7.316
flat angles C4'-P-C4' energy: -8.307
flat angles P-C4'-P energy: -5.670
tors. eta vs tors. theta energy: -4.115
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: 367
Temperature: 0.900000
Total energy: -143.355122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.355122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.355122 (E_RNA)
where:
Base-Base interactions energy: -94.847
where: short stacking energy: -43.923
Base-Backbone interact. energy: -0.775
local terms energy: -47.732795
where:
bonds (distance) C4'-P energy: -9.875
bonds (distance) P-C4' energy: -9.242
flat angles C4'-P-C4' energy: -10.586
flat angles P-C4'-P energy: -8.185
tors. eta vs tors. theta energy: -9.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -134.569642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.569642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.569642 (E_RNA)
where:
Base-Base interactions energy: -92.360
where: short stacking energy: -46.091
Base-Backbone interact. energy: -0.000
local terms energy: -42.209553
where:
bonds (distance) C4'-P energy: -8.508
bonds (distance) P-C4' energy: -9.330
flat angles C4'-P-C4' energy: -7.265
flat angles P-C4'-P energy: -7.466
tors. eta vs tors. theta energy: -9.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -141.790983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.790983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.790983 (E_RNA)
where:
Base-Base interactions energy: -94.440
where: short stacking energy: -42.185
Base-Backbone interact. energy: -1.635
local terms energy: -45.716265
where:
bonds (distance) C4'-P energy: -8.550
bonds (distance) P-C4' energy: -9.675
flat angles C4'-P-C4' energy: -10.744
flat angles P-C4'-P energy: -7.706
tors. eta vs tors. theta energy: -9.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -137.985957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.985957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.985957 (E_RNA)
where:
Base-Base interactions energy: -93.735
where: short stacking energy: -43.330
Base-Backbone interact. energy: -0.004
local terms energy: -44.246569
where:
bonds (distance) C4'-P energy: -10.640
bonds (distance) P-C4' energy: -9.414
flat angles C4'-P-C4' energy: -8.802
flat angles P-C4'-P energy: -6.692
tors. eta vs tors. theta energy: -8.699
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: 1
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -140.311251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.311251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.311251 (E_RNA)
where:
Base-Base interactions energy: -96.134
where: short stacking energy: -45.119
Base-Backbone interact. energy: -1.298
local terms energy: -42.879447
where:
bonds (distance) C4'-P energy: -9.573
bonds (distance) P-C4' energy: -7.922
flat angles C4'-P-C4' energy: -9.580
flat angles P-C4'-P energy: -6.792
tors. eta vs tors. theta energy: -9.012
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: 3
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -132.462851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.462851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.462851 (E_RNA)
where:
Base-Base interactions energy: -89.609
where: short stacking energy: -43.699
Base-Backbone interact. energy: -1.522
local terms energy: -41.332075
where:
bonds (distance) C4'-P energy: -10.045
bonds (distance) P-C4' energy: -8.025
flat angles C4'-P-C4' energy: -6.292
flat angles P-C4'-P energy: -7.813
tors. eta vs tors. theta energy: -9.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -129.885766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.885766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.885766 (E_RNA)
where:
Base-Base interactions energy: -88.081
where: short stacking energy: -39.763
Base-Backbone interact. energy: -0.592
local terms energy: -41.212675
where:
bonds (distance) C4'-P energy: -9.573
bonds (distance) P-C4' energy: -8.224
flat angles C4'-P-C4' energy: -8.644
flat angles P-C4'-P energy: -6.646
tors. eta vs tors. theta energy: -8.126
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: 367
Temperature: 1.250000
Total energy: -83.262082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.262082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.262082 (E_RNA)
where:
Base-Base interactions energy: -52.204
where: short stacking energy: -26.396
Base-Backbone interact. energy: -0.536
local terms energy: -30.522547
where:
bonds (distance) C4'-P energy: -4.957
bonds (distance) P-C4' energy: -10.867
flat angles C4'-P-C4' energy: -9.507
flat angles P-C4'-P energy: -1.751
tors. eta vs tors. theta energy: -3.440
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: 4
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -127.938615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.938615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.938615 (E_RNA)
where:
Base-Base interactions energy: -92.262
where: short stacking energy: -43.584
Base-Backbone interact. energy: -0.002
local terms energy: -35.674491
where:
bonds (distance) C4'-P energy: -5.172
bonds (distance) P-C4' energy: -9.576
flat angles C4'-P-C4' energy: -5.942
flat angles P-C4'-P energy: -5.060
tors. eta vs tors. theta energy: -9.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -60.499427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.499427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.499427 (E_RNA)
where:
Base-Base interactions energy: -23.837
where: short stacking energy: -23.837
Base-Backbone interact. energy: -0.023
local terms energy: -36.639982
where:
bonds (distance) C4'-P energy: -9.536
bonds (distance) P-C4' energy: -8.833
flat angles C4'-P-C4' energy: -7.233
flat angles P-C4'-P energy: -7.015
tors. eta vs tors. theta energy: -4.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -142.209317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.209317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.209317 (E_RNA)
where:
Base-Base interactions energy: -101.127
where: short stacking energy: -40.376
Base-Backbone interact. energy: -0.649
local terms energy: -40.433338
where:
bonds (distance) C4'-P energy: -7.126
bonds (distance) P-C4' energy: -10.877
flat angles C4'-P-C4' energy: -9.077
flat angles P-C4'-P energy: -5.136
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: 2, replica: 10
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -143.008743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.008743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.008743 (E_RNA)
where:
Base-Base interactions energy: -98.864
where: short stacking energy: -47.479
Base-Backbone interact. energy: -0.588
local terms energy: -43.556480
where:
bonds (distance) C4'-P energy: -8.011
bonds (distance) P-C4' energy: -11.110
flat angles C4'-P-C4' energy: -8.355
flat angles P-C4'-P energy: -6.048
tors. eta vs tors. theta energy: -10.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -139.177724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.177724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.177724 (E_RNA)
where:
Base-Base interactions energy: -96.501
where: short stacking energy: -46.103
Base-Backbone interact. energy: -0.866
local terms energy: -41.810208
where:
bonds (distance) C4'-P energy: -9.403
bonds (distance) P-C4' energy: -8.984
flat angles C4'-P-C4' energy: -8.582
flat angles P-C4'-P energy: -6.879
tors. eta vs tors. theta energy: -7.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -137.486086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.486086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.486086 (E_RNA)
where:
Base-Base interactions energy: -94.482
where: short stacking energy: -44.910
Base-Backbone interact. energy: 0.477
local terms energy: -43.480822
where:
bonds (distance) C4'-P energy: -5.379
bonds (distance) P-C4' energy: -10.563
flat angles C4'-P-C4' energy: -10.519
flat angles P-C4'-P energy: -7.477
tors. eta vs tors. theta energy: -9.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -130.102710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.102710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.102710 (E_RNA)
where:
Base-Base interactions energy: -88.707
where: short stacking energy: -38.829
Base-Backbone interact. energy: -1.254
local terms energy: -40.141780
where:
bonds (distance) C4'-P energy: -5.942
bonds (distance) P-C4' energy: -9.536
flat angles C4'-P-C4' energy: -10.532
flat angles P-C4'-P energy: -6.110
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: 6, replica: 1
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -133.043103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.043103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.043103 (E_RNA)
where:
Base-Base interactions energy: -100.906
where: short stacking energy: -38.162
Base-Backbone interact. energy: -0.356
local terms energy: -31.781235
where:
bonds (distance) C4'-P energy: -8.748
bonds (distance) P-C4' energy: -4.131
flat angles C4'-P-C4' energy: -7.984
flat angles P-C4'-P energy: -4.034
tors. eta vs tors. theta energy: -6.885
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: 5
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -129.096860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.096860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.096860 (E_RNA)
where:
Base-Base interactions energy: -89.318
where: short stacking energy: -40.797
Base-Backbone interact. energy: -0.715
local terms energy: -39.063558
where:
bonds (distance) C4'-P energy: -8.766
bonds (distance) P-C4' energy: -10.390
flat angles C4'-P-C4' energy: -9.151
flat angles P-C4'-P energy: -3.573
tors. eta vs tors. theta energy: -7.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -65.172370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.172370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.172370 (E_RNA)
where:
Base-Base interactions energy: -26.800
where: short stacking energy: -26.800
Base-Backbone interact. energy: -0.048
local terms energy: -38.324421
where:
bonds (distance) C4'-P energy: -6.111
bonds (distance) P-C4' energy: -9.610
flat angles C4'-P-C4' energy: -9.532
flat angles P-C4'-P energy: -7.417
tors. eta vs tors. theta energy: -5.654
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: 4
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -117.531198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.531198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.531198 (E_RNA)
where:
Base-Base interactions energy: -83.412
where: short stacking energy: -37.546
Base-Backbone interact. energy: -0.742
local terms energy: -33.377163
where:
bonds (distance) C4'-P energy: -8.819
bonds (distance) P-C4' energy: -8.193
flat angles C4'-P-C4' energy: -4.951
flat angles P-C4'-P energy: -5.566
tors. eta vs tors. theta energy: -5.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -64.231776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.231776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.231776 (E_RNA)
where:
Base-Base interactions energy: -29.287
where: short stacking energy: -15.763
Base-Backbone interact. energy: -0.084
local terms energy: -34.860532
where:
bonds (distance) C4'-P energy: -9.093
bonds (distance) P-C4' energy: -10.236
flat angles C4'-P-C4' energy: -4.774
flat angles P-C4'-P energy: -7.450
tors. eta vs tors. theta energy: -3.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -139.752498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.752498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.752498 (E_RNA)
where:
Base-Base interactions energy: -91.654
where: short stacking energy: -44.808
Base-Backbone interact. energy: -0.006
local terms energy: -48.092356
where:
bonds (distance) C4'-P energy: -10.161
bonds (distance) P-C4' energy: -10.870
flat angles C4'-P-C4' energy: -9.822
flat angles P-C4'-P energy: -7.037
tors. eta vs tors. theta energy: -10.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -139.925404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.925404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.925404 (E_RNA)
where:
Base-Base interactions energy: -92.649
where: short stacking energy: -43.083
Base-Backbone interact. energy: -1.068
local terms energy: -46.208846
where:
bonds (distance) C4'-P energy: -9.457
bonds (distance) P-C4' energy: -9.957
flat angles C4'-P-C4' energy: -8.475
flat angles P-C4'-P energy: -8.183
tors. eta vs tors. theta energy: -10.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -138.808031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.808031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.808031 (E_RNA)
where:
Base-Base interactions energy: -94.325
where: short stacking energy: -43.964
Base-Backbone interact. energy: -1.799
local terms energy: -42.683849
where:
bonds (distance) C4'-P energy: -6.560
bonds (distance) P-C4' energy: -9.591
flat angles C4'-P-C4' energy: -9.397
flat angles P-C4'-P energy: -6.478
tors. eta vs tors. theta energy: -10.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -139.207465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.207465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.207465 (E_RNA)
where:
Base-Base interactions energy: -95.758
where: short stacking energy: -43.371
Base-Backbone interact. energy: -0.080
local terms energy: -43.369357
where:
bonds (distance) C4'-P energy: -6.989
bonds (distance) P-C4' energy: -9.827
flat angles C4'-P-C4' energy: -10.789
flat angles P-C4'-P energy: -5.260
tors. eta vs tors. theta energy: -10.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -135.746973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.746973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.746973 (E_RNA)
where:
Base-Base interactions energy: -95.756
where: short stacking energy: -43.947
Base-Backbone interact. energy: -0.287
local terms energy: -39.703992
where:
bonds (distance) C4'-P energy: -8.385
bonds (distance) P-C4' energy: -8.343
flat angles C4'-P-C4' energy: -9.948
flat angles P-C4'-P energy: -5.075
tors. eta vs tors. theta energy: -7.952
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: 1
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -131.065299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.065299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.065299 (E_RNA)
where:
Base-Base interactions energy: -91.618
where: short stacking energy: -44.949
Base-Backbone interact. energy: -0.019
local terms energy: -39.428655
where:
bonds (distance) C4'-P energy: -5.101
bonds (distance) P-C4' energy: -8.214
flat angles C4'-P-C4' energy: -10.197
flat angles P-C4'-P energy: -7.299
tors. eta vs tors. theta energy: -8.618
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: 5
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -138.897498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.897498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.897498 (E_RNA)
where:
Base-Base interactions energy: -105.346
where: short stacking energy: -42.548
Base-Backbone interact. energy: -0.033
local terms energy: -33.518899
where:
bonds (distance) C4'-P energy: -8.588
bonds (distance) P-C4' energy: -9.932
flat angles C4'-P-C4' energy: -4.457
flat angles P-C4'-P energy: -2.118
tors. eta vs tors. theta energy: -8.424
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: 8, replica: 4
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -135.161648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.161648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.161648 (E_RNA)
where:
Base-Base interactions energy: -89.868
where: short stacking energy: -39.431
Base-Backbone interact. energy: -0.567
local terms energy: -44.726370
where:
bonds (distance) C4'-P energy: -9.022
bonds (distance) P-C4' energy: -9.034
flat angles C4'-P-C4' energy: -8.647
flat angles P-C4'-P energy: -7.689
tors. eta vs tors. theta energy: -10.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -72.672487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.672487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.672487 (E_RNA)
where:
Base-Base interactions energy: -35.598
where: short stacking energy: -24.738
Base-Backbone interact. energy: -0.062
local terms energy: -37.012701
where:
bonds (distance) C4'-P energy: -10.153
bonds (distance) P-C4' energy: -9.978
flat angles C4'-P-C4' energy: -6.695
flat angles P-C4'-P energy: -6.545
tors. eta vs tors. theta energy: -3.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -68.265225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.265225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.265225 (E_RNA)
where:
Base-Base interactions energy: -33.992
where: short stacking energy: -25.759
Base-Backbone interact. energy: -0.005
local terms energy: -34.269003
where:
bonds (distance) C4'-P energy: -8.103
bonds (distance) P-C4' energy: -8.879
flat angles C4'-P-C4' energy: -8.008
flat angles P-C4'-P energy: -7.018
tors. eta vs tors. theta energy: -2.260
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: 9
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -142.843703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.843703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.843703 (E_RNA)
where:
Base-Base interactions energy: -96.616
where: short stacking energy: -45.205
Base-Backbone interact. energy: -0.011
local terms energy: -46.216692
where:
bonds (distance) C4'-P energy: -9.022
bonds (distance) P-C4' energy: -11.106
flat angles C4'-P-C4' energy: -8.032
flat angles P-C4'-P energy: -7.412
tors. eta vs tors. theta energy: -10.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -135.489543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.489543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.489543 (E_RNA)
where:
Base-Base interactions energy: -91.435
where: short stacking energy: -45.958
Base-Backbone interact. energy: -0.002
local terms energy: -44.052948
where:
bonds (distance) C4'-P energy: -7.929
bonds (distance) P-C4' energy: -9.954
flat angles C4'-P-C4' energy: -10.593
flat angles P-C4'-P energy: -7.206
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: 3, replica: 8
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -139.025226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.025226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.025226 (E_RNA)
where:
Base-Base interactions energy: -97.106
where: short stacking energy: -43.507
Base-Backbone interact. energy: -0.129
local terms energy: -41.789292
where:
bonds (distance) C4'-P energy: -8.003
bonds (distance) P-C4' energy: -10.454
flat angles C4'-P-C4' energy: -9.751
flat angles P-C4'-P energy: -5.306
tors. eta vs tors. theta energy: -8.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -141.195354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.195354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.195354 (E_RNA)
where:
Base-Base interactions energy: -92.186
where: short stacking energy: -45.697
Base-Backbone interact. energy: -1.406
local terms energy: -47.602890
where:
bonds (distance) C4'-P energy: -9.779
bonds (distance) P-C4' energy: -10.877
flat angles C4'-P-C4' energy: -10.055
flat angles P-C4'-P energy: -6.788
tors. eta vs tors. theta energy: -10.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -134.644740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.644740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.644740 (E_RNA)
where:
Base-Base interactions energy: -89.112
where: short stacking energy: -41.871
Base-Backbone interact. energy: -0.005
local terms energy: -45.527431
where:
bonds (distance) C4'-P energy: -9.192
bonds (distance) P-C4' energy: -10.619
flat angles C4'-P-C4' energy: -7.479
flat angles P-C4'-P energy: -8.075
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: 6, replica: 3
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -137.167811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.167811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.167811 (E_RNA)
where:
Base-Base interactions energy: -91.949
where: short stacking energy: -42.960
Base-Backbone interact. energy: -0.722
local terms energy: -44.496241
where:
bonds (distance) C4'-P energy: -9.316
bonds (distance) P-C4' energy: -10.616
flat angles C4'-P-C4' energy: -9.942
flat angles P-C4'-P energy: -4.976
tors. eta vs tors. theta energy: -9.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -127.690272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.690272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.690272 (E_RNA)
where:
Base-Base interactions energy: -87.032
where: short stacking energy: -28.364
Base-Backbone interact. energy: -0.001
local terms energy: -40.657683
where:
bonds (distance) C4'-P energy: -8.302
bonds (distance) P-C4' energy: -9.076
flat angles C4'-P-C4' energy: -8.460
flat angles P-C4'-P energy: -7.121
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: 8, replica: 5
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -126.222157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.222157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.222157 (E_RNA)
where:
Base-Base interactions energy: -85.332
where: short stacking energy: -40.218
Base-Backbone interact. energy: -1.119
local terms energy: -39.771353
where:
bonds (distance) C4'-P energy: -5.417
bonds (distance) P-C4' energy: -8.988
flat angles C4'-P-C4' energy: -9.681
flat angles P-C4'-P energy: -6.036
tors. eta vs tors. theta energy: -9.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -69.195490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.195490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.195490 (E_RNA)
where:
Base-Base interactions energy: -31.686
where: short stacking energy: -31.686
Base-Backbone interact. energy: -0.000
local terms energy: -37.508966
where:
bonds (distance) C4'-P energy: -8.732
bonds (distance) P-C4' energy: -9.936
flat angles C4'-P-C4' energy: -6.891
flat angles P-C4'-P energy: -3.774
tors. eta vs tors. theta energy: -8.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -77.918096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.918096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.918096 (E_RNA)
where:
Base-Base interactions energy: -50.023
where: short stacking energy: -18.340
Base-Backbone interact. energy: -0.170
local terms energy: -27.725208
where:
bonds (distance) C4'-P energy: -3.562
bonds (distance) P-C4' energy: -9.303
flat angles C4'-P-C4' energy: -8.443
flat angles P-C4'-P energy: -4.257
tors. eta vs tors. theta energy: -2.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -141.827533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.827533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.827533 (E_RNA)
where:
Base-Base interactions energy: -96.270
where: short stacking energy: -48.646
Base-Backbone interact. energy: -0.003
local terms energy: -45.554410
where:
bonds (distance) C4'-P energy: -9.456
bonds (distance) P-C4' energy: -9.777
flat angles C4'-P-C4' energy: -10.312
flat angles P-C4'-P energy: -5.705
tors. eta vs tors. theta energy: -10.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -136.060740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.060740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.060740 (E_RNA)
where:
Base-Base interactions energy: -94.646
where: short stacking energy: -45.506
Base-Backbone interact. energy: -0.006
local terms energy: -41.408134
where:
bonds (distance) C4'-P energy: -9.618
bonds (distance) P-C4' energy: -9.757
flat angles C4'-P-C4' energy: -8.311
flat angles P-C4'-P energy: -5.819
tors. eta vs tors. theta energy: -7.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -127.353388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.353388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.353388 (E_RNA)
where:
Base-Base interactions energy: -92.037
where: short stacking energy: -44.196
Base-Backbone interact. energy: 1.081
local terms energy: -36.396720
where:
bonds (distance) C4'-P energy: -9.192
bonds (distance) P-C4' energy: -7.896
flat angles C4'-P-C4' energy: -6.560
flat angles P-C4'-P energy: -5.461
tors. eta vs tors. theta energy: -7.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -131.413302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.413302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.413302 (E_RNA)
where:
Base-Base interactions energy: -89.034
where: short stacking energy: -41.471
Base-Backbone interact. energy: 0.028
local terms energy: -42.407613
where:
bonds (distance) C4'-P energy: -10.524
bonds (distance) P-C4' energy: -6.554
flat angles C4'-P-C4' energy: -9.074
flat angles P-C4'-P energy: -7.399
tors. eta vs tors. theta energy: -8.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -131.646383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.646383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.646383 (E_RNA)
where:
Base-Base interactions energy: -93.994
where: short stacking energy: -42.274
Base-Backbone interact. energy: -1.397
local terms energy: -36.255658
where:
bonds (distance) C4'-P energy: -7.196
bonds (distance) P-C4' energy: -8.389
flat angles C4'-P-C4' energy: -6.223
flat angles P-C4'-P energy: -7.422
tors. eta vs tors. theta energy: -7.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -129.278926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.278926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.278926 (E_RNA)
where:
Base-Base interactions energy: -84.681
where: short stacking energy: -38.755
Base-Backbone interact. energy: 0.563
local terms energy: -45.160982
where:
bonds (distance) C4'-P energy: -7.461
bonds (distance) P-C4' energy: -9.034
flat angles C4'-P-C4' energy: -9.688
flat angles P-C4'-P energy: -8.612
tors. eta vs tors. theta energy: -10.366
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: 3
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -126.614530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.614530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.614530 (E_RNA)
where:
Base-Base interactions energy: -89.882
where: short stacking energy: -43.255
Base-Backbone interact. energy: -0.429
local terms energy: -36.303419
where:
bonds (distance) C4'-P energy: -4.584
bonds (distance) P-C4' energy: -6.933
flat angles C4'-P-C4' energy: -9.788
flat angles P-C4'-P energy: -4.770
tors. eta vs tors. theta energy: -10.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -129.270370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.270370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.270370 (E_RNA)
where:
Base-Base interactions energy: -86.236
where: short stacking energy: -39.966
Base-Backbone interact. energy: -0.365
local terms energy: -42.668862
where:
bonds (distance) C4'-P energy: -9.709
bonds (distance) P-C4' energy: -8.833
flat angles C4'-P-C4' energy: -8.288
flat angles P-C4'-P energy: -8.179
tors. eta vs tors. theta energy: -7.659
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: 2
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -72.352004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.352004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.352004 (E_RNA)
where:
Base-Base interactions energy: -33.557
where: short stacking energy: -33.557
Base-Backbone interact. energy: -0.000
local terms energy: -38.795235
where:
bonds (distance) C4'-P energy: -7.217
bonds (distance) P-C4' energy: -7.443
flat angles C4'-P-C4' energy: -8.918
flat angles P-C4'-P energy: -6.633
tors. eta vs tors. theta energy: -8.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -97.572342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.572342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.572342 (E_RNA)
where:
Base-Base interactions energy: -64.789
where: short stacking energy: -23.411
Base-Backbone interact. energy: -0.091
local terms energy: -32.692586
where:
bonds (distance) C4'-P energy: -6.216
bonds (distance) P-C4' energy: -8.277
flat angles C4'-P-C4' energy: -6.859
flat angles P-C4'-P energy: -6.797
tors. eta vs tors. theta energy: -4.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -138.963731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.963731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.963731 (E_RNA)
where:
Base-Base interactions energy: -94.039
where: short stacking energy: -44.110
Base-Backbone interact. energy: -0.010
local terms energy: -44.914178
where:
bonds (distance) C4'-P energy: -8.417
bonds (distance) P-C4' energy: -9.473
flat angles C4'-P-C4' energy: -10.163
flat angles P-C4'-P energy: -6.794
tors. eta vs tors. theta energy: -10.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -146.617753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.617753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.617753 (E_RNA)
where:
Base-Base interactions energy: -109.409
where: short stacking energy: -44.090
Base-Backbone interact. energy: -0.001
local terms energy: -37.208001
where:
bonds (distance) C4'-P energy: -8.890
bonds (distance) P-C4' energy: -11.360
flat angles C4'-P-C4' energy: -7.268
flat angles P-C4'-P energy: -1.542
tors. eta vs tors. theta energy: -8.147
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: 1
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -135.575250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.575250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.575250 (E_RNA)
where:
Base-Base interactions energy: -91.957
where: short stacking energy: -46.400
Base-Backbone interact. energy: -0.001
local terms energy: -43.617052
where:
bonds (distance) C4'-P energy: -8.968
bonds (distance) P-C4' energy: -10.122
flat angles C4'-P-C4' energy: -8.576
flat angles P-C4'-P energy: -5.428
tors. eta vs tors. theta energy: -10.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -131.808226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.808226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.808226 (E_RNA)
where:
Base-Base interactions energy: -93.218
where: short stacking energy: -35.574
Base-Backbone interact. energy: -0.006
local terms energy: -38.584741
where:
bonds (distance) C4'-P energy: -8.720
bonds (distance) P-C4' energy: -8.848
flat angles C4'-P-C4' energy: -7.646
flat angles P-C4'-P energy: -3.611
tors. eta vs tors. theta energy: -9.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -137.139374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.139374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.139374 (E_RNA)
where:
Base-Base interactions energy: -96.171
where: short stacking energy: -45.689
Base-Backbone interact. energy: -1.691
local terms energy: -39.277499
where:
bonds (distance) C4'-P energy: -8.012
bonds (distance) P-C4' energy: -8.752
flat angles C4'-P-C4' energy: -6.048
flat angles P-C4'-P energy: -8.008
tors. eta vs tors. theta energy: -8.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -129.097902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.097902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.097902 (E_RNA)
where:
Base-Base interactions energy: -91.697
where: short stacking energy: -40.437
Base-Backbone interact. energy: -0.051
local terms energy: -37.350069
where:
bonds (distance) C4'-P energy: -7.726
bonds (distance) P-C4' energy: -6.689
flat angles C4'-P-C4' energy: -9.506
flat angles P-C4'-P energy: -3.776
tors. eta vs tors. theta energy: -9.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -123.185202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.185202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.185202 (E_RNA)
where:
Base-Base interactions energy: -91.056
where: short stacking energy: -36.936
Base-Backbone interact. energy: -0.136
local terms energy: -31.992917
where:
bonds (distance) C4'-P energy: -8.687
bonds (distance) P-C4' energy: -9.052
flat angles C4'-P-C4' energy: -8.460
flat angles P-C4'-P energy: -0.944
tors. eta vs tors. theta energy: -4.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -134.912203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.912203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.912203 (E_RNA)
where:
Base-Base interactions energy: -96.489
where: short stacking energy: -39.082
Base-Backbone interact. energy: -0.132
local terms energy: -38.291647
where:
bonds (distance) C4'-P energy: -6.617
bonds (distance) P-C4' energy: -8.383
flat angles C4'-P-C4' energy: -7.791
flat angles P-C4'-P energy: -6.609
tors. eta vs tors. theta energy: -8.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -66.270530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.270530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.270530 (E_RNA)
where:
Base-Base interactions energy: -35.759
where: short stacking energy: -23.737
Base-Backbone interact. energy: -0.097
local terms energy: -30.413687
where:
bonds (distance) C4'-P energy: -7.462
bonds (distance) P-C4' energy: -8.820
flat angles C4'-P-C4' energy: -7.991
flat angles P-C4'-P energy: -4.428
tors. eta vs tors. theta energy: -1.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -66.575955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.575955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.575955 (E_RNA)
where:
Base-Base interactions energy: -35.916
where: short stacking energy: -24.133
Base-Backbone interact. energy: -0.014
local terms energy: -30.645369
where:
bonds (distance) C4'-P energy: -2.696
bonds (distance) P-C4' energy: -9.619
flat angles C4'-P-C4' energy: -9.820
flat angles P-C4'-P energy: -6.636
tors. eta vs tors. theta energy: -1.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -146.142529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.142529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.142529 (E_RNA)
where:
Base-Base interactions energy: -108.767
where: short stacking energy: -42.695
Base-Backbone interact. energy: -0.003
local terms energy: -37.372331
where:
bonds (distance) C4'-P energy: -10.508
bonds (distance) P-C4' energy: -7.984
flat angles C4'-P-C4' energy: -10.897
flat angles P-C4'-P energy: -1.641
tors. eta vs tors. theta energy: -6.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -137.378367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.378367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.378367 (E_RNA)
where:
Base-Base interactions energy: -91.958
where: short stacking energy: -44.736
Base-Backbone interact. energy: -0.004
local terms energy: -45.416258
where:
bonds (distance) C4'-P energy: -10.082
bonds (distance) P-C4' energy: -8.830
flat angles C4'-P-C4' energy: -10.766
flat angles P-C4'-P energy: -6.889
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: 3, replica: 9
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -138.433504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.433504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.433504 (E_RNA)
where:
Base-Base interactions energy: -92.936
where: short stacking energy: -43.317
Base-Backbone interact. energy: -0.093
local terms energy: -45.404971
where:
bonds (distance) C4'-P energy: -8.040
bonds (distance) P-C4' energy: -10.877
flat angles C4'-P-C4' energy: -8.507
flat angles P-C4'-P energy: -6.344
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: 373
Temperature: 1.050000
Total energy: -137.479688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.479688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.479688 (E_RNA)
where:
Base-Base interactions energy: -94.375
where: short stacking energy: -37.415
Base-Backbone interact. energy: -1.276
local terms energy: -41.829038
where:
bonds (distance) C4'-P energy: -8.260
bonds (distance) P-C4' energy: -10.172
flat angles C4'-P-C4' energy: -6.504
flat angles P-C4'-P energy: -6.775
tors. eta vs tors. theta energy: -10.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -130.599678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.599678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.599678 (E_RNA)
where:
Base-Base interactions energy: -91.887
where: short stacking energy: -36.125
Base-Backbone interact. energy: -0.014
local terms energy: -38.698419
where:
bonds (distance) C4'-P energy: -5.652
bonds (distance) P-C4' energy: -9.799
flat angles C4'-P-C4' energy: -8.661
flat angles P-C4'-P energy: -6.217
tors. eta vs tors. theta energy: -8.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -132.209877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.209877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.209877 (E_RNA)
where:
Base-Base interactions energy: -91.613
where: short stacking energy: -43.179
Base-Backbone interact. energy: -0.016
local terms energy: -40.580346
where:
bonds (distance) C4'-P energy: -8.516
bonds (distance) P-C4' energy: -6.695
flat angles C4'-P-C4' energy: -8.998
flat angles P-C4'-P energy: -5.507
tors. eta vs tors. theta energy: -10.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -125.506103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.506103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.506103 (E_RNA)
where:
Base-Base interactions energy: -87.736
where: short stacking energy: -39.980
Base-Backbone interact. energy: -0.528
local terms energy: -37.242572
where:
bonds (distance) C4'-P energy: -5.999
bonds (distance) P-C4' energy: -7.662
flat angles C4'-P-C4' energy: -8.195
flat angles P-C4'-P energy: -6.002
tors. eta vs tors. theta energy: -9.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -132.852447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.852447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.852447 (E_RNA)
where:
Base-Base interactions energy: -99.164
where: short stacking energy: -38.749
Base-Backbone interact. energy: -0.159
local terms energy: -33.529071
where:
bonds (distance) C4'-P energy: -7.308
bonds (distance) P-C4' energy: -8.823
flat angles C4'-P-C4' energy: -7.757
flat angles P-C4'-P energy: -1.439
tors. eta vs tors. theta energy: -8.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -65.412370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.412370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.412370 (E_RNA)
where:
Base-Base interactions energy: -36.029
where: short stacking energy: -26.078
Base-Backbone interact. energy: -0.317
local terms energy: -29.066969
where:
bonds (distance) C4'-P energy: -8.856
bonds (distance) P-C4' energy: -7.880
flat angles C4'-P-C4' energy: -4.416
flat angles P-C4'-P energy: -5.617
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: 10, replica: 2
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -55.006875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.006875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.006875 (E_RNA)
where:
Base-Base interactions energy: -24.247
where: short stacking energy: -24.247
Base-Backbone interact. energy: -0.077
local terms energy: -30.682974
where:
bonds (distance) C4'-P energy: -7.983
bonds (distance) P-C4' energy: -9.664
flat angles C4'-P-C4' energy: -6.685
flat angles P-C4'-P energy: -3.808
tors. eta vs tors. theta energy: -2.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -138.368437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.368437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.368437 (E_RNA)
where:
Base-Base interactions energy: -92.493
where: short stacking energy: -45.380
Base-Backbone interact. energy: -0.008
local terms energy: -45.868075
where:
bonds (distance) C4'-P energy: -9.183
bonds (distance) P-C4' energy: -9.215
flat angles C4'-P-C4' energy: -10.478
flat angles P-C4'-P energy: -8.210
tors. eta vs tors. theta energy: -8.782
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: 8
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -147.717739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.717739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.717739 (E_RNA)
where:
Base-Base interactions energy: -111.407
where: short stacking energy: -42.951
Base-Backbone interact. energy: -0.006
local terms energy: -36.305528
where:
bonds (distance) C4'-P energy: -6.795
bonds (distance) P-C4' energy: -9.355
flat angles C4'-P-C4' energy: -8.427
flat angles P-C4'-P energy: -3.684
tors. eta vs tors. theta energy: -8.044
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: 4
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -142.583115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.583115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.583115 (E_RNA)
where:
Base-Base interactions energy: -96.481
where: short stacking energy: -45.119
Base-Backbone interact. energy: -0.579
local terms energy: -45.523059
where:
bonds (distance) C4'-P energy: -9.850
bonds (distance) P-C4' energy: -10.426
flat angles C4'-P-C4' energy: -7.853
flat angles P-C4'-P energy: -7.814
tors. eta vs tors. theta energy: -9.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -136.795425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.795425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.795425 (E_RNA)
where:
Base-Base interactions energy: -92.236
where: short stacking energy: -43.243
Base-Backbone interact. energy: -1.682
local terms energy: -42.877458
where:
bonds (distance) C4'-P energy: -9.875
bonds (distance) P-C4' energy: -7.206
flat angles C4'-P-C4' energy: -9.710
flat angles P-C4'-P energy: -6.517
tors. eta vs tors. theta energy: -9.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -135.646451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.646451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.646451 (E_RNA)
where:
Base-Base interactions energy: -101.003
where: short stacking energy: -38.137
Base-Backbone interact. energy: -0.044
local terms energy: -34.599140
where:
bonds (distance) C4'-P energy: -4.534
bonds (distance) P-C4' energy: -9.123
flat angles C4'-P-C4' energy: -9.255
flat angles P-C4'-P energy: -2.523
tors. eta vs tors. theta energy: -9.164
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: 7
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -130.822789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.822789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.822789 (E_RNA)
where:
Base-Base interactions energy: -89.456
where: short stacking energy: -39.720
Base-Backbone interact. energy: 0.599
local terms energy: -41.965969
where:
bonds (distance) C4'-P energy: -8.124
bonds (distance) P-C4' energy: -9.249
flat angles C4'-P-C4' energy: -8.390
flat angles P-C4'-P energy: -7.277
tors. eta vs tors. theta energy: -8.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -129.402672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.402672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.402672 (E_RNA)
where:
Base-Base interactions energy: -87.387
where: short stacking energy: -39.952
Base-Backbone interact. energy: -0.001
local terms energy: -42.013915
where:
bonds (distance) C4'-P energy: -7.524
bonds (distance) P-C4' energy: -8.622
flat angles C4'-P-C4' energy: -10.309
flat angles P-C4'-P energy: -5.611
tors. eta vs tors. theta energy: -9.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -130.013636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.013636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.013636 (E_RNA)
where:
Base-Base interactions energy: -84.595
where: short stacking energy: -36.042
Base-Backbone interact. energy: -0.081
local terms energy: -45.337312
where:
bonds (distance) C4'-P energy: -10.036
bonds (distance) P-C4' energy: -9.453
flat angles C4'-P-C4' energy: -10.883
flat angles P-C4'-P energy: -3.997
tors. eta vs tors. theta energy: -10.968
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: 2
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -62.465078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.465078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.465078 (E_RNA)
where:
Base-Base interactions energy: -35.840
where: short stacking energy: -23.844
Base-Backbone interact. energy: -0.123
local terms energy: -26.501437
where:
bonds (distance) C4'-P energy: -3.507
bonds (distance) P-C4' energy: -8.823
flat angles C4'-P-C4' energy: -7.674
flat angles P-C4'-P energy: -2.080
tors. eta vs tors. theta energy: -4.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -57.288045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.288045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.288045 (E_RNA)
where:
Base-Base interactions energy: -22.999
where: short stacking energy: -18.897
Base-Backbone interact. energy: -0.063
local terms energy: -34.226553
where:
bonds (distance) C4'-P energy: -7.834
bonds (distance) P-C4' energy: -9.929
flat angles C4'-P-C4' energy: -8.827
flat angles P-C4'-P energy: -5.459
tors. eta vs tors. theta energy: -2.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -138.401249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.401249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.401249 (E_RNA)
where:
Base-Base interactions energy: -96.419
where: short stacking energy: -33.230
Base-Backbone interact. energy: -0.020
local terms energy: -41.962116
where:
bonds (distance) C4'-P energy: -7.487
bonds (distance) P-C4' energy: -10.444
flat angles C4'-P-C4' energy: -9.463
flat angles P-C4'-P energy: -5.714
tors. eta vs tors. theta energy: -8.854
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: 2, replica: 4
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -138.396438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.396438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.396438 (E_RNA)
where:
Base-Base interactions energy: -95.682
where: short stacking energy: -45.736
Base-Backbone interact. energy: -0.615
local terms energy: -42.099552
where:
bonds (distance) C4'-P energy: -8.472
bonds (distance) P-C4' energy: -5.680
flat angles C4'-P-C4' energy: -9.749
flat angles P-C4'-P energy: -7.839
tors. eta vs tors. theta energy: -10.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -145.085543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.085543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.085543 (E_RNA)
where:
Base-Base interactions energy: -109.138
where: short stacking energy: -42.146
Base-Backbone interact. energy: -0.494
local terms energy: -35.453683
where:
bonds (distance) C4'-P energy: -9.644
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -6.844
flat angles P-C4'-P energy: -3.618
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: 4, replica: 10
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -129.320187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.320187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.320187 (E_RNA)
where:
Base-Base interactions energy: -86.105
where: short stacking energy: -39.614
Base-Backbone interact. energy: -0.285
local terms energy: -42.929879
where:
bonds (distance) C4'-P energy: -8.935
bonds (distance) P-C4' energy: -7.857
flat angles C4'-P-C4' energy: -10.056
flat angles P-C4'-P energy: -5.598
tors. eta vs tors. theta energy: -10.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -131.189671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.189671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.189671 (E_RNA)
where:
Base-Base interactions energy: -92.289
where: short stacking energy: -45.764
Base-Backbone interact. energy: -0.270
local terms energy: -38.631300
where:
bonds (distance) C4'-P energy: -5.734
bonds (distance) P-C4' energy: -9.573
flat angles C4'-P-C4' energy: -6.964
flat angles P-C4'-P energy: -7.577
tors. eta vs tors. theta energy: -8.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -131.945314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.945314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.945314 (E_RNA)
where:
Base-Base interactions energy: -89.099
where: short stacking energy: -38.749
Base-Backbone interact. energy: -0.739
local terms energy: -42.106969
where:
bonds (distance) C4'-P energy: -8.993
bonds (distance) P-C4' energy: -6.320
flat angles C4'-P-C4' energy: -9.534
flat angles P-C4'-P energy: -7.596
tors. eta vs tors. theta energy: -9.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -129.318841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.318841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.318841 (E_RNA)
where:
Base-Base interactions energy: -88.841
where: short stacking energy: -41.262
Base-Backbone interact. energy: -0.568
local terms energy: -39.909891
where:
bonds (distance) C4'-P energy: -6.232
bonds (distance) P-C4' energy: -7.319
flat angles C4'-P-C4' energy: -10.686
flat angles P-C4'-P energy: -4.394
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: 8, replica: 5
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -122.928715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.928715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.928715 (E_RNA)
where:
Base-Base interactions energy: -84.564
where: short stacking energy: -32.957
Base-Backbone interact. energy: -0.305
local terms energy: -38.059076
where:
bonds (distance) C4'-P energy: -10.285
bonds (distance) P-C4' energy: -9.588
flat angles C4'-P-C4' energy: -8.556
flat angles P-C4'-P energy: -5.036
tors. eta vs tors. theta energy: -4.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -61.979175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.979175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.979175 (E_RNA)
where:
Base-Base interactions energy: -29.160
where: short stacking energy: -22.830
Base-Backbone interact. energy: -0.006
local terms energy: -32.813038
where:
bonds (distance) C4'-P energy: -9.155
bonds (distance) P-C4' energy: -8.883
flat angles C4'-P-C4' energy: -6.497
flat angles P-C4'-P energy: -4.656
tors. eta vs tors. theta energy: -3.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -52.576338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.576338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.576338 (E_RNA)
where:
Base-Base interactions energy: -20.249
where: short stacking energy: -20.249
Base-Backbone interact. energy: -0.843
local terms energy: -31.484011
where:
bonds (distance) C4'-P energy: -10.098
bonds (distance) P-C4' energy: -6.978
flat angles C4'-P-C4' energy: -6.926
flat angles P-C4'-P energy: -6.952
tors. eta vs tors. theta energy: -0.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -139.196084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.196084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.196084 (E_RNA)
where:
Base-Base interactions energy: -98.546
where: short stacking energy: -41.339
Base-Backbone interact. energy: -0.014
local terms energy: -40.636095
where:
bonds (distance) C4'-P energy: -8.062
bonds (distance) P-C4' energy: -10.855
flat angles C4'-P-C4' energy: -8.569
flat angles P-C4'-P energy: -4.630
tors. eta vs tors. theta energy: -8.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -136.829091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.829091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.829091 (E_RNA)
where:
Base-Base interactions energy: -93.962
where: short stacking energy: -38.526
Base-Backbone interact. energy: -0.067
local terms energy: -42.800163
where:
bonds (distance) C4'-P energy: -9.064
bonds (distance) P-C4' energy: -9.650
flat angles C4'-P-C4' energy: -10.219
flat angles P-C4'-P energy: -5.797
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: 3, replica: 10
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -138.548364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.548364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.548364 (E_RNA)
where:
Base-Base interactions energy: -96.495
where: short stacking energy: -46.270
Base-Backbone interact. energy: -0.349
local terms energy: -41.704326
where:
bonds (distance) C4'-P energy: -7.904
bonds (distance) P-C4' energy: -9.877
flat angles C4'-P-C4' energy: -8.698
flat angles P-C4'-P energy: -6.881
tors. eta vs tors. theta energy: -8.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -138.347678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.347678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.347678 (E_RNA)
where:
Base-Base interactions energy: -99.250
where: short stacking energy: -41.057
Base-Backbone interact. energy: -0.111
local terms energy: -38.987090
where:
bonds (distance) C4'-P energy: -8.103
bonds (distance) P-C4' energy: -8.134
flat angles C4'-P-C4' energy: -8.588
flat angles P-C4'-P energy: -5.668
tors. eta vs tors. theta energy: -8.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -134.580817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.580817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.580817 (E_RNA)
where:
Base-Base interactions energy: -91.357
where: short stacking energy: -41.741
Base-Backbone interact. energy: -0.010
local terms energy: -43.214040
where:
bonds (distance) C4'-P energy: -8.864
bonds (distance) P-C4' energy: -10.870
flat angles C4'-P-C4' energy: -8.416
flat angles P-C4'-P energy: -5.740
tors. eta vs tors. theta energy: -9.323
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: 6, replica: 9
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -126.712995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.712995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.712995 (E_RNA)
where:
Base-Base interactions energy: -86.772
where: short stacking energy: -38.978
Base-Backbone interact. energy: -0.067
local terms energy: -39.873929
where:
bonds (distance) C4'-P energy: -9.280
bonds (distance) P-C4' energy: -9.954
flat angles C4'-P-C4' energy: -5.914
flat angles P-C4'-P energy: -8.106
tors. eta vs tors. theta energy: -6.620
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: 3
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -131.486131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.486131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.486131 (E_RNA)
where:
Base-Base interactions energy: -88.798
where: short stacking energy: -40.527
Base-Backbone interact. energy: -0.733
local terms energy: -41.955001
where:
bonds (distance) C4'-P energy: -7.871
bonds (distance) P-C4' energy: -8.221
flat angles C4'-P-C4' energy: -9.437
flat angles P-C4'-P energy: -6.126
tors. eta vs tors. theta energy: -10.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -123.637610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.637610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.637610 (E_RNA)
where:
Base-Base interactions energy: -88.232
where: short stacking energy: -43.134
Base-Backbone interact. energy: -0.771
local terms energy: -34.633888
where:
bonds (distance) C4'-P energy: -5.892
bonds (distance) P-C4' energy: -8.361
flat angles C4'-P-C4' energy: -5.852
flat angles P-C4'-P energy: -4.451
tors. eta vs tors. theta energy: -10.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -65.410028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.410028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.410028 (E_RNA)
where:
Base-Base interactions energy: -31.416
where: short stacking energy: -28.348
Base-Backbone interact. energy: -0.020
local terms energy: -33.974361
where:
bonds (distance) C4'-P energy: -9.094
bonds (distance) P-C4' energy: -7.730
flat angles C4'-P-C4' energy: -8.048
flat angles P-C4'-P energy: -4.731
tors. eta vs tors. theta energy: -4.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -63.961944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.961944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.961944 (E_RNA)
where:
Base-Base interactions energy: -31.789
where: short stacking energy: -19.011
Base-Backbone interact. energy: -0.036
local terms energy: -32.137292
where:
bonds (distance) C4'-P energy: -4.041
bonds (distance) P-C4' energy: -10.223
flat angles C4'-P-C4' energy: -7.691
flat angles P-C4'-P energy: -4.610
tors. eta vs tors. theta energy: -5.573
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: 4
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -141.464405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.464405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.464405 (E_RNA)
where:
Base-Base interactions energy: -99.239
where: short stacking energy: -46.893
Base-Backbone interact. energy: -1.419
local terms energy: -40.806178
where:
bonds (distance) C4'-P energy: -7.528
bonds (distance) P-C4' energy: -7.181
flat angles C4'-P-C4' energy: -9.262
flat angles P-C4'-P energy: -8.495
tors. eta vs tors. theta energy: -8.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -135.435472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.435472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.435472 (E_RNA)
where:
Base-Base interactions energy: -89.438
where: short stacking energy: -43.574
Base-Backbone interact. energy: -0.003
local terms energy: -45.994352
where:
bonds (distance) C4'-P energy: -7.601
bonds (distance) P-C4' energy: -10.672
flat angles C4'-P-C4' energy: -10.091
flat angles P-C4'-P energy: -6.705
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: 3, replica: 10
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -137.332106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.332106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.332106 (E_RNA)
where:
Base-Base interactions energy: -97.651
where: short stacking energy: -46.758
Base-Backbone interact. energy: 0.200
local terms energy: -39.881480
where:
bonds (distance) C4'-P energy: -7.760
bonds (distance) P-C4' energy: -8.893
flat angles C4'-P-C4' energy: -8.071
flat angles P-C4'-P energy: -6.194
tors. eta vs tors. theta energy: -8.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -138.311848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.311848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.311848 (E_RNA)
where:
Base-Base interactions energy: -99.476
where: short stacking energy: -40.546
Base-Backbone interact. energy: -0.003
local terms energy: -38.832915
where:
bonds (distance) C4'-P energy: -8.694
bonds (distance) P-C4' energy: -9.922
flat angles C4'-P-C4' energy: -6.689
flat angles P-C4'-P energy: -2.139
tors. eta vs tors. theta energy: -11.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -134.882931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.882931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.882931 (E_RNA)
where:
Base-Base interactions energy: -91.398
where: short stacking energy: -39.546
Base-Backbone interact. energy: -0.790
local terms energy: -42.695208
where:
bonds (distance) C4'-P energy: -9.382
bonds (distance) P-C4' energy: -8.178
flat angles C4'-P-C4' energy: -8.970
flat angles P-C4'-P energy: -7.024
tors. eta vs tors. theta energy: -9.142
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: 6, replica: 3
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -129.009428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.009428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.009428 (E_RNA)
where:
Base-Base interactions energy: -94.049
where: short stacking energy: -43.045
Base-Backbone interact. energy: -0.009
local terms energy: -34.952030
where:
bonds (distance) C4'-P energy: -9.485
bonds (distance) P-C4' energy: -6.512
flat angles C4'-P-C4' energy: -7.463
flat angles P-C4'-P energy: -3.944
tors. eta vs tors. theta energy: -7.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -129.577735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.577735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.577735 (E_RNA)
where:
Base-Base interactions energy: -89.024
where: short stacking energy: -43.980
Base-Backbone interact. energy: -1.308
local terms energy: -39.246048
where:
bonds (distance) C4'-P energy: -6.556
bonds (distance) P-C4' energy: -8.005
flat angles C4'-P-C4' energy: -9.263
flat angles P-C4'-P energy: -8.014
tors. eta vs tors. theta energy: -7.409
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: 5
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -128.462875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.462875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.462875 (E_RNA)
where:
Base-Base interactions energy: -92.053
where: short stacking energy: -41.988
Base-Backbone interact. energy: -0.001
local terms energy: -36.408856
where:
bonds (distance) C4'-P energy: -9.358
bonds (distance) P-C4' energy: -6.032
flat angles C4'-P-C4' energy: -8.004
flat angles P-C4'-P energy: -4.062
tors. eta vs tors. theta energy: -8.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -60.605272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.605272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.605272 (E_RNA)
where:
Base-Base interactions energy: -25.209
where: short stacking energy: -25.209
Base-Backbone interact. energy: -0.030
local terms energy: -35.365844
where:
bonds (distance) C4'-P energy: -6.356
bonds (distance) P-C4' energy: -9.386
flat angles C4'-P-C4' energy: -8.223
flat angles P-C4'-P energy: -6.510
tors. eta vs tors. theta energy: -4.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -65.703591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.703591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.703591 (E_RNA)
where:
Base-Base interactions energy: -42.846
where: short stacking energy: -11.414
Base-Backbone interact. energy: -0.304
local terms energy: -22.553378
where:
bonds (distance) C4'-P energy: -6.953
bonds (distance) P-C4' energy: -10.165
flat angles C4'-P-C4' energy: -8.649
flat angles P-C4'-P energy: 0.199
tors. eta vs tors. theta energy: 3.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -139.394542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.394542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.394542 (E_RNA)
where:
Base-Base interactions energy: -93.489
where: short stacking energy: -45.957
Base-Backbone interact. energy: -2.098
local terms energy: -43.808213
where:
bonds (distance) C4'-P energy: -9.424
bonds (distance) P-C4' energy: -8.920
flat angles C4'-P-C4' energy: -7.491
flat angles P-C4'-P energy: -6.711
tors. eta vs tors. theta energy: -11.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -137.014501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.014501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.014501 (E_RNA)
where:
Base-Base interactions energy: -98.339
where: short stacking energy: -38.436
Base-Backbone interact. energy: -0.031
local terms energy: -38.644492
where:
bonds (distance) C4'-P energy: -8.323
bonds (distance) P-C4' energy: -10.168
flat angles C4'-P-C4' energy: -8.682
flat angles P-C4'-P energy: -5.943
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: 3, replica: 10
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -139.776626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.776626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.776626 (E_RNA)
where:
Base-Base interactions energy: -93.051
where: short stacking energy: -44.229
Base-Backbone interact. energy: -0.499
local terms energy: -46.226819
where:
bonds (distance) C4'-P energy: -7.391
bonds (distance) P-C4' energy: -10.637
flat angles C4'-P-C4' energy: -11.449
flat angles P-C4'-P energy: -7.838
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: 4, replica: 7
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -132.268958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.268958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.268958 (E_RNA)
where:
Base-Base interactions energy: -92.221
where: short stacking energy: -40.603
Base-Backbone interact. energy: -0.004
local terms energy: -40.043812
where:
bonds (distance) C4'-P energy: -8.687
bonds (distance) P-C4' energy: -10.448
flat angles C4'-P-C4' energy: -6.466
flat angles P-C4'-P energy: -6.165
tors. eta vs tors. theta energy: -8.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -133.200691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.200691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.200691 (E_RNA)
where:
Base-Base interactions energy: -92.130
where: short stacking energy: -41.774
Base-Backbone interact. energy: -0.360
local terms energy: -40.710462
where:
bonds (distance) C4'-P energy: -7.798
bonds (distance) P-C4' energy: -9.500
flat angles C4'-P-C4' energy: -10.166
flat angles P-C4'-P energy: -3.549
tors. eta vs tors. theta energy: -9.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -126.011118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.011118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.011118 (E_RNA)
where:
Base-Base interactions energy: -82.248
where: short stacking energy: -36.055
Base-Backbone interact. energy: -2.256
local terms energy: -41.506924
where:
bonds (distance) C4'-P energy: -8.439
bonds (distance) P-C4' energy: -9.414
flat angles C4'-P-C4' energy: -9.308
flat angles P-C4'-P energy: -6.051
tors. eta vs tors. theta energy: -8.294
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: 5
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -126.813377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.813377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.813377 (E_RNA)
where:
Base-Base interactions energy: -93.322
where: short stacking energy: -31.909
Base-Backbone interact. energy: -0.352
local terms energy: -33.139712
where:
bonds (distance) C4'-P energy: -7.893
bonds (distance) P-C4' energy: -7.579
flat angles C4'-P-C4' energy: -6.966
flat angles P-C4'-P energy: -3.416
tors. eta vs tors. theta energy: -7.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -131.288463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.288463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.288463 (E_RNA)
where:
Base-Base interactions energy: -99.982
where: short stacking energy: -37.437
Base-Backbone interact. energy: -0.190
local terms energy: -31.116697
where:
bonds (distance) C4'-P energy: -6.323
bonds (distance) P-C4' energy: -8.911
flat angles C4'-P-C4' energy: -6.690
flat angles P-C4'-P energy: -2.619
tors. eta vs tors. theta energy: -6.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -59.964403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.964403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.964403 (E_RNA)
where:
Base-Base interactions energy: -28.689
where: short stacking energy: -28.689
Base-Backbone interact. energy: -0.066
local terms energy: -31.209008
where:
bonds (distance) C4'-P energy: -9.556
bonds (distance) P-C4' energy: -6.741
flat angles C4'-P-C4' energy: -6.878
flat angles P-C4'-P energy: -7.006
tors. eta vs tors. theta energy: -1.028
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: 10, replica: 6
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -56.672762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.672762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.672762 (E_RNA)
where:
Base-Base interactions energy: -24.347
where: short stacking energy: -24.347
Base-Backbone interact. energy: -0.685
local terms energy: -31.640127
where:
bonds (distance) C4'-P energy: -6.972
bonds (distance) P-C4' energy: -5.660
flat angles C4'-P-C4' energy: -9.097
flat angles P-C4'-P energy: -6.744
tors. eta vs tors. theta energy: -3.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -145.566916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.566916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.566916 (E_RNA)
where:
Base-Base interactions energy: -98.241
where: short stacking energy: -47.505
Base-Backbone interact. energy: 0.630
local terms energy: -47.955793
where:
bonds (distance) C4'-P energy: -8.720
bonds (distance) P-C4' energy: -10.870
flat angles C4'-P-C4' energy: -8.618
flat angles P-C4'-P energy: -9.121
tors. eta vs tors. theta energy: -10.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -141.074814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.074814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.074814 (E_RNA)
where:
Base-Base interactions energy: -95.939
where: short stacking energy: -44.207
Base-Backbone interact. energy: -0.000
local terms energy: -45.135819
where:
bonds (distance) C4'-P energy: -10.090
bonds (distance) P-C4' energy: -11.128
flat angles C4'-P-C4' energy: -8.962
flat angles P-C4'-P energy: -4.615
tors. eta vs tors. theta energy: -10.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -139.500254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.500254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.500254 (E_RNA)
where:
Base-Base interactions energy: -89.665
where: short stacking energy: -43.452
Base-Backbone interact. energy: -0.002
local terms energy: -49.834182
where:
bonds (distance) C4'-P energy: -9.412
bonds (distance) P-C4' energy: -11.096
flat angles C4'-P-C4' energy: -10.111
flat angles P-C4'-P energy: -8.489
tors. eta vs tors. theta energy: -10.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -132.193531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.193531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.193531 (E_RNA)
where:
Base-Base interactions energy: -90.051
where: short stacking energy: -38.153
Base-Backbone interact. energy: -0.122
local terms energy: -42.020418
where:
bonds (distance) C4'-P energy: -9.159
bonds (distance) P-C4' energy: -8.610
flat angles C4'-P-C4' energy: -8.419
flat angles P-C4'-P energy: -4.545
tors. eta vs tors. theta energy: -11.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -138.763226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.763226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.763226 (E_RNA)
where:
Base-Base interactions energy: -92.693
where: short stacking energy: -42.793
Base-Backbone interact. energy: -1.012
local terms energy: -45.058073
where:
bonds (distance) C4'-P energy: -9.280
bonds (distance) P-C4' energy: -7.824
flat angles C4'-P-C4' energy: -10.843
flat angles P-C4'-P energy: -7.586
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: 6, replica: 5
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -136.055053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.055053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.055053 (E_RNA)
where:
Base-Base interactions energy: -96.825
where: short stacking energy: -38.505
Base-Backbone interact. energy: -0.001
local terms energy: -39.229427
where:
bonds (distance) C4'-P energy: -8.919
bonds (distance) P-C4' energy: -8.555
flat angles C4'-P-C4' energy: -9.787
flat angles P-C4'-P energy: -2.866
tors. eta vs tors. theta energy: -9.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -127.472466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.472466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.472466 (E_RNA)
where:
Base-Base interactions energy: -92.632
where: short stacking energy: -41.484
Base-Backbone interact. energy: -0.012
local terms energy: -34.828010
where:
bonds (distance) C4'-P energy: -7.743
bonds (distance) P-C4' energy: -8.045
flat angles C4'-P-C4' energy: -7.890
flat angles P-C4'-P energy: -2.744
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: 8, replica: 9
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -120.161604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.161604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.161604 (E_RNA)
where:
Base-Base interactions energy: -81.191
where: short stacking energy: -31.065
Base-Backbone interact. energy: -0.319
local terms energy: -38.652099
where:
bonds (distance) C4'-P energy: -8.177
bonds (distance) P-C4' energy: -10.137
flat angles C4'-P-C4' energy: -6.512
flat angles P-C4'-P energy: -7.417
tors. eta vs tors. theta energy: -6.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -69.729704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.729704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.729704 (E_RNA)
where:
Base-Base interactions energy: -34.758
where: short stacking energy: -34.705
Base-Backbone interact. energy: -0.102
local terms energy: -34.869501
where:
bonds (distance) C4'-P energy: -7.763
bonds (distance) P-C4' energy: -10.361
flat angles C4'-P-C4' energy: -7.318
flat angles P-C4'-P energy: -2.037
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: 10, replica: 6
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -62.617199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.617199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.617199 (E_RNA)
where:
Base-Base interactions energy: -28.111
where: short stacking energy: -25.544
Base-Backbone interact. energy: -0.009
local terms energy: -34.497426
where:
bonds (distance) C4'-P energy: -8.873
bonds (distance) P-C4' energy: -8.315
flat angles C4'-P-C4' energy: -8.249
flat angles P-C4'-P energy: -2.574
tors. eta vs tors. theta energy: -6.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -141.427548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.427548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.427548 (E_RNA)
where:
Base-Base interactions energy: -99.682
where: short stacking energy: -47.033
Base-Backbone interact. energy: -0.559
local terms energy: -41.187088
where:
bonds (distance) C4'-P energy: -8.049
bonds (distance) P-C4' energy: -8.880
flat angles C4'-P-C4' energy: -9.287
flat angles P-C4'-P energy: -4.832
tors. eta vs tors. theta energy: -10.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -136.933187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.933187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.933187 (E_RNA)
where:
Base-Base interactions energy: -94.622
where: short stacking energy: -44.291
Base-Backbone interact. energy: -1.788
local terms energy: -40.523492
where:
bonds (distance) C4'-P energy: -7.329
bonds (distance) P-C4' energy: -6.181
flat angles C4'-P-C4' energy: -9.111
flat angles P-C4'-P energy: -7.979
tors. eta vs tors. theta energy: -9.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -138.821124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.821124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.821124 (E_RNA)
where:
Base-Base interactions energy: -92.618
where: short stacking energy: -45.865
Base-Backbone interact. energy: 0.082
local terms energy: -46.284913
where:
bonds (distance) C4'-P energy: -9.838
bonds (distance) P-C4' energy: -9.355
flat angles C4'-P-C4' energy: -9.948
flat angles P-C4'-P energy: -8.129
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: 4, replica: 1
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -135.701824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.701824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.701824 (E_RNA)
where:
Base-Base interactions energy: -91.743
where: short stacking energy: -40.943
Base-Backbone interact. energy: -0.000
local terms energy: -43.958838
where:
bonds (distance) C4'-P energy: -9.477
bonds (distance) P-C4' energy: -10.444
flat angles C4'-P-C4' energy: -9.135
flat angles P-C4'-P energy: -5.929
tors. eta vs tors. theta energy: -8.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -138.508707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.508707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.508707 (E_RNA)
where:
Base-Base interactions energy: -96.104
where: short stacking energy: -43.367
Base-Backbone interact. energy: -0.265
local terms energy: -42.139655
where:
bonds (distance) C4'-P energy: -8.640
bonds (distance) P-C4' energy: -8.495
flat angles C4'-P-C4' energy: -10.015
flat angles P-C4'-P energy: -5.905
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: 6, replica: 5
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -135.487490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.487490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.487490 (E_RNA)
where:
Base-Base interactions energy: -92.552
where: short stacking energy: -43.881
Base-Backbone interact. energy: -1.138
local terms energy: -41.797515
where:
bonds (distance) C4'-P energy: -8.658
bonds (distance) P-C4' energy: -8.298
flat angles C4'-P-C4' energy: -8.791
flat angles P-C4'-P energy: -6.858
tors. eta vs tors. theta energy: -9.193
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: 9
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -124.260188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.260188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.260188 (E_RNA)
where:
Base-Base interactions energy: -85.030
where: short stacking energy: -36.966
Base-Backbone interact. energy: -0.956
local terms energy: -38.274407
where:
bonds (distance) C4'-P energy: -8.066
bonds (distance) P-C4' energy: -7.735
flat angles C4'-P-C4' energy: -7.870
flat angles P-C4'-P energy: -5.826
tors. eta vs tors. theta energy: -8.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -137.124361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.124361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.124361 (E_RNA)
where:
Base-Base interactions energy: -97.692
where: short stacking energy: -46.768
Base-Backbone interact. energy: -0.704
local terms energy: -38.728707
where:
bonds (distance) C4'-P energy: -8.045
bonds (distance) P-C4' energy: -8.122
flat angles C4'-P-C4' energy: -7.332
flat angles P-C4'-P energy: -5.366
tors. eta vs tors. theta energy: -9.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -57.623915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.623915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.623915 (E_RNA)
where:
Base-Base interactions energy: -25.548
where: short stacking energy: -25.548
Base-Backbone interact. energy: -0.077
local terms energy: -31.999110
where:
bonds (distance) C4'-P energy: -3.187
bonds (distance) P-C4' energy: -9.252
flat angles C4'-P-C4' energy: -7.994
flat angles P-C4'-P energy: -7.971
tors. eta vs tors. theta energy: -3.596
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: 380
Temperature: 1.350000
Total energy: -58.212747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.212747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.212747 (E_RNA)
where:
Base-Base interactions energy: -31.716
where: short stacking energy: -22.206
Base-Backbone interact. energy: -0.082
local terms energy: -26.414380
where:
bonds (distance) C4'-P energy: -4.133
bonds (distance) P-C4' energy: -7.557
flat angles C4'-P-C4' energy: -7.063
flat angles P-C4'-P energy: -7.126
tors. eta vs tors. theta energy: -0.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -142.390731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.390731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.390731 (E_RNA)
where:
Base-Base interactions energy: -96.041
where: short stacking energy: -45.229
Base-Backbone interact. energy: -2.061
local terms energy: -44.289266
where:
bonds (distance) C4'-P energy: -7.201
bonds (distance) P-C4' energy: -11.124
flat angles C4'-P-C4' energy: -7.627
flat angles P-C4'-P energy: -6.838
tors. eta vs tors. theta energy: -11.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -141.729220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.729220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.729220 (E_RNA)
where:
Base-Base interactions energy: -98.453
where: short stacking energy: -45.154
Base-Backbone interact. energy: -0.000
local terms energy: -43.275291
where:
bonds (distance) C4'-P energy: -8.418
bonds (distance) P-C4' energy: -8.703
flat angles C4'-P-C4' energy: -9.055
flat angles P-C4'-P energy: -7.163
tors. eta vs tors. theta energy: -9.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -139.337217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.337217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.337217 (E_RNA)
where:
Base-Base interactions energy: -94.173
where: short stacking energy: -42.698
Base-Backbone interact. energy: -1.157
local terms energy: -44.007120
where:
bonds (distance) C4'-P energy: -9.627
bonds (distance) P-C4' energy: -8.626
flat angles C4'-P-C4' energy: -9.502
flat angles P-C4'-P energy: -6.903
tors. eta vs tors. theta energy: -9.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -137.267016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.267016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.267016 (E_RNA)
where:
Base-Base interactions energy: -93.342
where: short stacking energy: -45.672
Base-Backbone interact. energy: -0.884
local terms energy: -43.041053
where:
bonds (distance) C4'-P energy: -7.034
bonds (distance) P-C4' energy: -10.616
flat angles C4'-P-C4' energy: -8.362
flat angles P-C4'-P energy: -7.755
tors. eta vs tors. theta energy: -9.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -135.979752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.979752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.979752 (E_RNA)
where:
Base-Base interactions energy: -96.303
where: short stacking energy: -45.370
Base-Backbone interact. energy: -0.928
local terms energy: -38.748573
where:
bonds (distance) C4'-P energy: -8.864
bonds (distance) P-C4' energy: -7.220
flat angles C4'-P-C4' energy: -9.856
flat angles P-C4'-P energy: -5.482
tors. eta vs tors. theta energy: -7.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -130.357481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.357481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.357481 (E_RNA)
where:
Base-Base interactions energy: -90.400
where: short stacking energy: -40.525
Base-Backbone interact. energy: -1.813
local terms energy: -38.144215
where:
bonds (distance) C4'-P energy: -7.755
bonds (distance) P-C4' energy: -6.594
flat angles C4'-P-C4' energy: -8.424
flat angles P-C4'-P energy: -8.227
tors. eta vs tors. theta energy: -7.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -108.472263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.472263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.472263 (E_RNA)
where:
Base-Base interactions energy: -74.982
where: short stacking energy: -40.922
Base-Backbone interact. energy: 0.097
local terms energy: -33.587468
where:
bonds (distance) C4'-P energy: -4.939
bonds (distance) P-C4' energy: -8.158
flat angles C4'-P-C4' energy: -7.484
flat angles P-C4'-P energy: -5.986
tors. eta vs tors. theta energy: -7.020
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: 8
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -131.480263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.480263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.480263 (E_RNA)
where:
Base-Base interactions energy: -89.594
where: short stacking energy: -42.245
Base-Backbone interact. energy: -0.001
local terms energy: -41.886046
where:
bonds (distance) C4'-P energy: -7.084
bonds (distance) P-C4' energy: -8.960
flat angles C4'-P-C4' energy: -8.118
flat angles P-C4'-P energy: -7.018
tors. eta vs tors. theta energy: -10.705
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: 9, replica: 6
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -59.339384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.339384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.339384 (E_RNA)
where:
Base-Base interactions energy: -27.850
where: short stacking energy: -27.850
Base-Backbone interact. energy: -0.119
local terms energy: -31.370412
where:
bonds (distance) C4'-P energy: -7.043
bonds (distance) P-C4' energy: -9.345
flat angles C4'-P-C4' energy: -5.977
flat angles P-C4'-P energy: -6.143
tors. eta vs tors. theta energy: -2.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -66.365477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.365477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.365477 (E_RNA)
where:
Base-Base interactions energy: -33.486
where: short stacking energy: -17.838
Base-Backbone interact. energy: -0.093
local terms energy: -32.787093
where:
bonds (distance) C4'-P energy: -9.593
bonds (distance) P-C4' energy: -10.358
flat angles C4'-P-C4' energy: -5.102
flat angles P-C4'-P energy: -4.251
tors. eta vs tors. theta energy: -3.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -140.970444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.970444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.970444 (E_RNA)
where:
Base-Base interactions energy: -96.852
where: short stacking energy: -44.650
Base-Backbone interact. energy: -0.760
local terms energy: -43.358177
where:
bonds (distance) C4'-P energy: -9.379
bonds (distance) P-C4' energy: -8.432
flat angles C4'-P-C4' energy: -8.661
flat angles P-C4'-P energy: -7.239
tors. eta vs tors. theta energy: -9.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -142.304053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.304053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.304053 (E_RNA)
where:
Base-Base interactions energy: -96.370
where: short stacking energy: -45.972
Base-Backbone interact. energy: -1.274
local terms energy: -44.659350
where:
bonds (distance) C4'-P energy: -9.510
bonds (distance) P-C4' energy: -9.806
flat angles C4'-P-C4' energy: -8.232
flat angles P-C4'-P energy: -7.733
tors. eta vs tors. theta energy: -9.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -138.337263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.337263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.337263 (E_RNA)
where:
Base-Base interactions energy: -94.227
where: short stacking energy: -44.790
Base-Backbone interact. energy: -1.798
local terms energy: -42.312518
where:
bonds (distance) C4'-P energy: -7.814
bonds (distance) P-C4' energy: -8.724
flat angles C4'-P-C4' energy: -9.959
flat angles P-C4'-P energy: -5.451
tors. eta vs tors. theta energy: -10.365
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: 4
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -138.490104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.490104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.490104 (E_RNA)
where:
Base-Base interactions energy: -96.220
where: short stacking energy: -47.255
Base-Backbone interact. energy: -1.537
local terms energy: -40.732752
where:
bonds (distance) C4'-P energy: -8.467
bonds (distance) P-C4' energy: -7.579
flat angles C4'-P-C4' energy: -9.380
flat angles P-C4'-P energy: -6.140
tors. eta vs tors. theta energy: -9.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -134.466099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.466099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.466099 (E_RNA)
where:
Base-Base interactions energy: -94.000
where: short stacking energy: -43.598
Base-Backbone interact. energy: -0.590
local terms energy: -39.876950
where:
bonds (distance) C4'-P energy: -7.647
bonds (distance) P-C4' energy: -9.993
flat angles C4'-P-C4' energy: -9.805
flat angles P-C4'-P energy: -1.309
tors. eta vs tors. theta energy: -11.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -131.414772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.414772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.414772 (E_RNA)
where:
Base-Base interactions energy: -92.796
where: short stacking energy: -43.085
Base-Backbone interact. energy: -0.011
local terms energy: -38.608000
where:
bonds (distance) C4'-P energy: -8.286
bonds (distance) P-C4' energy: -10.208
flat angles C4'-P-C4' energy: -8.580
flat angles P-C4'-P energy: -3.015
tors. eta vs tors. theta energy: -8.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -127.796100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.796100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.796100 (E_RNA)
where:
Base-Base interactions energy: -85.705
where: short stacking energy: -39.886
Base-Backbone interact. energy: -0.004
local terms energy: -42.087187
where:
bonds (distance) C4'-P energy: -8.045
bonds (distance) P-C4' energy: -8.831
flat angles C4'-P-C4' energy: -9.133
flat angles P-C4'-P energy: -5.284
tors. eta vs tors. theta energy: -10.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -93.600917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.600917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.600917 (E_RNA)
where:
Base-Base interactions energy: -61.163
where: short stacking energy: -24.322
Base-Backbone interact. energy: -0.857
local terms energy: -31.581270
where:
bonds (distance) C4'-P energy: -8.062
bonds (distance) P-C4' energy: -8.209
flat angles C4'-P-C4' energy: -8.398
flat angles P-C4'-P energy: -5.437
tors. eta vs tors. theta energy: -1.474
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: 2
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -57.135178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.135178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.135178 (E_RNA)
where:
Base-Base interactions energy: -26.739
where: short stacking energy: -23.954
Base-Backbone interact. energy: -0.126
local terms energy: -30.270460
where:
bonds (distance) C4'-P energy: -9.386
bonds (distance) P-C4' energy: -7.772
flat angles C4'-P-C4' energy: -6.256
flat angles P-C4'-P energy: -3.660
tors. eta vs tors. theta energy: -3.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -68.610872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.610872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.610872 (E_RNA)
where:
Base-Base interactions energy: -34.045
where: short stacking energy: -31.169
Base-Backbone interact. energy: 0.081
local terms energy: -34.647175
where:
bonds (distance) C4'-P energy: -5.536
bonds (distance) P-C4' energy: -9.034
flat angles C4'-P-C4' energy: -7.885
flat angles P-C4'-P energy: -4.230
tors. eta vs tors. theta energy: -7.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -145.218933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.218933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.218933 (E_RNA)
where:
Base-Base interactions energy: -99.497
where: short stacking energy: -46.581
Base-Backbone interact. energy: -1.198
local terms energy: -44.524293
where:
bonds (distance) C4'-P energy: -8.351
bonds (distance) P-C4' energy: -9.644
flat angles C4'-P-C4' energy: -9.585
flat angles P-C4'-P energy: -7.610
tors. eta vs tors. theta energy: -9.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -143.045756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.045756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.045756 (E_RNA)
where:
Base-Base interactions energy: -96.292
where: short stacking energy: -45.401
Base-Backbone interact. energy: -1.614
local terms energy: -45.140615
where:
bonds (distance) C4'-P energy: -9.005
bonds (distance) P-C4' energy: -9.528
flat angles C4'-P-C4' energy: -8.893
flat angles P-C4'-P energy: -8.194
tors. eta vs tors. theta energy: -9.520
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: 10
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -138.370287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.370287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.370287 (E_RNA)
where:
Base-Base interactions energy: -92.707
where: short stacking energy: -44.273
Base-Backbone interact. energy: -0.165
local terms energy: -45.498440
where:
bonds (distance) C4'-P energy: -9.585
bonds (distance) P-C4' energy: -10.441
flat angles C4'-P-C4' energy: -9.641
flat angles P-C4'-P energy: -7.244
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: 4, replica: 7
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -137.045014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.045014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.045014 (E_RNA)
where:
Base-Base interactions energy: -92.692
where: short stacking energy: -42.452
Base-Backbone interact. energy: -1.255
local terms energy: -43.098377
where:
bonds (distance) C4'-P energy: -7.250
bonds (distance) P-C4' energy: -9.144
flat angles C4'-P-C4' energy: -8.891
flat angles P-C4'-P energy: -8.338
tors. eta vs tors. theta energy: -9.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -130.189866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.189866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.189866 (E_RNA)
where:
Base-Base interactions energy: -91.920
where: short stacking energy: -36.850
Base-Backbone interact. energy: -0.003
local terms energy: -38.266896
where:
bonds (distance) C4'-P energy: -5.734
bonds (distance) P-C4' energy: -10.609
flat angles C4'-P-C4' energy: -9.722
flat angles P-C4'-P energy: -4.948
tors. eta vs tors. theta energy: -7.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -126.071182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.071182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.071182 (E_RNA)
where:
Base-Base interactions energy: -83.249
where: short stacking energy: -41.020
Base-Backbone interact. energy: -0.004
local terms energy: -42.818116
where:
bonds (distance) C4'-P energy: -10.616
bonds (distance) P-C4' energy: -9.373
flat angles C4'-P-C4' energy: -7.596
flat angles P-C4'-P energy: -6.303
tors. eta vs tors. theta energy: -8.930
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: 5
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -132.407610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.407610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.407610 (E_RNA)
where:
Base-Base interactions energy: -91.088
where: short stacking energy: -42.897
Base-Backbone interact. energy: -0.008
local terms energy: -41.310986
where:
bonds (distance) C4'-P energy: -9.859
bonds (distance) P-C4' energy: -6.315
flat angles C4'-P-C4' energy: -9.971
flat angles P-C4'-P energy: -4.801
tors. eta vs tors. theta energy: -10.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -98.924143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.924143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.924143 (E_RNA)
where:
Base-Base interactions energy: -60.834
where: short stacking energy: -27.758
Base-Backbone interact. energy: -1.069
local terms energy: -37.021592
where:
bonds (distance) C4'-P energy: -5.970
bonds (distance) P-C4' energy: -10.437
flat angles C4'-P-C4' energy: -7.434
flat angles P-C4'-P energy: -6.518
tors. eta vs tors. theta energy: -6.662
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: 9, replica: 2
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -61.694612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.694612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.694612 (E_RNA)
where:
Base-Base interactions energy: -24.244
where: short stacking energy: -24.244
Base-Backbone interact. energy: -0.002
local terms energy: -37.448413
where:
bonds (distance) C4'-P energy: -7.184
bonds (distance) P-C4' energy: -10.153
flat angles C4'-P-C4' energy: -7.047
flat angles P-C4'-P energy: -5.343
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: 10, replica: 6
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -89.639913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.639913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.639913 (E_RNA)
where:
Base-Base interactions energy: -57.643
where: short stacking energy: -22.452
Base-Backbone interact. energy: -0.138
local terms energy: -31.858337
where:
bonds (distance) C4'-P energy: -9.779
bonds (distance) P-C4' energy: -8.823
flat angles C4'-P-C4' energy: -7.608
flat angles P-C4'-P energy: 0.865
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: 1, replica: 1
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -146.210983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.210983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.210983 (E_RNA)
where:
Base-Base interactions energy: -109.247
where: short stacking energy: -41.629
Base-Backbone interact. energy: -0.248
local terms energy: -36.715165
where:
bonds (distance) C4'-P energy: -10.640
bonds (distance) P-C4' energy: -8.362
flat angles C4'-P-C4' energy: -7.313
flat angles P-C4'-P energy: -2.074
tors. eta vs tors. theta energy: -8.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -144.357621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.357621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.357621 (E_RNA)
where:
Base-Base interactions energy: -96.446
where: short stacking energy: -46.021
Base-Backbone interact. energy: -1.942
local terms energy: -45.970597
where:
bonds (distance) C4'-P energy: -8.910
bonds (distance) P-C4' energy: -7.707
flat angles C4'-P-C4' energy: -10.117
flat angles P-C4'-P energy: -8.632
tors. eta vs tors. theta energy: -10.605
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: 10
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -140.501746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.501746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.501746 (E_RNA)
where:
Base-Base interactions energy: -94.667
where: short stacking energy: -43.715
Base-Backbone interact. energy: -1.433
local terms energy: -44.401803
where:
bonds (distance) C4'-P energy: -9.092
bonds (distance) P-C4' energy: -10.168
flat angles C4'-P-C4' energy: -7.633
flat angles P-C4'-P energy: -6.937
tors. eta vs tors. theta energy: -10.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -135.552234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.552234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.552234 (E_RNA)
where:
Base-Base interactions energy: -96.125
where: short stacking energy: -36.912
Base-Backbone interact. energy: -0.039
local terms energy: -39.388085
where:
bonds (distance) C4'-P energy: -8.446
bonds (distance) P-C4' energy: -8.993
flat angles C4'-P-C4' energy: -9.212
flat angles P-C4'-P energy: -4.586
tors. eta vs tors. theta energy: -8.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -130.264183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.264183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.264183 (E_RNA)
where:
Base-Base interactions energy: -92.300
where: short stacking energy: -39.290
Base-Backbone interact. energy: -0.333
local terms energy: -37.631169
where:
bonds (distance) C4'-P energy: -8.997
bonds (distance) P-C4' energy: -9.503
flat angles C4'-P-C4' energy: -8.494
flat angles P-C4'-P energy: -3.062
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: 6, replica: 4
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -134.095796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.095796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.095796 (E_RNA)
where:
Base-Base interactions energy: -92.785
where: short stacking energy: -43.713
Base-Backbone interact. energy: -0.001
local terms energy: -41.309215
where:
bonds (distance) C4'-P energy: -3.560
bonds (distance) P-C4' energy: -11.106
flat angles C4'-P-C4' energy: -9.094
flat angles P-C4'-P energy: -7.872
tors. eta vs tors. theta energy: -9.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -125.536418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.536418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.536418 (E_RNA)
where:
Base-Base interactions energy: -87.952
where: short stacking energy: -41.610
Base-Backbone interact. energy: 0.012
local terms energy: -37.596273
where:
bonds (distance) C4'-P energy: -8.174
bonds (distance) P-C4' energy: -9.280
flat angles C4'-P-C4' energy: -8.325
flat angles P-C4'-P energy: -3.862
tors. eta vs tors. theta energy: -7.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -104.611436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.611436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.611436 (E_RNA)
where:
Base-Base interactions energy: -73.267
where: short stacking energy: -28.799
Base-Backbone interact. energy: -0.094
local terms energy: -31.250940
where:
bonds (distance) C4'-P energy: -7.792
bonds (distance) P-C4' energy: -8.368
flat angles C4'-P-C4' energy: -11.394
flat angles P-C4'-P energy: -4.825
tors. eta vs tors. theta energy: 1.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -121.614465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.614465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.614465 (E_RNA)
where:
Base-Base interactions energy: -85.552
where: short stacking energy: -29.305
Base-Backbone interact. energy: -0.023
local terms energy: -36.039594
where:
bonds (distance) C4'-P energy: -10.864
bonds (distance) P-C4' energy: -9.897
flat angles C4'-P-C4' energy: -9.432
flat angles P-C4'-P energy: -1.078
tors. eta vs tors. theta energy: -4.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -64.399771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.399771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.399771 (E_RNA)
where:
Base-Base interactions energy: -30.227
where: short stacking energy: -27.797
Base-Backbone interact. energy: -0.001
local terms energy: -34.172004
where:
bonds (distance) C4'-P energy: -7.168
bonds (distance) P-C4' energy: -9.936
flat angles C4'-P-C4' energy: -8.177
flat angles P-C4'-P energy: -6.292
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: 1, replica: 1
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -147.487661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.487661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.487661 (E_RNA)
where:
Base-Base interactions energy: -107.512
where: short stacking energy: -42.445
Base-Backbone interact. energy: -0.021
local terms energy: -39.955039
where:
bonds (distance) C4'-P energy: -8.816
bonds (distance) P-C4' energy: -9.331
flat angles C4'-P-C4' energy: -7.687
flat angles P-C4'-P energy: -5.337
tors. eta vs tors. theta energy: -8.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -137.637941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.637941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.637941 (E_RNA)
where:
Base-Base interactions energy: -93.602
where: short stacking energy: -36.080
Base-Backbone interact. energy: -0.444
local terms energy: -43.591658
where:
bonds (distance) C4'-P energy: -10.037
bonds (distance) P-C4' energy: -10.165
flat angles C4'-P-C4' energy: -8.450
flat angles P-C4'-P energy: -3.632
tors. eta vs tors. theta energy: -11.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -137.114652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.114652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.114652 (E_RNA)
where:
Base-Base interactions energy: -94.762
where: short stacking energy: -39.622
Base-Backbone interact. energy: -0.241
local terms energy: -42.111625
where:
bonds (distance) C4'-P energy: -9.593
bonds (distance) P-C4' energy: -8.027
flat angles C4'-P-C4' energy: -10.009
flat angles P-C4'-P energy: -7.505
tors. eta vs tors. theta energy: -6.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -130.262309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.262309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.262309 (E_RNA)
where:
Base-Base interactions energy: -85.273
where: short stacking energy: -35.792
Base-Backbone interact. energy: -0.010
local terms energy: -44.979455
where:
bonds (distance) C4'-P energy: -9.022
bonds (distance) P-C4' energy: -8.554
flat angles C4'-P-C4' energy: -10.620
flat angles P-C4'-P energy: -7.670
tors. eta vs tors. theta energy: -9.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -124.278095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.278095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.278095 (E_RNA)
where:
Base-Base interactions energy: -82.420
where: short stacking energy: -31.590
Base-Backbone interact. energy: -0.043
local terms energy: -41.815090
where:
bonds (distance) C4'-P energy: -8.579
bonds (distance) P-C4' energy: -10.422
flat angles C4'-P-C4' energy: -8.542
flat angles P-C4'-P energy: -7.952
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: 6, replica: 5
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -131.543653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.543653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.543653 (E_RNA)
where:
Base-Base interactions energy: -87.974
where: short stacking energy: -40.054
Base-Backbone interact. energy: -0.001
local terms energy: -43.568324
where:
bonds (distance) C4'-P energy: -10.285
bonds (distance) P-C4' energy: -9.993
flat angles C4'-P-C4' energy: -9.459
flat angles P-C4'-P energy: -2.397
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: 7, replica: 4
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -126.895466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.895466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.895466 (E_RNA)
where:
Base-Base interactions energy: -93.880
where: short stacking energy: -45.242
Base-Backbone interact. energy: -1.530
local terms energy: -31.485001
where:
bonds (distance) C4'-P energy: -6.489
bonds (distance) P-C4' energy: -2.800
flat angles C4'-P-C4' energy: -8.741
flat angles P-C4'-P energy: -4.463
tors. eta vs tors. theta energy: -8.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -129.604789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.604789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.604789 (E_RNA)
where:
Base-Base interactions energy: -87.480
where: short stacking energy: -39.321
Base-Backbone interact. energy: -0.911
local terms energy: -41.213791
where:
bonds (distance) C4'-P energy: -8.393
bonds (distance) P-C4' energy: -10.644
flat angles C4'-P-C4' energy: -8.936
flat angles P-C4'-P energy: -4.450
tors. eta vs tors. theta energy: -8.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -105.488162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.488162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.488162 (E_RNA)
where:
Base-Base interactions energy: -70.840
where: short stacking energy: -33.997
Base-Backbone interact. energy: -0.001
local terms energy: -34.647450
where:
bonds (distance) C4'-P energy: -6.431
bonds (distance) P-C4' energy: -10.094
flat angles C4'-P-C4' energy: -7.402
flat angles P-C4'-P energy: -6.487
tors. eta vs tors. theta energy: -4.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -68.062574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.062574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.062574 (E_RNA)
where:
Base-Base interactions energy: -30.945
where: short stacking energy: -15.137
Base-Backbone interact. energy: -0.115
local terms energy: -37.002755
where:
bonds (distance) C4'-P energy: -7.196
bonds (distance) P-C4' energy: -10.666
flat angles C4'-P-C4' energy: -9.998
flat angles P-C4'-P energy: -6.481
tors. eta vs tors. theta energy: -2.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -142.003432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.003432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.003432 (E_RNA)
where:
Base-Base interactions energy: -92.714
where: short stacking energy: -43.247
Base-Backbone interact. energy: -0.005
local terms energy: -49.285159
where:
bonds (distance) C4'-P energy: -9.929
bonds (distance) P-C4' energy: -10.429
flat angles C4'-P-C4' energy: -10.325
flat angles P-C4'-P energy: -7.211
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: 2, replica: 1
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -144.970464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.970464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.970464 (E_RNA)
where:
Base-Base interactions energy: -107.941
where: short stacking energy: -40.834
Base-Backbone interact. energy: -0.080
local terms energy: -36.949203
where:
bonds (distance) C4'-P energy: -7.566
bonds (distance) P-C4' energy: -9.985
flat angles C4'-P-C4' energy: -7.954
flat angles P-C4'-P energy: -3.516
tors. eta vs tors. theta energy: -7.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -137.651465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.651465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.651465 (E_RNA)
where:
Base-Base interactions energy: -93.960
where: short stacking energy: -45.442
Base-Backbone interact. energy: -0.633
local terms energy: -43.058876
where:
bonds (distance) C4'-P energy: -8.098
bonds (distance) P-C4' energy: -8.276
flat angles C4'-P-C4' energy: -10.689
flat angles P-C4'-P energy: -7.746
tors. eta vs tors. theta energy: -8.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -135.677860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.677860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.677860 (E_RNA)
where:
Base-Base interactions energy: -94.832
where: short stacking energy: -43.961
Base-Backbone interact. energy: -1.072
local terms energy: -39.774127
where:
bonds (distance) C4'-P energy: -9.912
bonds (distance) P-C4' energy: -8.175
flat angles C4'-P-C4' energy: -8.102
flat angles P-C4'-P energy: -5.774
tors. eta vs tors. theta energy: -7.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -130.982122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.982122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.982122 (E_RNA)
where:
Base-Base interactions energy: -87.727
where: short stacking energy: -42.440
Base-Backbone interact. energy: -0.075
local terms energy: -43.179529
where:
bonds (distance) C4'-P energy: -9.833
bonds (distance) P-C4' energy: -8.914
flat angles C4'-P-C4' energy: -7.986
flat angles P-C4'-P energy: -6.899
tors. eta vs tors. theta energy: -9.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -127.617849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.617849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.617849 (E_RNA)
where:
Base-Base interactions energy: -96.170
where: short stacking energy: -45.892
Base-Backbone interact. energy: 0.081
local terms energy: -31.529090
where:
bonds (distance) C4'-P energy: -5.258
bonds (distance) P-C4' energy: -6.856
flat angles C4'-P-C4' energy: -5.793
flat angles P-C4'-P energy: -4.803
tors. eta vs tors. theta energy: -8.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -129.267861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.267861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.267861 (E_RNA)
where:
Base-Base interactions energy: -96.122
where: short stacking energy: -45.902
Base-Backbone interact. energy: -1.217
local terms energy: -31.928932
where:
bonds (distance) C4'-P energy: -4.700
bonds (distance) P-C4' energy: -8.916
flat angles C4'-P-C4' energy: -5.826
flat angles P-C4'-P energy: -4.499
tors. eta vs tors. theta energy: -7.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -120.035045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.035045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.035045 (E_RNA)
where:
Base-Base interactions energy: -79.569
where: short stacking energy: -37.096
Base-Backbone interact. energy: -0.008
local terms energy: -40.457263
where:
bonds (distance) C4'-P energy: -8.720
bonds (distance) P-C4' energy: -7.821
flat angles C4'-P-C4' energy: -8.393
flat angles P-C4'-P energy: -5.697
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: 9, replica: 9
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -107.763183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.763183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.763183 (E_RNA)
where:
Base-Base interactions energy: -79.933
where: short stacking energy: -26.945
Base-Backbone interact. energy: -0.194
local terms energy: -27.636501
where:
bonds (distance) C4'-P energy: -2.424
bonds (distance) P-C4' energy: -8.333
flat angles C4'-P-C4' energy: -8.686
flat angles P-C4'-P energy: -4.874
tors. eta vs tors. theta energy: -3.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -59.015972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.015972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.015972 (E_RNA)
where:
Base-Base interactions energy: -25.888
where: short stacking energy: -23.185
Base-Backbone interact. energy: -0.134
local terms energy: -32.993852
where:
bonds (distance) C4'-P energy: -5.465
bonds (distance) P-C4' energy: -10.665
flat angles C4'-P-C4' energy: -10.130
flat angles P-C4'-P energy: -4.023
tors. eta vs tors. theta energy: -2.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -139.714660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.714660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.714660 (E_RNA)
where:
Base-Base interactions energy: -95.790
where: short stacking energy: -44.520
Base-Backbone interact. energy: -1.176
local terms energy: -42.748475
where:
bonds (distance) C4'-P energy: -6.625
bonds (distance) P-C4' energy: -9.567
flat angles C4'-P-C4' energy: -10.038
flat angles P-C4'-P energy: -8.027
tors. eta vs tors. theta energy: -8.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -143.348765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.348765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.348765 (E_RNA)
where:
Base-Base interactions energy: -97.530
where: short stacking energy: -46.579
Base-Backbone interact. energy: -0.046
local terms energy: -45.772749
where:
bonds (distance) C4'-P energy: -10.268
bonds (distance) P-C4' energy: -10.616
flat angles C4'-P-C4' energy: -9.751
flat angles P-C4'-P energy: -5.170
tors. eta vs tors. theta energy: -9.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -139.289824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.289824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.289824 (E_RNA)
where:
Base-Base interactions energy: -96.249
where: short stacking energy: -46.548
Base-Backbone interact. energy: -0.962
local terms energy: -42.078793
where:
bonds (distance) C4'-P energy: -9.663
bonds (distance) P-C4' energy: -9.144
flat angles C4'-P-C4' energy: -8.695
flat angles P-C4'-P energy: -6.269
tors. eta vs tors. theta energy: -8.308
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: 5
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -133.430283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.430283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.430283 (E_RNA)
where:
Base-Base interactions energy: -88.485
where: short stacking energy: -41.763
Base-Backbone interact. energy: -0.291
local terms energy: -44.654630
where:
bonds (distance) C4'-P energy: -7.523
bonds (distance) P-C4' energy: -11.131
flat angles C4'-P-C4' energy: -8.393
flat angles P-C4'-P energy: -7.760
tors. eta vs tors. theta energy: -9.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -132.875268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.875268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.875268 (E_RNA)
where:
Base-Base interactions energy: -91.042
where: short stacking energy: -41.208
Base-Backbone interact. energy: -0.197
local terms energy: -41.636466
where:
bonds (distance) C4'-P energy: -10.276
bonds (distance) P-C4' energy: -6.861
flat angles C4'-P-C4' energy: -7.376
flat angles P-C4'-P energy: -5.988
tors. eta vs tors. theta energy: -11.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -139.460649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.460649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.460649 (E_RNA)
where:
Base-Base interactions energy: -93.658
where: short stacking energy: -43.391
Base-Backbone interact. energy: -0.384
local terms energy: -45.418575
where:
bonds (distance) C4'-P energy: -8.296
bonds (distance) P-C4' energy: -10.649
flat angles C4'-P-C4' energy: -9.490
flat angles P-C4'-P energy: -5.702
tors. eta vs tors. theta energy: -11.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -132.621012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.621012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.621012 (E_RNA)
where:
Base-Base interactions energy: -98.092
where: short stacking energy: -40.392
Base-Backbone interact. energy: -0.282
local terms energy: -34.247029
where:
bonds (distance) C4'-P energy: -5.876
bonds (distance) P-C4' energy: -8.227
flat angles C4'-P-C4' energy: -7.084
flat angles P-C4'-P energy: -2.991
tors. eta vs tors. theta energy: -10.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -120.758822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.758822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.758822 (E_RNA)
where:
Base-Base interactions energy: -83.692
where: short stacking energy: -39.065
Base-Backbone interact. energy: -0.562
local terms energy: -36.505056
where:
bonds (distance) C4'-P energy: -9.652
bonds (distance) P-C4' energy: -7.357
flat angles C4'-P-C4' energy: -7.245
flat angles P-C4'-P energy: -2.613
tors. eta vs tors. theta energy: -9.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -125.049034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.049034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.049034 (E_RNA)
where:
Base-Base interactions energy: -89.713
where: short stacking energy: -40.716
Base-Backbone interact. energy: 0.378
local terms energy: -35.714789
where:
bonds (distance) C4'-P energy: -4.145
bonds (distance) P-C4' energy: -6.590
flat angles C4'-P-C4' energy: -8.249
flat angles P-C4'-P energy: -7.383
tors. eta vs tors. theta energy: -9.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -53.741537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.741537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.741537 (E_RNA)
where:
Base-Base interactions energy: -22.527
where: short stacking energy: -22.527
Base-Backbone interact. energy: -0.124
local terms energy: -31.091316
where:
bonds (distance) C4'-P energy: -7.817
bonds (distance) P-C4' energy: -8.228
flat angles C4'-P-C4' energy: -7.432
flat angles P-C4'-P energy: -5.338
tors. eta vs tors. theta energy: -2.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -139.149369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.149369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.149369 (E_RNA)
where:
Base-Base interactions energy: -97.695
where: short stacking energy: -45.947
Base-Backbone interact. energy: -0.030
local terms energy: -41.424067
where:
bonds (distance) C4'-P energy: -8.778
bonds (distance) P-C4' energy: -9.160
flat angles C4'-P-C4' energy: -9.331
flat angles P-C4'-P energy: -4.774
tors. eta vs tors. theta energy: -9.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -143.395480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.395480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.395480 (E_RNA)
where:
Base-Base interactions energy: -98.662
where: short stacking energy: -47.386
Base-Backbone interact. energy: -0.888
local terms energy: -43.845374
where:
bonds (distance) C4'-P energy: -8.562
bonds (distance) P-C4' energy: -10.186
flat angles C4'-P-C4' energy: -7.426
flat angles P-C4'-P energy: -6.973
tors. eta vs tors. theta energy: -10.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -137.701600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.701600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.701600 (E_RNA)
where:
Base-Base interactions energy: -94.224
where: short stacking energy: -44.292
Base-Backbone interact. energy: -1.296
local terms energy: -42.181614
where:
bonds (distance) C4'-P energy: -8.351
bonds (distance) P-C4' energy: -8.249
flat angles C4'-P-C4' energy: -8.515
flat angles P-C4'-P energy: -7.344
tors. eta vs tors. theta energy: -9.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -138.411719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.411719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.411719 (E_RNA)
where:
Base-Base interactions energy: -91.975
where: short stacking energy: -39.723
Base-Backbone interact. energy: -0.986
local terms energy: -45.449924
where:
bonds (distance) C4'-P energy: -8.814
bonds (distance) P-C4' energy: -10.351
flat angles C4'-P-C4' energy: -10.024
flat angles P-C4'-P energy: -6.799
tors. eta vs tors. theta energy: -9.460
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: 388
Temperature: 1.100000
Total energy: -134.506955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.506955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.506955 (E_RNA)
where:
Base-Base interactions energy: -96.371
where: short stacking energy: -44.450
Base-Backbone interact. energy: -1.096
local terms energy: -37.040029
where:
bonds (distance) C4'-P energy: -5.934
bonds (distance) P-C4' energy: -10.567
flat angles C4'-P-C4' energy: -3.462
flat angles P-C4'-P energy: -7.824
tors. eta vs tors. theta energy: -9.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -134.154497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.154497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.154497 (E_RNA)
where:
Base-Base interactions energy: -86.731
where: short stacking energy: -42.715
Base-Backbone interact. energy: -3.295
local terms energy: -44.128268
where:
bonds (distance) C4'-P energy: -8.828
bonds (distance) P-C4' energy: -8.070
flat angles C4'-P-C4' energy: -7.565
flat angles P-C4'-P energy: -8.313
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: 7, replica: 9
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -134.241481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.241481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.241481 (E_RNA)
where:
Base-Base interactions energy: -92.447
where: short stacking energy: -41.242
Base-Backbone interact. energy: -1.449
local terms energy: -40.346188
where:
bonds (distance) C4'-P energy: -7.640
bonds (distance) P-C4' energy: -9.491
flat angles C4'-P-C4' energy: -7.784
flat angles P-C4'-P energy: -5.178
tors. eta vs tors. theta energy: -10.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -127.753031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.753031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.753031 (E_RNA)
where:
Base-Base interactions energy: -87.614
where: short stacking energy: -38.265
Base-Backbone interact. energy: 0.233
local terms energy: -40.372529
where:
bonds (distance) C4'-P energy: -9.138
bonds (distance) P-C4' energy: -9.790
flat angles C4'-P-C4' energy: -7.645
flat angles P-C4'-P energy: -4.757
tors. eta vs tors. theta energy: -9.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -132.562012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.562012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.562012 (E_RNA)
where:
Base-Base interactions energy: -92.766
where: short stacking energy: -44.979
Base-Backbone interact. energy: -0.003
local terms energy: -39.792533
where:
bonds (distance) C4'-P energy: -9.403
bonds (distance) P-C4' energy: -9.781
flat angles C4'-P-C4' energy: -6.158
flat angles P-C4'-P energy: -5.653
tors. eta vs tors. theta energy: -8.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -59.644318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.644318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.644318 (E_RNA)
where:
Base-Base interactions energy: -32.841
where: short stacking energy: -20.544
Base-Backbone interact. energy: -0.375
local terms energy: -26.427922
where:
bonds (distance) C4'-P energy: -9.040
bonds (distance) P-C4' energy: -4.187
flat angles C4'-P-C4' energy: -7.799
flat angles P-C4'-P energy: -4.391
tors. eta vs tors. theta energy: -1.010
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: 1, replica: 1
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -143.672821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.672821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.672821 (E_RNA)
where:
Base-Base interactions energy: -98.180
where: short stacking energy: -45.983
Base-Backbone interact. energy: -0.007
local terms energy: -45.485264
where:
bonds (distance) C4'-P energy: -8.725
bonds (distance) P-C4' energy: -10.560
flat angles C4'-P-C4' energy: -8.799
flat angles P-C4'-P energy: -6.682
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: 2, replica: 5
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -139.875607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.875607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.875607 (E_RNA)
where:
Base-Base interactions energy: -95.319
where: short stacking energy: -44.448
Base-Backbone interact. energy: -0.965
local terms energy: -43.591646
where:
bonds (distance) C4'-P energy: -8.567
bonds (distance) P-C4' energy: -9.724
flat angles C4'-P-C4' energy: -9.388
flat angles P-C4'-P energy: -6.935
tors. eta vs tors. theta energy: -8.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -134.219327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.219327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.219327 (E_RNA)
where:
Base-Base interactions energy: -89.952
where: short stacking energy: -45.493
Base-Backbone interact. energy: -0.171
local terms energy: -44.096612
where:
bonds (distance) C4'-P energy: -7.407
bonds (distance) P-C4' energy: -9.320
flat angles C4'-P-C4' energy: -9.631
flat angles P-C4'-P energy: -7.904
tors. eta vs tors. theta energy: -9.835
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: 4, replica: 3
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -135.291712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.291712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.291712 (E_RNA)
where:
Base-Base interactions energy: -92.590
where: short stacking energy: -41.871
Base-Backbone interact. energy: -1.319
local terms energy: -41.382128
where:
bonds (distance) C4'-P energy: -9.466
bonds (distance) P-C4' energy: -6.389
flat angles C4'-P-C4' energy: -7.781
flat angles P-C4'-P energy: -7.911
tors. eta vs tors. theta energy: -9.835
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: 389
Temperature: 1.100000
Total energy: -131.296472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.296472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.296472 (E_RNA)
where:
Base-Base interactions energy: -92.074
where: short stacking energy: -43.461
Base-Backbone interact. energy: -0.038
local terms energy: -39.184755
where:
bonds (distance) C4'-P energy: -6.653
bonds (distance) P-C4' energy: -9.432
flat angles C4'-P-C4' energy: -9.086
flat angles P-C4'-P energy: -6.224
tors. eta vs tors. theta energy: -7.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -133.318600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.318600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.318600 (E_RNA)
where:
Base-Base interactions energy: -91.511
where: short stacking energy: -44.272
Base-Backbone interact. energy: -0.069
local terms energy: -41.738416
where:
bonds (distance) C4'-P energy: -5.358
bonds (distance) P-C4' energy: -8.847
flat angles C4'-P-C4' energy: -9.632
flat angles P-C4'-P energy: -7.201
tors. eta vs tors. theta energy: -10.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -118.363914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.363914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.363914 (E_RNA)
where:
Base-Base interactions energy: -84.287
where: short stacking energy: -37.435
Base-Backbone interact. energy: -0.001
local terms energy: -34.076189
where:
bonds (distance) C4'-P energy: -7.529
bonds (distance) P-C4' energy: -8.387
flat angles C4'-P-C4' energy: -2.998
flat angles P-C4'-P energy: -4.782
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: 8, replica: 4
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -126.520797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.520797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.520797 (E_RNA)
where:
Base-Base interactions energy: -84.920
where: short stacking energy: -38.579
Base-Backbone interact. energy: -0.028
local terms energy: -41.572581
where:
bonds (distance) C4'-P energy: -7.088
bonds (distance) P-C4' energy: -9.932
flat angles C4'-P-C4' energy: -8.228
flat angles P-C4'-P energy: -5.878
tors. eta vs tors. theta energy: -10.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -124.717651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.717651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.717651 (E_RNA)
where:
Base-Base interactions energy: -88.641
where: short stacking energy: -43.056
Base-Backbone interact. energy: -0.054
local terms energy: -36.023100
where:
bonds (distance) C4'-P energy: -7.391
bonds (distance) P-C4' energy: -3.529
flat angles C4'-P-C4' energy: -8.356
flat angles P-C4'-P energy: -6.470
tors. eta vs tors. theta energy: -10.278
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: 10, replica: 2
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -59.724885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.724885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.724885 (E_RNA)
where:
Base-Base interactions energy: -24.102
where: short stacking energy: -24.102
Base-Backbone interact. energy: -0.052
local terms energy: -35.571230
where:
bonds (distance) C4'-P energy: -6.761
bonds (distance) P-C4' energy: -8.322
flat angles C4'-P-C4' energy: -9.785
flat angles P-C4'-P energy: -5.773
tors. eta vs tors. theta energy: -4.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -141.357719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.357719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.357719 (E_RNA)
where:
Base-Base interactions energy: -96.142
where: short stacking energy: -41.626
Base-Backbone interact. energy: -0.807
local terms energy: -44.409222
where:
bonds (distance) C4'-P energy: -8.224
bonds (distance) P-C4' energy: -10.155
flat angles C4'-P-C4' energy: -10.322
flat angles P-C4'-P energy: -6.185
tors. eta vs tors. theta energy: -9.524
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: 5
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -143.948522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.948522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.948522 (E_RNA)
where:
Base-Base interactions energy: -96.005
where: short stacking energy: -44.878
Base-Backbone interact. energy: -0.955
local terms energy: -46.988480
where:
bonds (distance) C4'-P energy: -10.463
bonds (distance) P-C4' energy: -8.337
flat angles C4'-P-C4' energy: -10.313
flat angles P-C4'-P energy: -7.920
tors. eta vs tors. theta energy: -9.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -141.238880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.238880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.238880 (E_RNA)
where:
Base-Base interactions energy: -100.096
where: short stacking energy: -43.142
Base-Backbone interact. energy: -0.049
local terms energy: -41.093893
where:
bonds (distance) C4'-P energy: -6.993
bonds (distance) P-C4' energy: -9.218
flat angles C4'-P-C4' energy: -8.823
flat angles P-C4'-P energy: -8.127
tors. eta vs tors. theta energy: -7.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -137.590596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.590596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.590596 (E_RNA)
where:
Base-Base interactions energy: -92.534
where: short stacking energy: -46.957
Base-Backbone interact. energy: -0.000
local terms energy: -45.056726
where:
bonds (distance) C4'-P energy: -9.192
bonds (distance) P-C4' energy: -10.059
flat angles C4'-P-C4' energy: -7.442
flat angles P-C4'-P energy: -7.928
tors. eta vs tors. theta energy: -10.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -140.639122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.639122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.639122 (E_RNA)
where:
Base-Base interactions energy: -96.666
where: short stacking energy: -43.532
Base-Backbone interact. energy: -1.760
local terms energy: -42.212947
where:
bonds (distance) C4'-P energy: -7.813
bonds (distance) P-C4' energy: -10.080
flat angles C4'-P-C4' energy: -8.019
flat angles P-C4'-P energy: -6.587
tors. eta vs tors. theta energy: -9.714
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: 6, replica: 7
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -123.697354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.697354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.697354 (E_RNA)
where:
Base-Base interactions energy: -83.659
where: short stacking energy: -35.659
Base-Backbone interact. energy: -0.013
local terms energy: -40.025070
where:
bonds (distance) C4'-P energy: -10.011
bonds (distance) P-C4' energy: -9.796
flat angles C4'-P-C4' energy: -8.469
flat angles P-C4'-P energy: -5.411
tors. eta vs tors. theta energy: -6.339
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: 4
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -133.413957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.413957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.413957 (E_RNA)
where:
Base-Base interactions energy: -87.290
where: short stacking energy: -38.256
Base-Backbone interact. energy: -1.308
local terms energy: -44.815711
where:
bonds (distance) C4'-P energy: -9.859
bonds (distance) P-C4' energy: -8.003
flat angles C4'-P-C4' energy: -8.964
flat angles P-C4'-P energy: -6.915
tors. eta vs tors. theta energy: -11.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -78.096623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.096623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.096623 (E_RNA)
where:
Base-Base interactions energy: -42.522
where: short stacking energy: -24.444
Base-Backbone interact. energy: -0.002
local terms energy: -35.573484
where:
bonds (distance) C4'-P energy: -10.347
bonds (distance) P-C4' energy: -9.543
flat angles C4'-P-C4' energy: -7.893
flat angles P-C4'-P energy: -5.352
tors. eta vs tors. theta energy: -2.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -77.726316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.726316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.726316 (E_RNA)
where:
Base-Base interactions energy: -39.032
where: short stacking energy: -31.610
Base-Backbone interact. energy: -0.000
local terms energy: -38.693755
where:
bonds (distance) C4'-P energy: -8.376
bonds (distance) P-C4' energy: -9.503
flat angles C4'-P-C4' energy: -7.346
flat angles P-C4'-P energy: -6.213
tors. eta vs tors. theta energy: -7.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -122.988222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.988222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.988222 (E_RNA)
where:
Base-Base interactions energy: -92.453
where: short stacking energy: -37.094
Base-Backbone interact. energy: -0.013
local terms energy: -30.522363
where:
bonds (distance) C4'-P energy: -6.050
bonds (distance) P-C4' energy: -5.789
flat angles C4'-P-C4' energy: -8.231
flat angles P-C4'-P energy: -2.074
tors. eta vs tors. theta energy: -8.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -141.160001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.160001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.160001 (E_RNA)
where:
Base-Base interactions energy: -96.054
where: short stacking energy: -44.903
Base-Backbone interact. energy: -0.011
local terms energy: -45.095172
where:
bonds (distance) C4'-P energy: -8.000
bonds (distance) P-C4' energy: -11.131
flat angles C4'-P-C4' energy: -10.120
flat angles P-C4'-P energy: -6.620
tors. eta vs tors. theta energy: -9.224
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: 2, replica: 3
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -143.337506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.337506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.337506 (E_RNA)
where:
Base-Base interactions energy: -100.643
where: short stacking energy: -41.806
Base-Backbone interact. energy: -0.529
local terms energy: -42.166269
where:
bonds (distance) C4'-P energy: -8.133
bonds (distance) P-C4' energy: -10.652
flat angles C4'-P-C4' energy: -10.407
flat angles P-C4'-P energy: -5.650
tors. eta vs tors. theta energy: -7.324
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: 5
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -140.062521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.062521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.062521 (E_RNA)
where:
Base-Base interactions energy: -95.864
where: short stacking energy: -42.865
Base-Backbone interact. energy: -1.072
local terms energy: -43.126567
where:
bonds (distance) C4'-P energy: -8.786
bonds (distance) P-C4' energy: -10.032
flat angles C4'-P-C4' energy: -6.636
flat angles P-C4'-P energy: -6.727
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: 4, replica: 8
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -135.468999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.468999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.468999 (E_RNA)
where:
Base-Base interactions energy: -92.093
where: short stacking energy: -43.051
Base-Backbone interact. energy: -0.289
local terms energy: -43.086693
where:
bonds (distance) C4'-P energy: -6.621
bonds (distance) P-C4' energy: -10.193
flat angles C4'-P-C4' energy: -8.810
flat angles P-C4'-P energy: -8.160
tors. eta vs tors. theta energy: -9.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -126.990767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.990767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.990767 (E_RNA)
where:
Base-Base interactions energy: -87.199
where: short stacking energy: -41.413
Base-Backbone interact. energy: -0.003
local terms energy: -39.789613
where:
bonds (distance) C4'-P energy: -2.924
bonds (distance) P-C4' energy: -9.917
flat angles C4'-P-C4' energy: -10.685
flat angles P-C4'-P energy: -6.954
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: 6, replica: 4
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -136.242059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.242059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.242059 (E_RNA)
where:
Base-Base interactions energy: -92.733
where: short stacking energy: -43.156
Base-Backbone interact. energy: -1.253
local terms energy: -42.256500
where:
bonds (distance) C4'-P energy: -9.644
bonds (distance) P-C4' energy: -9.671
flat angles C4'-P-C4' energy: -8.797
flat angles P-C4'-P energy: -4.706
tors. eta vs tors. theta energy: -9.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -124.047254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.047254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.047254 (E_RNA)
where:
Base-Base interactions energy: -86.882
where: short stacking energy: -36.262
Base-Backbone interact. energy: -0.010
local terms energy: -37.155764
where:
bonds (distance) C4'-P energy: -9.519
bonds (distance) P-C4' energy: -9.757
flat angles C4'-P-C4' energy: -7.572
flat angles P-C4'-P energy: -4.970
tors. eta vs tors. theta energy: -5.337
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: 2
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -61.849931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.849931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.849931 (E_RNA)
where:
Base-Base interactions energy: -25.871
where: short stacking energy: -23.530
Base-Backbone interact. energy: -0.093
local terms energy: -35.885087
where:
bonds (distance) C4'-P energy: -6.852
bonds (distance) P-C4' energy: -8.274
flat angles C4'-P-C4' energy: -8.477
flat angles P-C4'-P energy: -7.808
tors. eta vs tors. theta energy: -4.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -71.458076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.458076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.458076 (E_RNA)
where:
Base-Base interactions energy: -39.419
where: short stacking energy: -26.599
Base-Backbone interact. energy: -0.001
local terms energy: -32.038038
where:
bonds (distance) C4'-P energy: -7.433
bonds (distance) P-C4' energy: -7.350
flat angles C4'-P-C4' energy: -3.365
flat angles P-C4'-P energy: -6.699
tors. eta vs tors. theta energy: -7.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -66.101772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.101772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.101772 (E_RNA)
where:
Base-Base interactions energy: -37.560
where: short stacking energy: -19.091
Base-Backbone interact. energy: -0.686
local terms energy: -27.856041
where:
bonds (distance) C4'-P energy: -10.090
bonds (distance) P-C4' energy: -10.380
flat angles C4'-P-C4' energy: -9.282
flat angles P-C4'-P energy: -2.816
tors. eta vs tors. theta energy: 4.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -146.304270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.304270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.304270 (E_RNA)
where:
Base-Base interactions energy: -100.995
where: short stacking energy: -44.900
Base-Backbone interact. energy: -0.646
local terms energy: -44.663328
where:
bonds (distance) C4'-P energy: -10.078
bonds (distance) P-C4' energy: -10.208
flat angles C4'-P-C4' energy: -9.464
flat angles P-C4'-P energy: -4.814
tors. eta vs tors. theta energy: -10.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -140.458159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.458159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.458159 (E_RNA)
where:
Base-Base interactions energy: -95.220
where: short stacking energy: -41.314
Base-Backbone interact. energy: -0.269
local terms energy: -44.969413
where:
bonds (distance) C4'-P energy: -8.501
bonds (distance) P-C4' energy: -10.451
flat angles C4'-P-C4' energy: -10.801
flat angles P-C4'-P energy: -7.606
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: 3, replica: 8
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -138.190906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.190906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.190906 (E_RNA)
where:
Base-Base interactions energy: -94.318
where: short stacking energy: -44.226
Base-Backbone interact. energy: -1.254
local terms energy: -42.619216
where:
bonds (distance) C4'-P energy: -9.601
bonds (distance) P-C4' energy: -8.394
flat angles C4'-P-C4' energy: -9.191
flat angles P-C4'-P energy: -7.352
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: 4, replica: 5
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -132.924947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.924947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.924947 (E_RNA)
where:
Base-Base interactions energy: -93.028
where: short stacking energy: -41.812
Base-Backbone interact. energy: -0.044
local terms energy: -39.852996
where:
bonds (distance) C4'-P energy: -3.319
bonds (distance) P-C4' energy: -10.088
flat angles C4'-P-C4' energy: -9.003
flat angles P-C4'-P energy: -6.209
tors. eta vs tors. theta energy: -11.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -133.744609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.744609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.744609 (E_RNA)
where:
Base-Base interactions energy: -93.202
where: short stacking energy: -44.465
Base-Backbone interact. energy: -0.052
local terms energy: -40.490009
where:
bonds (distance) C4'-P energy: -8.489
bonds (distance) P-C4' energy: -8.042
flat angles C4'-P-C4' energy: -9.940
flat angles P-C4'-P energy: -3.752
tors. eta vs tors. theta energy: -10.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -134.196880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.196880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.196880 (E_RNA)
where:
Base-Base interactions energy: -92.473
where: short stacking energy: -42.503
Base-Backbone interact. energy: -0.023
local terms energy: -41.700922
where:
bonds (distance) C4'-P energy: -8.141
bonds (distance) P-C4' energy: -11.360
flat angles C4'-P-C4' energy: -9.961
flat angles P-C4'-P energy: -4.368
tors. eta vs tors. theta energy: -7.870
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: 7
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -126.746493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.746493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.746493 (E_RNA)
where:
Base-Base interactions energy: -88.410
where: short stacking energy: -38.599
Base-Backbone interact. energy: -1.400
local terms energy: -36.935800
where:
bonds (distance) C4'-P energy: -9.121
bonds (distance) P-C4' energy: -5.956
flat angles C4'-P-C4' energy: -7.302
flat angles P-C4'-P energy: -4.703
tors. eta vs tors. theta energy: -9.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -63.293834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.293834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.293834 (E_RNA)
where:
Base-Base interactions energy: -27.896
where: short stacking energy: -27.896
Base-Backbone interact. energy: -0.019
local terms energy: -35.378971
where:
bonds (distance) C4'-P energy: -5.677
bonds (distance) P-C4' energy: -10.404
flat angles C4'-P-C4' energy: -7.918
flat angles P-C4'-P energy: -7.996
tors. eta vs tors. theta energy: -3.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -72.842409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.842409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.842409 (E_RNA)
where:
Base-Base interactions energy: -36.712
where: short stacking energy: -34.094
Base-Backbone interact. energy: -0.013
local terms energy: -36.116503
where:
bonds (distance) C4'-P energy: -7.242
bonds (distance) P-C4' energy: -7.756
flat angles C4'-P-C4' energy: -7.185
flat angles P-C4'-P energy: -6.717
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: 10, replica: 6
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -52.619786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.619786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.619786 (E_RNA)
where:
Base-Base interactions energy: -20.738
where: short stacking energy: -15.675
Base-Backbone interact. energy: -0.143
local terms energy: -31.738627
where:
bonds (distance) C4'-P energy: -5.941
bonds (distance) P-C4' energy: -10.010
flat angles C4'-P-C4' energy: -9.965
flat angles P-C4'-P energy: -5.778
tors. eta vs tors. theta energy: -0.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -141.269869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.269869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.269869 (E_RNA)
where:
Base-Base interactions energy: -96.780
where: short stacking energy: -45.716
Base-Backbone interact. energy: -0.010
local terms energy: -44.480138
where:
bonds (distance) C4'-P energy: -10.401
bonds (distance) P-C4' energy: -8.727
flat angles C4'-P-C4' energy: -9.603
flat angles P-C4'-P energy: -5.207
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: 2, replica: 8
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -140.397441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.397441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.397441 (E_RNA)
where:
Base-Base interactions energy: -101.295
where: short stacking energy: -43.047
Base-Backbone interact. energy: -0.124
local terms energy: -38.978577
where:
bonds (distance) C4'-P energy: -7.798
bonds (distance) P-C4' energy: -9.042
flat angles C4'-P-C4' energy: -8.825
flat angles P-C4'-P energy: -2.873
tors. eta vs tors. theta energy: -10.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -143.810643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.810643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.810643 (E_RNA)
where:
Base-Base interactions energy: -105.401
where: short stacking energy: -42.482
Base-Backbone interact. energy: -0.001
local terms energy: -38.408956
where:
bonds (distance) C4'-P energy: -8.800
bonds (distance) P-C4' energy: -7.269
flat angles C4'-P-C4' energy: -9.516
flat angles P-C4'-P energy: -2.792
tors. eta vs tors. theta energy: -10.033
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: 393
Temperature: 1.050000
Total energy: -137.003691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.003691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.003691 (E_RNA)
where:
Base-Base interactions energy: -90.160
where: short stacking energy: -37.363
Base-Backbone interact. energy: -0.364
local terms energy: -46.480024
where:
bonds (distance) C4'-P energy: -9.627
bonds (distance) P-C4' energy: -11.134
flat angles C4'-P-C4' energy: -10.182
flat angles P-C4'-P energy: -4.631
tors. eta vs tors. theta energy: -10.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -135.367927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.367927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.367927 (E_RNA)
where:
Base-Base interactions energy: -88.138
where: short stacking energy: -41.493
Base-Backbone interact. energy: -0.433
local terms energy: -46.796778
where:
bonds (distance) C4'-P energy: -8.924
bonds (distance) P-C4' energy: -10.578
flat angles C4'-P-C4' energy: -8.671
flat angles P-C4'-P energy: -7.744
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: 7
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -130.554442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.554442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.554442 (E_RNA)
where:
Base-Base interactions energy: -87.192
where: short stacking energy: -43.835
Base-Backbone interact. energy: -0.014
local terms energy: -43.348245
where:
bonds (distance) C4'-P energy: -9.921
bonds (distance) P-C4' energy: -9.475
flat angles C4'-P-C4' energy: -7.851
flat angles P-C4'-P energy: -6.799
tors. eta vs tors. theta energy: -9.303
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: 7, replica: 10
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -122.346865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.346865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.346865 (E_RNA)
where:
Base-Base interactions energy: -84.626
where: short stacking energy: -37.477
Base-Backbone interact. energy: -0.042
local terms energy: -37.678175
where:
bonds (distance) C4'-P energy: -10.330
bonds (distance) P-C4' energy: -5.078
flat angles C4'-P-C4' energy: -7.624
flat angles P-C4'-P energy: -3.840
tors. eta vs tors. theta energy: -10.805
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: 8, replica: 9
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -72.178590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.178590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.178590 (E_RNA)
where:
Base-Base interactions energy: -36.917
where: short stacking energy: -31.923
Base-Backbone interact. energy: -0.013
local terms energy: -35.248116
where:
bonds (distance) C4'-P energy: -5.308
bonds (distance) P-C4' energy: -9.042
flat angles C4'-P-C4' energy: -10.474
flat angles P-C4'-P energy: -4.549
tors. eta vs tors. theta energy: -5.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -63.049679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.049679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.049679 (E_RNA)
where:
Base-Base interactions energy: -28.573
where: short stacking energy: -28.573
Base-Backbone interact. energy: -0.008
local terms energy: -34.469051
where:
bonds (distance) C4'-P energy: -7.486
bonds (distance) P-C4' energy: -3.026
flat angles C4'-P-C4' energy: -8.623
flat angles P-C4'-P energy: -6.540
tors. eta vs tors. theta energy: -8.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -62.056387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.056387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.056387 (E_RNA)
where:
Base-Base interactions energy: -26.892
where: short stacking energy: -26.892
Base-Backbone interact. energy: -0.151
local terms energy: -35.012910
where:
bonds (distance) C4'-P energy: -7.552
bonds (distance) P-C4' energy: -7.416
flat angles C4'-P-C4' energy: -8.833
flat angles P-C4'-P energy: -6.483
tors. eta vs tors. theta energy: -4.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -139.601204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.601204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.601204 (E_RNA)
where:
Base-Base interactions energy: -96.106
where: short stacking energy: -42.023
Base-Backbone interact. energy: -0.005
local terms energy: -43.489869
where:
bonds (distance) C4'-P energy: -8.952
bonds (distance) P-C4' energy: -8.274
flat angles C4'-P-C4' energy: -8.260
flat angles P-C4'-P energy: -6.365
tors. eta vs tors. theta energy: -11.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -140.593531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.593531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.593531 (E_RNA)
where:
Base-Base interactions energy: -99.815
where: short stacking energy: -42.947
Base-Backbone interact. energy: -0.001
local terms energy: -40.777159
where:
bonds (distance) C4'-P energy: -3.808
bonds (distance) P-C4' energy: -10.845
flat angles C4'-P-C4' energy: -10.800
flat angles P-C4'-P energy: -5.570
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: 3, replica: 1
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -142.717188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.717188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.717188 (E_RNA)
where:
Base-Base interactions energy: -96.139
where: short stacking energy: -44.246
Base-Backbone interact. energy: -0.030
local terms energy: -46.547489
where:
bonds (distance) C4'-P energy: -8.393
bonds (distance) P-C4' energy: -10.680
flat angles C4'-P-C4' energy: -10.523
flat angles P-C4'-P energy: -6.324
tors. eta vs tors. theta energy: -10.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -129.282609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.282609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.282609 (E_RNA)
where:
Base-Base interactions energy: -86.593
where: short stacking energy: -33.694
Base-Backbone interact. energy: -0.002
local terms energy: -42.687545
where:
bonds (distance) C4'-P energy: -10.508
bonds (distance) P-C4' energy: -7.579
flat angles C4'-P-C4' energy: -10.402
flat angles P-C4'-P energy: -6.945
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: 5, replica: 5
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -134.949897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.949897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.949897 (E_RNA)
where:
Base-Base interactions energy: -91.544
where: short stacking energy: -35.076
Base-Backbone interact. energy: -0.000
local terms energy: -43.405373
where:
bonds (distance) C4'-P energy: -7.673
bonds (distance) P-C4' energy: -9.091
flat angles C4'-P-C4' energy: -9.761
flat angles P-C4'-P energy: -4.937
tors. eta vs tors. theta energy: -11.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -134.182676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.182676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.182676 (E_RNA)
where:
Base-Base interactions energy: -89.016
where: short stacking energy: -44.406
Base-Backbone interact. energy: -1.256
local terms energy: -43.910901
where:
bonds (distance) C4'-P energy: -9.060
bonds (distance) P-C4' energy: -11.131
flat angles C4'-P-C4' energy: -7.541
flat angles P-C4'-P energy: -7.515
tors. eta vs tors. theta energy: -8.664
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: 10
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -122.480168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.480168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.480168 (E_RNA)
where:
Base-Base interactions energy: -82.771
where: short stacking energy: -36.994
Base-Backbone interact. energy: -0.501
local terms energy: -39.207883
where:
bonds (distance) C4'-P energy: -8.749
bonds (distance) P-C4' energy: -7.302
flat angles C4'-P-C4' energy: -8.587
flat angles P-C4'-P energy: -5.693
tors. eta vs tors. theta energy: -8.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -71.478079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.478079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.478079 (E_RNA)
where:
Base-Base interactions energy: -35.828
where: short stacking energy: -33.753
Base-Backbone interact. energy: -0.114
local terms energy: -35.536003
where:
bonds (distance) C4'-P energy: -9.619
bonds (distance) P-C4' energy: -9.563
flat angles C4'-P-C4' energy: -6.127
flat angles P-C4'-P energy: -3.519
tors. eta vs tors. theta energy: -6.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -58.549652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.549652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.549652 (E_RNA)
where:
Base-Base interactions energy: -26.967
where: short stacking energy: -23.901
Base-Backbone interact. energy: -0.004
local terms energy: -31.579070
where:
bonds (distance) C4'-P energy: -5.582
bonds (distance) P-C4' energy: -6.586
flat angles C4'-P-C4' energy: -9.646
flat angles P-C4'-P energy: -4.544
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: 10, replica: 2
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -65.845719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.845719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.845719 (E_RNA)
where:
Base-Base interactions energy: -40.554
where: short stacking energy: -24.083
Base-Backbone interact. energy: -0.304
local terms energy: -24.987943
where:
bonds (distance) C4'-P energy: -3.574
bonds (distance) P-C4' energy: -8.880
flat angles C4'-P-C4' energy: -8.041
flat angles P-C4'-P energy: -1.102
tors. eta vs tors. theta energy: -3.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -143.833267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.833267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.833267 (E_RNA)
where:
Base-Base interactions energy: -96.581
where: short stacking energy: -45.793
Base-Backbone interact. energy: -1.470
local terms energy: -45.782315
where:
bonds (distance) C4'-P energy: -9.937
bonds (distance) P-C4' energy: -9.175
flat angles C4'-P-C4' energy: -7.662
flat angles P-C4'-P energy: -7.976
tors. eta vs tors. theta energy: -11.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -141.493233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.493233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.493233 (E_RNA)
where:
Base-Base interactions energy: -92.998
where: short stacking energy: -44.383
Base-Backbone interact. energy: -1.210
local terms energy: -47.284958
where:
bonds (distance) C4'-P energy: -7.966
bonds (distance) P-C4' energy: -9.520
flat angles C4'-P-C4' energy: -10.910
flat angles P-C4'-P energy: -7.899
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: 3, replica: 1
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -144.638409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.638409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.638409 (E_RNA)
where:
Base-Base interactions energy: -105.777
where: short stacking energy: -42.034
Base-Backbone interact. energy: -0.008
local terms energy: -38.853626
where:
bonds (distance) C4'-P energy: -9.042
bonds (distance) P-C4' energy: -9.743
flat angles C4'-P-C4' energy: -7.725
flat angles P-C4'-P energy: -2.059
tors. eta vs tors. theta energy: -10.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -140.188318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.188318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.188318 (E_RNA)
where:
Base-Base interactions energy: -94.032
where: short stacking energy: -44.096
Base-Backbone interact. energy: -0.579
local terms energy: -45.577065
where:
bonds (distance) C4'-P energy: -9.229
bonds (distance) P-C4' energy: -7.791
flat angles C4'-P-C4' energy: -8.952
flat angles P-C4'-P energy: -8.864
tors. eta vs tors. theta energy: -10.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -134.657434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.657434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.657434 (E_RNA)
where:
Base-Base interactions energy: -91.820
where: short stacking energy: -42.676
Base-Backbone interact. energy: -1.129
local terms energy: -41.708594
where:
bonds (distance) C4'-P energy: -6.476
bonds (distance) P-C4' energy: -9.315
flat angles C4'-P-C4' energy: -9.413
flat angles P-C4'-P energy: -6.540
tors. eta vs tors. theta energy: -9.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -132.993875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.993875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.993875 (E_RNA)
where:
Base-Base interactions energy: -95.205
where: short stacking energy: -46.191
Base-Backbone interact. energy: 0.627
local terms energy: -38.416507
where:
bonds (distance) C4'-P energy: -8.624
bonds (distance) P-C4' energy: -7.889
flat angles C4'-P-C4' energy: -7.883
flat angles P-C4'-P energy: -4.050
tors. eta vs tors. theta energy: -9.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -131.370500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.370500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.370500 (E_RNA)
where:
Base-Base interactions energy: -95.436
where: short stacking energy: -46.088
Base-Backbone interact. energy: -0.114
local terms energy: -35.821054
where:
bonds (distance) C4'-P energy: -4.513
bonds (distance) P-C4' energy: -8.376
flat angles C4'-P-C4' energy: -9.233
flat angles P-C4'-P energy: -4.069
tors. eta vs tors. theta energy: -9.629
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: 9
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -73.460471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.460471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.460471 (E_RNA)
where:
Base-Base interactions energy: -44.240
where: short stacking energy: -25.107
Base-Backbone interact. energy: -0.272
local terms energy: -28.947756
where:
bonds (distance) C4'-P energy: -6.928
bonds (distance) P-C4' energy: -7.805
flat angles C4'-P-C4' energy: -4.680
flat angles P-C4'-P energy: -5.433
tors. eta vs tors. theta energy: -4.102
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: 6
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -67.566643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.566643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.566643 (E_RNA)
where:
Base-Base interactions energy: -31.656
where: short stacking energy: -29.284
Base-Backbone interact. energy: -0.003
local terms energy: -35.907840
where:
bonds (distance) C4'-P energy: -8.687
bonds (distance) P-C4' energy: -4.836
flat angles C4'-P-C4' energy: -8.643
flat angles P-C4'-P energy: -7.357
tors. eta vs tors. theta energy: -6.384
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: 395
Temperature: 1.350000
Total energy: -53.123040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.123040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.123040 (E_RNA)
where:
Base-Base interactions energy: -22.685
where: short stacking energy: -22.685
Base-Backbone interact. energy: -0.012
local terms energy: -30.426324
where:
bonds (distance) C4'-P energy: -7.151
bonds (distance) P-C4' energy: -7.883
flat angles C4'-P-C4' energy: -6.973
flat angles P-C4'-P energy: -4.030
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: 3
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -142.208278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.208278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.208278 (E_RNA)
where:
Base-Base interactions energy: -98.128
where: short stacking energy: -45.022
Base-Backbone interact. energy: -1.530
local terms energy: -42.549866
where:
bonds (distance) C4'-P energy: -9.307
bonds (distance) P-C4' energy: -7.512
flat angles C4'-P-C4' energy: -8.461
flat angles P-C4'-P energy: -6.689
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: 2, replica: 8
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -147.471755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.471755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.471755 (E_RNA)
where:
Base-Base interactions energy: -97.821
where: short stacking energy: -45.495
Base-Backbone interact. energy: -2.275
local terms energy: -47.375986
where:
bonds (distance) C4'-P energy: -9.767
bonds (distance) P-C4' energy: -9.317
flat angles C4'-P-C4' energy: -8.467
flat angles P-C4'-P energy: -8.279
tors. eta vs tors. theta energy: -11.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -148.129681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.129681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.129681 (E_RNA)
where:
Base-Base interactions energy: -107.658
where: short stacking energy: -40.434
Base-Backbone interact. energy: -0.076
local terms energy: -40.395939
where:
bonds (distance) C4'-P energy: -8.571
bonds (distance) P-C4' energy: -9.647
flat angles C4'-P-C4' energy: -9.518
flat angles P-C4'-P energy: -3.203
tors. eta vs tors. theta energy: -9.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -132.442342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.442342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.442342 (E_RNA)
where:
Base-Base interactions energy: -88.370
where: short stacking energy: -39.252
Base-Backbone interact. energy: -0.001
local terms energy: -44.070949
where:
bonds (distance) C4'-P energy: -7.470
bonds (distance) P-C4' energy: -9.827
flat angles C4'-P-C4' energy: -11.317
flat angles P-C4'-P energy: -6.232
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: 5, replica: 10
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -141.609593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.609593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.609593 (E_RNA)
where:
Base-Base interactions energy: -99.673
where: short stacking energy: -47.333
Base-Backbone interact. energy: -0.754
local terms energy: -41.182831
where:
bonds (distance) C4'-P energy: -5.421
bonds (distance) P-C4' energy: -10.331
flat angles C4'-P-C4' energy: -9.442
flat angles P-C4'-P energy: -7.725
tors. eta vs tors. theta energy: -8.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -132.260262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.260262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.260262 (E_RNA)
where:
Base-Base interactions energy: -90.457
where: short stacking energy: -42.533
Base-Backbone interact. energy: -0.002
local terms energy: -41.800909
where:
bonds (distance) C4'-P energy: -7.081
bonds (distance) P-C4' energy: -10.859
flat angles C4'-P-C4' energy: -9.935
flat angles P-C4'-P energy: -4.022
tors. eta vs tors. theta energy: -9.905
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: 9
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -73.172361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.172361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.172361 (E_RNA)
where:
Base-Base interactions energy: -32.531
where: short stacking energy: -24.105
Base-Backbone interact. energy: -0.078
local terms energy: -40.563342
where:
bonds (distance) C4'-P energy: -9.299
bonds (distance) P-C4' energy: -10.175
flat angles C4'-P-C4' energy: -8.907
flat angles P-C4'-P energy: -5.868
tors. eta vs tors. theta energy: -6.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -134.272923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.272923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.272923 (E_RNA)
where:
Base-Base interactions energy: -92.045
where: short stacking energy: -41.960
Base-Backbone interact. energy: -1.445
local terms energy: -40.782551
where:
bonds (distance) C4'-P energy: -9.192
bonds (distance) P-C4' energy: -9.767
flat angles C4'-P-C4' energy: -8.121
flat angles P-C4'-P energy: -2.867
tors. eta vs tors. theta energy: -10.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -72.861434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.861434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.861434 (E_RNA)
where:
Base-Base interactions energy: -33.496
where: short stacking energy: -33.496
Base-Backbone interact. energy: -0.003
local terms energy: -39.362363
where:
bonds (distance) C4'-P energy: -9.609
bonds (distance) P-C4' energy: -9.768
flat angles C4'-P-C4' energy: -6.135
flat angles P-C4'-P energy: -5.322
tors. eta vs tors. theta energy: -8.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -54.896576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.896576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.896576 (E_RNA)
where:
Base-Base interactions energy: -24.445
where: short stacking energy: -20.447
Base-Backbone interact. energy: -0.014
local terms energy: -30.436855
where:
bonds (distance) C4'-P energy: -7.744
bonds (distance) P-C4' energy: -8.628
flat angles C4'-P-C4' energy: -7.626
flat angles P-C4'-P energy: -4.765
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: 1, replica: 3
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -142.882692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.882692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.882692 (E_RNA)
where:
Base-Base interactions energy: -97.816
where: short stacking energy: -45.882
Base-Backbone interact. energy: -0.880
local terms energy: -44.186732
where:
bonds (distance) C4'-P energy: -6.993
bonds (distance) P-C4' energy: -10.584
flat angles C4'-P-C4' energy: -8.383
flat angles P-C4'-P energy: -8.823
tors. eta vs tors. theta energy: -9.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -148.768651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.768651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.768651 (E_RNA)
where:
Base-Base interactions energy: -108.685
where: short stacking energy: -40.742
Base-Backbone interact. energy: -0.007
local terms energy: -40.076457
where:
bonds (distance) C4'-P energy: -8.952
bonds (distance) P-C4' energy: -9.812
flat angles C4'-P-C4' energy: -7.471
flat angles P-C4'-P energy: -4.993
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: 3, replica: 8
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -138.173688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.173688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.173688 (E_RNA)
where:
Base-Base interactions energy: -94.476
where: short stacking energy: -44.713
Base-Backbone interact. energy: -0.019
local terms energy: -43.679369
where:
bonds (distance) C4'-P energy: -7.520
bonds (distance) P-C4' energy: -10.873
flat angles C4'-P-C4' energy: -9.747
flat angles P-C4'-P energy: -7.749
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: 4, replica: 10
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -138.026121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.026121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.026121 (E_RNA)
where:
Base-Base interactions energy: -90.895
where: short stacking energy: -40.616
Base-Backbone interact. energy: -0.901
local terms energy: -46.230893
where:
bonds (distance) C4'-P energy: -7.471
bonds (distance) P-C4' energy: -10.612
flat angles C4'-P-C4' energy: -10.636
flat angles P-C4'-P energy: -7.903
tors. eta vs tors. theta energy: -9.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -131.494096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.494096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.494096 (E_RNA)
where:
Base-Base interactions energy: -93.004
where: short stacking energy: -43.792
Base-Backbone interact. energy: -0.830
local terms energy: -37.660539
where:
bonds (distance) C4'-P energy: -8.232
bonds (distance) P-C4' energy: -7.975
flat angles C4'-P-C4' energy: -8.051
flat angles P-C4'-P energy: -4.166
tors. eta vs tors. theta energy: -9.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -135.176266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.176266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.176266 (E_RNA)
where:
Base-Base interactions energy: -88.024
where: short stacking energy: -41.420
Base-Backbone interact. energy: -0.000
local terms energy: -47.151712
where:
bonds (distance) C4'-P energy: -8.828
bonds (distance) P-C4' energy: -10.665
flat angles C4'-P-C4' energy: -10.539
flat angles P-C4'-P energy: -6.422
tors. eta vs tors. theta energy: -10.697
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: 9
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -72.464951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.464951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.464951 (E_RNA)
where:
Base-Base interactions energy: -30.696
where: short stacking energy: -26.250
Base-Backbone interact. energy: -0.003
local terms energy: -41.766865
where:
bonds (distance) C4'-P energy: -9.017
bonds (distance) P-C4' energy: -9.591
flat angles C4'-P-C4' energy: -9.076
flat angles P-C4'-P energy: -7.980
tors. eta vs tors. theta energy: -6.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -64.721398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.721398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.721398 (E_RNA)
where:
Base-Base interactions energy: -34.226
where: short stacking energy: -29.765
Base-Backbone interact. energy: -0.093
local terms energy: -30.402954
where:
bonds (distance) C4'-P energy: -6.972
bonds (distance) P-C4' energy: -8.429
flat angles C4'-P-C4' energy: -8.571
flat angles P-C4'-P energy: -1.999
tors. eta vs tors. theta energy: -4.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -126.926154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.926154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.926154 (E_RNA)
where:
Base-Base interactions energy: -86.162
where: short stacking energy: -37.323
Base-Backbone interact. energy: -1.018
local terms energy: -39.745843
where:
bonds (distance) C4'-P energy: -9.644
bonds (distance) P-C4' energy: -5.793
flat angles C4'-P-C4' energy: -9.702
flat angles P-C4'-P energy: -6.265
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: 10, replica: 2
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -56.516247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.516247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.516247 (E_RNA)
where:
Base-Base interactions energy: -24.197
where: short stacking energy: -24.197
Base-Backbone interact. energy: -0.060
local terms energy: -32.259778
where:
bonds (distance) C4'-P energy: -6.046
bonds (distance) P-C4' energy: -7.567
flat angles C4'-P-C4' energy: -10.667
flat angles P-C4'-P energy: -4.971
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: 1, replica: 1
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -144.218830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.218830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.218830 (E_RNA)
where:
Base-Base interactions energy: -97.975
where: short stacking energy: -46.130
Base-Backbone interact. energy: -0.009
local terms energy: -46.234506
where:
bonds (distance) C4'-P energy: -9.018
bonds (distance) P-C4' energy: -10.451
flat angles C4'-P-C4' energy: -9.863
flat angles P-C4'-P energy: -6.338
tors. eta vs tors. theta energy: -10.565
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: 3
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -139.916509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.916509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.916509 (E_RNA)
where:
Base-Base interactions energy: -96.067
where: short stacking energy: -44.554
Base-Backbone interact. energy: -0.782
local terms energy: -43.066882
where:
bonds (distance) C4'-P energy: -9.130
bonds (distance) P-C4' energy: -8.791
flat angles C4'-P-C4' energy: -7.854
flat angles P-C4'-P energy: -7.167
tors. eta vs tors. theta energy: -10.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -138.091959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.091959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.091959 (E_RNA)
where:
Base-Base interactions energy: -93.599
where: short stacking energy: -42.572
Base-Backbone interact. energy: -0.018
local terms energy: -44.475058
where:
bonds (distance) C4'-P energy: -9.237
bonds (distance) P-C4' energy: -10.404
flat angles C4'-P-C4' energy: -8.339
flat angles P-C4'-P energy: -6.415
tors. eta vs tors. theta energy: -10.079
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: 4, replica: 8
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -134.960537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.960537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.960537 (E_RNA)
where:
Base-Base interactions energy: -98.559
where: short stacking energy: -39.355
Base-Backbone interact. energy: -0.015
local terms energy: -36.386307
where:
bonds (distance) C4'-P energy: -9.059
bonds (distance) P-C4' energy: -9.436
flat angles C4'-P-C4' energy: -9.873
flat angles P-C4'-P energy: -0.118
tors. eta vs tors. theta energy: -7.901
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: 4
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -138.799387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.799387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.799387 (E_RNA)
where:
Base-Base interactions energy: -104.885
where: short stacking energy: -47.528
Base-Backbone interact. energy: -0.025
local terms energy: -33.889238
where:
bonds (distance) C4'-P energy: -9.092
bonds (distance) P-C4' energy: -5.716
flat angles C4'-P-C4' energy: -8.176
flat angles P-C4'-P energy: -0.847
tors. eta vs tors. theta energy: -10.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -135.739221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.739221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.739221 (E_RNA)
where:
Base-Base interactions energy: -91.587
where: short stacking energy: -43.058
Base-Backbone interact. energy: -1.701
local terms energy: -42.450762
where:
bonds (distance) C4'-P energy: -7.975
bonds (distance) P-C4' energy: -10.680
flat angles C4'-P-C4' energy: -6.275
flat angles P-C4'-P energy: -5.994
tors. eta vs tors. theta energy: -11.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -74.230211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.230211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.230211 (E_RNA)
where:
Base-Base interactions energy: -34.872
where: short stacking energy: -34.872
Base-Backbone interact. energy: -0.000
local terms energy: -39.358250
where:
bonds (distance) C4'-P energy: -9.296
bonds (distance) P-C4' energy: -5.931
flat angles C4'-P-C4' energy: -9.933
flat angles P-C4'-P energy: -5.867
tors. eta vs tors. theta energy: -8.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -67.923298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.923298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.923298 (E_RNA)
where:
Base-Base interactions energy: -39.918
where: short stacking energy: -22.163
Base-Backbone interact. energy: 1.939
local terms energy: -29.944743
where:
bonds (distance) C4'-P energy: -7.610
bonds (distance) P-C4' energy: -9.524
flat angles C4'-P-C4' energy: -4.994
flat angles P-C4'-P energy: -7.680
tors. eta vs tors. theta energy: -0.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -115.924981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.924981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.924981 (E_RNA)
where:
Base-Base interactions energy: -86.794
where: short stacking energy: -39.194
Base-Backbone interact. energy: -1.311
local terms energy: -27.820341
where:
bonds (distance) C4'-P energy: -5.478
bonds (distance) P-C4' energy: -3.319
flat angles C4'-P-C4' energy: -8.881
flat angles P-C4'-P energy: -4.932
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: 10, replica: 2
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -58.412802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.412802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.412802 (E_RNA)
where:
Base-Base interactions energy: -32.301
where: short stacking energy: -27.315
Base-Backbone interact. energy: -0.149
local terms energy: -25.962318
where:
bonds (distance) C4'-P energy: -5.366
bonds (distance) P-C4' energy: -7.777
flat angles C4'-P-C4' energy: -5.786
flat angles P-C4'-P energy: -7.542
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: 1
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -146.171745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.171745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.171745 (E_RNA)
where:
Base-Base interactions energy: -107.459
where: short stacking energy: -43.772
Base-Backbone interact. energy: -0.019
local terms energy: -38.693158
where:
bonds (distance) C4'-P energy: -7.835
bonds (distance) P-C4' energy: -9.340
flat angles C4'-P-C4' energy: -8.938
flat angles P-C4'-P energy: -4.458
tors. eta vs tors. theta energy: -8.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -139.901117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.901117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.901117 (E_RNA)
where:
Base-Base interactions energy: -95.353
where: short stacking energy: -45.971
Base-Backbone interact. energy: -0.507
local terms energy: -44.041413
where:
bonds (distance) C4'-P energy: -9.751
bonds (distance) P-C4' energy: -10.137
flat angles C4'-P-C4' energy: -9.318
flat angles P-C4'-P energy: -4.762
tors. eta vs tors. theta energy: -10.074
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: 3
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -142.087816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.087816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.087816 (E_RNA)
where:
Base-Base interactions energy: -94.451
where: short stacking energy: -44.290
Base-Backbone interact. energy: -1.195
local terms energy: -46.441610
where:
bonds (distance) C4'-P energy: -8.261
bonds (distance) P-C4' energy: -10.634
flat angles C4'-P-C4' energy: -8.205
flat angles P-C4'-P energy: -7.658
tors. eta vs tors. theta energy: -11.684
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: 8
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -134.360621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.360621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.360621 (E_RNA)
where:
Base-Base interactions energy: -91.553
where: short stacking energy: -45.474
Base-Backbone interact. energy: -0.854
local terms energy: -41.953553
where:
bonds (distance) C4'-P energy: -9.307
bonds (distance) P-C4' energy: -8.653
flat angles C4'-P-C4' energy: -8.946
flat angles P-C4'-P energy: -6.084
tors. eta vs tors. theta energy: -8.963
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: 4
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -132.576964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.576964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.576964 (E_RNA)
where:
Base-Base interactions energy: -87.425
where: short stacking energy: -41.442
Base-Backbone interact. energy: -0.002
local terms energy: -45.149967
where:
bonds (distance) C4'-P energy: -9.271
bonds (distance) P-C4' energy: -10.641
flat angles C4'-P-C4' energy: -9.435
flat angles P-C4'-P energy: -6.555
tors. eta vs tors. theta energy: -9.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -135.790128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.790128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.790128 (E_RNA)
where:
Base-Base interactions energy: -91.618
where: short stacking energy: -44.234
Base-Backbone interact. energy: -0.042
local terms energy: -44.130698
where:
bonds (distance) C4'-P energy: -10.045
bonds (distance) P-C4' energy: -9.883
flat angles C4'-P-C4' energy: -7.806
flat angles P-C4'-P energy: -6.975
tors. eta vs tors. theta energy: -9.422
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: 7, replica: 6
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -91.407928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.407928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.407928 (E_RNA)
where:
Base-Base interactions energy: -51.361
where: short stacking energy: -38.739
Base-Backbone interact. energy: -0.484
local terms energy: -39.563290
where:
bonds (distance) C4'-P energy: -6.837
bonds (distance) P-C4' energy: -9.259
flat angles C4'-P-C4' energy: -6.936
flat angles P-C4'-P energy: -7.166
tors. eta vs tors. theta energy: -9.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -68.325637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.325637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.325637 (E_RNA)
where:
Base-Base interactions energy: -32.502
where: short stacking energy: -27.692
Base-Backbone interact. energy: -0.064
local terms energy: -35.759219
where:
bonds (distance) C4'-P energy: -7.391
bonds (distance) P-C4' energy: -9.739
flat angles C4'-P-C4' energy: -8.492
flat angles P-C4'-P energy: -5.215
tors. eta vs tors. theta energy: -4.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -93.400200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.400200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.400200 (E_RNA)
where:
Base-Base interactions energy: -54.182
where: short stacking energy: -36.311
Base-Backbone interact. energy: -0.152
local terms energy: -39.066065
where:
bonds (distance) C4'-P energy: -8.231
bonds (distance) P-C4' energy: -9.950
flat angles C4'-P-C4' energy: -7.665
flat angles P-C4'-P energy: -5.931
tors. eta vs tors. theta energy: -7.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -54.739350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.739350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.739350 (E_RNA)
where:
Base-Base interactions energy: -20.833
where: short stacking energy: -20.833
Base-Backbone interact. energy: -0.003
local terms energy: -33.903968
where:
bonds (distance) C4'-P energy: -9.531
bonds (distance) P-C4' energy: -10.634
flat angles C4'-P-C4' energy: -7.277
flat angles P-C4'-P energy: -3.340
tors. eta vs tors. theta energy: -3.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -143.679533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.679533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.679533 (E_RNA)
where:
Base-Base interactions energy: -96.299
where: short stacking energy: -44.615
Base-Backbone interact. energy: -1.177
local terms energy: -46.203499
where:
bonds (distance) C4'-P energy: -9.280
bonds (distance) P-C4' energy: -9.901
flat angles C4'-P-C4' energy: -9.085
flat angles P-C4'-P energy: -6.788
tors. eta vs tors. theta energy: -11.151
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: 2, replica: 1
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -141.236378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.236378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.236378 (E_RNA)
where:
Base-Base interactions energy: -94.367
where: short stacking energy: -44.585
Base-Backbone interact. energy: -0.367
local terms energy: -46.501859
where:
bonds (distance) C4'-P energy: -10.649
bonds (distance) P-C4' energy: -9.897
flat angles C4'-P-C4' energy: -10.181
flat angles P-C4'-P energy: -7.124
tors. eta vs tors. theta energy: -8.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -137.657510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.657510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.657510 (E_RNA)
where:
Base-Base interactions energy: -94.060
where: short stacking energy: -45.292
Base-Backbone interact. energy: -1.757
local terms energy: -41.840156
where:
bonds (distance) C4'-P energy: -10.223
bonds (distance) P-C4' energy: -7.772
flat angles C4'-P-C4' energy: -6.070
flat angles P-C4'-P energy: -7.436
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: 4, replica: 3
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -132.389251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.389251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.389251 (E_RNA)
where:
Base-Base interactions energy: -91.389
where: short stacking energy: -42.309
Base-Backbone interact. energy: -0.724
local terms energy: -40.276498
where:
bonds (distance) C4'-P energy: -9.457
bonds (distance) P-C4' energy: -8.072
flat angles C4'-P-C4' energy: -6.906
flat angles P-C4'-P energy: -6.177
tors. eta vs tors. theta energy: -9.664
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: 5
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -138.861328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.861328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.861328 (E_RNA)
where:
Base-Base interactions energy: -97.101
where: short stacking energy: -45.633
Base-Backbone interact. energy: -0.024
local terms energy: -41.735987
where:
bonds (distance) C4'-P energy: -7.157
bonds (distance) P-C4' energy: -8.312
flat angles C4'-P-C4' energy: -10.215
flat angles P-C4'-P energy: -6.610
tors. eta vs tors. theta energy: -9.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -135.021745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.021745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.021745 (E_RNA)
where:
Base-Base interactions energy: -90.822
where: short stacking energy: -43.226
Base-Backbone interact. energy: -1.172
local terms energy: -43.028411
where:
bonds (distance) C4'-P energy: -8.251
bonds (distance) P-C4' energy: -9.277
flat angles C4'-P-C4' energy: -9.698
flat angles P-C4'-P energy: -6.722
tors. eta vs tors. theta energy: -9.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -121.849014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.849014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.849014 (E_RNA)
where:
Base-Base interactions energy: -88.664
where: short stacking energy: -40.834
Base-Backbone interact. energy: -0.048
local terms energy: -33.137281
where:
bonds (distance) C4'-P energy: -4.133
bonds (distance) P-C4' energy: -8.522
flat angles C4'-P-C4' energy: -9.444
flat angles P-C4'-P energy: -3.413
tors. eta vs tors. theta energy: -7.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -74.177842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.177842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.177842 (E_RNA)
where:
Base-Base interactions energy: -39.621
where: short stacking energy: -36.651
Base-Backbone interact. energy: -0.090
local terms energy: -34.467302
where:
bonds (distance) C4'-P energy: -6.305
bonds (distance) P-C4' energy: -9.932
flat angles C4'-P-C4' energy: -6.269
flat angles P-C4'-P energy: -3.850
tors. eta vs tors. theta energy: -8.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -51.303299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.303299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.303299 (E_RNA)
where:
Base-Base interactions energy: -19.927
where: short stacking energy: -15.924
Base-Backbone interact. energy: -0.008
local terms energy: -31.368811
where:
bonds (distance) C4'-P energy: -8.802
bonds (distance) P-C4' energy: -8.337
flat angles C4'-P-C4' energy: -8.044
flat angles P-C4'-P energy: -7.149
tors. eta vs tors. theta energy: 0.964
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: 2
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -56.106817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.106817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.106817 (E_RNA)
where:
Base-Base interactions energy: -26.642
where: short stacking energy: -26.642
Base-Backbone interact. energy: -0.014
local terms energy: -29.451454
where:
bonds (distance) C4'-P energy: -6.562
bonds (distance) P-C4' energy: -6.026
flat angles C4'-P-C4' energy: -6.350
flat angles P-C4'-P energy: -6.718
tors. eta vs tors. theta energy: -3.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -134.342488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.342488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.342488 (E_RNA)
where:
Base-Base interactions energy: -89.942
where: short stacking energy: -38.807
Base-Backbone interact. energy: -1.915
local terms energy: -42.486209
where:
bonds (distance) C4'-P energy: -10.169
bonds (distance) P-C4' energy: -8.932
flat angles C4'-P-C4' energy: -8.963
flat angles P-C4'-P energy: -7.517
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: 2, replica: 8
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -142.562647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.562647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.562647 (E_RNA)
where:
Base-Base interactions energy: -97.902
where: short stacking energy: -46.167
Base-Backbone interact. energy: -0.238
local terms energy: -44.422143
where:
bonds (distance) C4'-P energy: -8.314
bonds (distance) P-C4' energy: -10.867
flat angles C4'-P-C4' energy: -10.716
flat angles P-C4'-P energy: -4.096
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: 3, replica: 1
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -138.794618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.794618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.794618 (E_RNA)
where:
Base-Base interactions energy: -99.267
where: short stacking energy: -41.088
Base-Backbone interact. energy: -0.073
local terms energy: -39.454357
where:
bonds (distance) C4'-P energy: -6.654
bonds (distance) P-C4' energy: -10.891
flat angles C4'-P-C4' energy: -8.412
flat angles P-C4'-P energy: -6.673
tors. eta vs tors. theta energy: -6.824
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: 4, replica: 5
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -137.368893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.368893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.368893 (E_RNA)
where:
Base-Base interactions energy: -90.321
where: short stacking energy: -45.260
Base-Backbone interact. energy: -0.381
local terms energy: -46.666759
where:
bonds (distance) C4'-P energy: -8.686
bonds (distance) P-C4' energy: -10.060
flat angles C4'-P-C4' energy: -9.073
flat angles P-C4'-P energy: -8.170
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: 5, replica: 3
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -129.455724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.455724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.455724 (E_RNA)
where:
Base-Base interactions energy: -88.802
where: short stacking energy: -42.447
Base-Backbone interact. energy: -1.149
local terms energy: -39.505435
where:
bonds (distance) C4'-P energy: -8.968
bonds (distance) P-C4' energy: -8.139
flat angles C4'-P-C4' energy: -9.122
flat angles P-C4'-P energy: -5.254
tors. eta vs tors. theta energy: -8.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -126.012268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.012268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.012268 (E_RNA)
where:
Base-Base interactions energy: -83.800
where: short stacking energy: -33.726
Base-Backbone interact. energy: -0.655
local terms energy: -41.556478
where:
bonds (distance) C4'-P energy: -9.105
bonds (distance) P-C4' energy: -9.013
flat angles C4'-P-C4' energy: -8.438
flat angles P-C4'-P energy: -7.930
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: 7, replica: 4
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -131.515659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.515659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.515659 (E_RNA)
where:
Base-Base interactions energy: -91.034
where: short stacking energy: -41.407
Base-Backbone interact. energy: -1.284
local terms energy: -39.197108
where:
bonds (distance) C4'-P energy: -7.826
bonds (distance) P-C4' energy: -9.049
flat angles C4'-P-C4' energy: -5.327
flat angles P-C4'-P energy: -6.875
tors. eta vs tors. theta energy: -10.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -71.209417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.209417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.209417 (E_RNA)
where:
Base-Base interactions energy: -39.174
where: short stacking energy: -26.321
Base-Backbone interact. energy: -0.001
local terms energy: -32.034886
where:
bonds (distance) C4'-P energy: -8.152
bonds (distance) P-C4' energy: -9.743
flat angles C4'-P-C4' energy: -4.398
flat angles P-C4'-P energy: -4.678
tors. eta vs tors. theta energy: -5.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -59.278557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.278557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.278557 (E_RNA)
where:
Base-Base interactions energy: -27.249
where: short stacking energy: -27.249
Base-Backbone interact. energy: -0.034
local terms energy: -31.995997
where:
bonds (distance) C4'-P energy: -8.286
bonds (distance) P-C4' energy: -10.215
flat angles C4'-P-C4' energy: -3.106
flat angles P-C4'-P energy: -4.833
tors. eta vs tors. theta energy: -5.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -53.807867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.807867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.807867 (E_RNA)
where:
Base-Base interactions energy: -23.829
where: short stacking energy: -21.133
Base-Backbone interact. energy: -0.110
local terms energy: -29.868435
where:
bonds (distance) C4'-P energy: -8.526
bonds (distance) P-C4' energy: -6.864
flat angles C4'-P-C4' energy: -7.682
flat angles P-C4'-P energy: -6.433
tors. eta vs tors. theta energy: -0.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -143.047124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.047124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.047124 (E_RNA)
where:
Base-Base interactions energy: -97.915
where: short stacking energy: -45.633
Base-Backbone interact. energy: -1.848
local terms energy: -43.283539
where:
bonds (distance) C4'-P energy: -5.230
bonds (distance) P-C4' energy: -11.106
flat angles C4'-P-C4' energy: -8.575
flat angles P-C4'-P energy: -7.927
tors. eta vs tors. theta energy: -10.445
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: 10
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -140.330237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.330237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.330237 (E_RNA)
where:
Base-Base interactions energy: -93.057
where: short stacking energy: -44.509
Base-Backbone interact. energy: -1.036
local terms energy: -46.237227
where:
bonds (distance) C4'-P energy: -8.137
bonds (distance) P-C4' energy: -11.134
flat angles C4'-P-C4' energy: -8.963
flat angles P-C4'-P energy: -9.047
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: 3, replica: 1
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -133.353878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.353878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.353878 (E_RNA)
where:
Base-Base interactions energy: -94.481
where: short stacking energy: -46.199
Base-Backbone interact. energy: -0.241
local terms energy: -38.631447
where:
bonds (distance) C4'-P energy: -7.288
bonds (distance) P-C4' energy: -7.558
flat angles C4'-P-C4' energy: -8.064
flat angles P-C4'-P energy: -5.007
tors. eta vs tors. theta energy: -10.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -122.783222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.783222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.783222 (E_RNA)
where:
Base-Base interactions energy: -87.865
where: short stacking energy: -37.571
Base-Backbone interact. energy: -0.316
local terms energy: -34.602534
where:
bonds (distance) C4'-P energy: -5.578
bonds (distance) P-C4' energy: -7.094
flat angles C4'-P-C4' energy: -11.011
flat angles P-C4'-P energy: -4.583
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: 5, replica: 3
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -135.189556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.189556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.189556 (E_RNA)
where:
Base-Base interactions energy: -95.128
where: short stacking energy: -44.857
Base-Backbone interact. energy: -0.902
local terms energy: -39.159861
where:
bonds (distance) C4'-P energy: -8.190
bonds (distance) P-C4' energy: -9.925
flat angles C4'-P-C4' energy: -6.866
flat angles P-C4'-P energy: -4.983
tors. eta vs tors. theta energy: -9.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -129.552429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.552429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.552429 (E_RNA)
where:
Base-Base interactions energy: -93.752
where: short stacking energy: -39.000
Base-Backbone interact. energy: -0.003
local terms energy: -35.797629
where:
bonds (distance) C4'-P energy: -9.183
bonds (distance) P-C4' energy: -4.627
flat angles C4'-P-C4' energy: -10.341
flat angles P-C4'-P energy: -6.750
tors. eta vs tors. theta energy: -4.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -131.216189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.216189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.216189 (E_RNA)
where:
Base-Base interactions energy: -92.216
where: short stacking energy: -43.918
Base-Backbone interact. energy: -0.685
local terms energy: -38.314838
where:
bonds (distance) C4'-P energy: -9.523
bonds (distance) P-C4' energy: -5.844
flat angles C4'-P-C4' energy: -9.321
flat angles P-C4'-P energy: -4.423
tors. eta vs tors. theta energy: -9.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -77.727583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.727583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.727583 (E_RNA)
where:
Base-Base interactions energy: -41.724
where: short stacking energy: -41.185
Base-Backbone interact. energy: -0.000
local terms energy: -36.003244
where:
bonds (distance) C4'-P energy: -9.369
bonds (distance) P-C4' energy: -6.312
flat angles C4'-P-C4' energy: -5.492
flat angles P-C4'-P energy: -5.132
tors. eta vs tors. theta energy: -9.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -58.220993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.220993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.220993 (E_RNA)
where:
Base-Base interactions energy: -28.807
where: short stacking energy: -20.457
Base-Backbone interact. energy: -0.069
local terms energy: -29.345391
where:
bonds (distance) C4'-P energy: -8.253
bonds (distance) P-C4' energy: -4.225
flat angles C4'-P-C4' energy: -6.961
flat angles P-C4'-P energy: -7.862
tors. eta vs tors. theta energy: -2.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -60.165198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.165198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.165198 (E_RNA)
where:
Base-Base interactions energy: -37.704
where: short stacking energy: -18.695
Base-Backbone interact. energy: -0.028
local terms energy: -22.433878
where:
bonds (distance) C4'-P energy: -6.477
bonds (distance) P-C4' energy: -8.634
flat angles C4'-P-C4' energy: -7.483
flat angles P-C4'-P energy: -0.009
tors. eta vs tors. theta energy: 0.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -139.819435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.819435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.819435 (E_RNA)
where:
Base-Base interactions energy: -96.142
where: short stacking energy: -46.134
Base-Backbone interact. energy: -1.130
local terms energy: -42.547440
where:
bonds (distance) C4'-P energy: -7.506
bonds (distance) P-C4' energy: -9.119
flat angles C4'-P-C4' energy: -7.935
flat angles P-C4'-P energy: -8.082
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: 2, replica: 10
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -142.509693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.509693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.509693 (E_RNA)
where:
Base-Base interactions energy: -97.731
where: short stacking energy: -45.050
Base-Backbone interact. energy: -0.704
local terms energy: -44.075367
where:
bonds (distance) C4'-P energy: -8.438
bonds (distance) P-C4' energy: -9.333
flat angles C4'-P-C4' energy: -9.954
flat angles P-C4'-P energy: -6.539
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: 3, replica: 1
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -147.232839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.232839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.232839 (E_RNA)
where:
Base-Base interactions energy: -106.148
where: short stacking energy: -43.660
Base-Backbone interact. energy: -0.019
local terms energy: -41.065408
where:
bonds (distance) C4'-P energy: -8.265
bonds (distance) P-C4' energy: -11.106
flat angles C4'-P-C4' energy: -9.185
flat angles P-C4'-P energy: -2.294
tors. eta vs tors. theta energy: -10.216
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: 3
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -135.490719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.490719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.490719 (E_RNA)
where:
Base-Base interactions energy: -89.731
where: short stacking energy: -42.418
Base-Backbone interact. energy: -0.977
local terms energy: -44.782299
where:
bonds (distance) C4'-P energy: -6.630
bonds (distance) P-C4' energy: -10.441
flat angles C4'-P-C4' energy: -9.983
flat angles P-C4'-P energy: -8.585
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: 5, replica: 5
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -136.447634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.447634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.447634 (E_RNA)
where:
Base-Base interactions energy: -94.763
where: short stacking energy: -44.242
Base-Backbone interact. energy: -0.540
local terms energy: -41.144949
where:
bonds (distance) C4'-P energy: -7.117
bonds (distance) P-C4' energy: -8.358
flat angles C4'-P-C4' energy: -10.374
flat angles P-C4'-P energy: -6.723
tors. eta vs tors. theta energy: -8.573
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: 6, replica: 4
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -128.214890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.214890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.214890 (E_RNA)
where:
Base-Base interactions energy: -87.779
where: short stacking energy: -35.422
Base-Backbone interact. energy: 0.134
local terms energy: -40.569954
where:
bonds (distance) C4'-P energy: -8.447
bonds (distance) P-C4' energy: -8.877
flat angles C4'-P-C4' energy: -8.216
flat angles P-C4'-P energy: -5.581
tors. eta vs tors. theta energy: -9.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -125.589362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.589362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.589362 (E_RNA)
where:
Base-Base interactions energy: -83.358
where: short stacking energy: -32.250
Base-Backbone interact. energy: -0.037
local terms energy: -42.194450
where:
bonds (distance) C4'-P energy: -7.888
bonds (distance) P-C4' energy: -11.346
flat angles C4'-P-C4' energy: -9.603
flat angles P-C4'-P energy: -7.806
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: 8, replica: 2
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -80.797168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.797168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.797168 (E_RNA)
where:
Base-Base interactions energy: -44.572
where: short stacking energy: -36.626
Base-Backbone interact. energy: -0.098
local terms energy: -36.127315
where:
bonds (distance) C4'-P energy: -9.208
bonds (distance) P-C4' energy: -9.664
flat angles C4'-P-C4' energy: -6.468
flat angles P-C4'-P energy: -3.559
tors. eta vs tors. theta energy: -7.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -117.623362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.623362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.623362 (E_RNA)
where:
Base-Base interactions energy: -82.116
where: short stacking energy: -37.277
Base-Backbone interact. energy: -0.003
local terms energy: -35.504086
where:
bonds (distance) C4'-P energy: -5.947
bonds (distance) P-C4' energy: -4.268
flat angles C4'-P-C4' energy: -10.162
flat angles P-C4'-P energy: -4.645
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: 10, replica: 7
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -54.301210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.301210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.301210 (E_RNA)
where:
Base-Base interactions energy: -23.520
where: short stacking energy: -23.520
Base-Backbone interact. energy: -0.117
local terms energy: -30.665155
where:
bonds (distance) C4'-P energy: -10.214
bonds (distance) P-C4' energy: -8.901
flat angles C4'-P-C4' energy: -1.344
flat angles P-C4'-P energy: -7.285
tors. eta vs tors. theta energy: -2.920
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: 10
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -138.518503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.518503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.518503 (E_RNA)
where:
Base-Base interactions energy: -98.523
where: short stacking energy: -49.238
Base-Backbone interact. energy: -0.002
local terms energy: -39.993677
where:
bonds (distance) C4'-P energy: -7.102
bonds (distance) P-C4' energy: -9.761
flat angles C4'-P-C4' energy: -9.381
flat angles P-C4'-P energy: -5.666
tors. eta vs tors. theta energy: -8.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -143.568654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.568654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.568654 (E_RNA)
where:
Base-Base interactions energy: -98.594
where: short stacking energy: -46.827
Base-Backbone interact. energy: -0.742
local terms energy: -44.232863
where:
bonds (distance) C4'-P energy: -8.579
bonds (distance) P-C4' energy: -7.868
flat angles C4'-P-C4' energy: -10.653
flat angles P-C4'-P energy: -7.032
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: 3, replica: 3
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -138.369793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.369793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.369793 (E_RNA)
where:
Base-Base interactions energy: -92.121
where: short stacking energy: -40.595
Base-Backbone interact. energy: -2.032
local terms energy: -44.216685
where:
bonds (distance) C4'-P energy: -6.777
bonds (distance) P-C4' energy: -9.658
flat angles C4'-P-C4' energy: -9.830
flat angles P-C4'-P energy: -7.750
tors. eta vs tors. theta energy: -10.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -147.868816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.868816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.868816 (E_RNA)
where:
Base-Base interactions energy: -107.058
where: short stacking energy: -43.954
Base-Backbone interact. energy: -0.037
local terms energy: -40.773553
where:
bonds (distance) C4'-P energy: -9.208
bonds (distance) P-C4' energy: -10.877
flat angles C4'-P-C4' energy: -8.888
flat angles P-C4'-P energy: -3.383
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: 5, replica: 4
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -135.240125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.240125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.240125 (E_RNA)
where:
Base-Base interactions energy: -87.003
where: short stacking energy: -39.510
Base-Backbone interact. energy: -0.521
local terms energy: -47.716114
where:
bonds (distance) C4'-P energy: -10.446
bonds (distance) P-C4' energy: -11.131
flat angles C4'-P-C4' energy: -10.065
flat angles P-C4'-P energy: -6.948
tors. eta vs tors. theta energy: -9.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -131.193438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.193438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.193438 (E_RNA)
where:
Base-Base interactions energy: -96.841
where: short stacking energy: -44.507
Base-Backbone interact. energy: -0.014
local terms energy: -34.338667
where:
bonds (distance) C4'-P energy: -6.694
bonds (distance) P-C4' energy: -10.616
flat angles C4'-P-C4' energy: -5.815
flat angles P-C4'-P energy: -2.845
tors. eta vs tors. theta energy: -8.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -124.477026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.477026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.477026 (E_RNA)
where:
Base-Base interactions energy: -87.395
where: short stacking energy: -37.290
Base-Backbone interact. energy: -0.294
local terms energy: -36.788128
where:
bonds (distance) C4'-P energy: -5.528
bonds (distance) P-C4' energy: -9.736
flat angles C4'-P-C4' energy: -8.052
flat angles P-C4'-P energy: -7.611
tors. eta vs tors. theta energy: -5.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -69.531679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.531679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.531679 (E_RNA)
where:
Base-Base interactions energy: -31.534
where: short stacking energy: -31.534
Base-Backbone interact. energy: -0.002
local terms energy: -37.995729
where:
bonds (distance) C4'-P energy: -6.475
bonds (distance) P-C4' energy: -9.858
flat angles C4'-P-C4' energy: -9.825
flat angles P-C4'-P energy: -6.216
tors. eta vs tors. theta energy: -5.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -111.701618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.701618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.701618 (E_RNA)
where:
Base-Base interactions energy: -79.764
where: short stacking energy: -32.472
Base-Backbone interact. energy: -0.052
local terms energy: -31.885769
where:
bonds (distance) C4'-P energy: -7.826
bonds (distance) P-C4' energy: -10.630
flat angles C4'-P-C4' energy: -5.520
flat angles P-C4'-P energy: -4.679
tors. eta vs tors. theta energy: -3.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -62.579013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.579013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.579013 (E_RNA)
where:
Base-Base interactions energy: -24.416
where: short stacking energy: -24.416
Base-Backbone interact. energy: -0.000
local terms energy: -38.162514
where:
bonds (distance) C4'-P energy: -8.400
bonds (distance) P-C4' energy: -9.905
flat angles C4'-P-C4' energy: -4.975
flat angles P-C4'-P energy: -3.655
tors. eta vs tors. theta energy: -11.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -142.554099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.554099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.554099 (E_RNA)
where:
Base-Base interactions energy: -97.683
where: short stacking energy: -45.277
Base-Backbone interact. energy: -1.799
local terms energy: -43.071793
where:
bonds (distance) C4'-P energy: -7.213
bonds (distance) P-C4' energy: -9.972
flat angles C4'-P-C4' energy: -8.786
flat angles P-C4'-P energy: -7.635
tors. eta vs tors. theta energy: -9.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -141.512872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.512872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.512872 (E_RNA)
where:
Base-Base interactions energy: -93.600
where: short stacking energy: -43.853
Base-Backbone interact. energy: -1.071
local terms energy: -46.842600
where:
bonds (distance) C4'-P energy: -9.423
bonds (distance) P-C4' energy: -9.584
flat angles C4'-P-C4' energy: -10.066
flat angles P-C4'-P energy: -7.741
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: 3, replica: 8
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -138.586409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.586409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.586409 (E_RNA)
where:
Base-Base interactions energy: -97.048
where: short stacking energy: -44.368
Base-Backbone interact. energy: -0.005
local terms energy: -41.532822
where:
bonds (distance) C4'-P energy: -7.444
bonds (distance) P-C4' energy: -10.567
flat angles C4'-P-C4' energy: -7.826
flat angles P-C4'-P energy: -4.870
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: 4, replica: 1
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -146.568937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.568937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.568937 (E_RNA)
where:
Base-Base interactions energy: -112.900
where: short stacking energy: -41.899
Base-Backbone interact. energy: -0.004
local terms energy: -33.665223
where:
bonds (distance) C4'-P energy: -7.487
bonds (distance) P-C4' energy: -7.228
flat angles C4'-P-C4' energy: -9.298
flat angles P-C4'-P energy: -1.272
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: 5, replica: 4
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -135.068255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.068255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.068255 (E_RNA)
where:
Base-Base interactions energy: -89.981
where: short stacking energy: -40.439
Base-Backbone interact. energy: -0.011
local terms energy: -45.075638
where:
bonds (distance) C4'-P energy: -7.736
bonds (distance) P-C4' energy: -7.939
flat angles C4'-P-C4' energy: -9.625
flat angles P-C4'-P energy: -8.783
tors. eta vs tors. theta energy: -10.992
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: 6, replica: 6
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -128.326546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.326546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.326546 (E_RNA)
where:
Base-Base interactions energy: -84.619
where: short stacking energy: -37.451
Base-Backbone interact. energy: -0.844
local terms energy: -42.863798
where:
bonds (distance) C4'-P energy: -9.878
bonds (distance) P-C4' energy: -10.669
flat angles C4'-P-C4' energy: -6.776
flat angles P-C4'-P energy: -6.457
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: 7, replica: 5
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -136.523018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.523018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.523018 (E_RNA)
where:
Base-Base interactions energy: -93.704
where: short stacking energy: -43.338
Base-Backbone interact. energy: -0.036
local terms energy: -42.783387
where:
bonds (distance) C4'-P energy: -9.573
bonds (distance) P-C4' energy: -9.799
flat angles C4'-P-C4' energy: -7.787
flat angles P-C4'-P energy: -6.794
tors. eta vs tors. theta energy: -8.830
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: 8, replica: 9
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -85.552493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.552493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.552493 (E_RNA)
where:
Base-Base interactions energy: -43.448
where: short stacking energy: -43.448
Base-Backbone interact. energy: -0.000
local terms energy: -42.104649
where:
bonds (distance) C4'-P energy: -7.088
bonds (distance) P-C4' energy: -10.190
flat angles C4'-P-C4' energy: -9.692
flat angles P-C4'-P energy: -3.811
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: 9, replica: 2
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -62.458559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.458559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.458559 (E_RNA)
where:
Base-Base interactions energy: -29.513
where: short stacking energy: -20.357
Base-Backbone interact. energy: 1.219
local terms energy: -34.164888
where:
bonds (distance) C4'-P energy: -8.852
bonds (distance) P-C4' energy: -8.911
flat angles C4'-P-C4' energy: -7.653
flat angles P-C4'-P energy: -3.624
tors. eta vs tors. theta energy: -5.125
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: 7
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -54.707365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.707365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.707365 (E_RNA)
where:
Base-Base interactions energy: -19.042
where: short stacking energy: -9.325
Base-Backbone interact. energy: -0.184
local terms energy: -35.481823
where:
bonds (distance) C4'-P energy: -9.466
bonds (distance) P-C4' energy: -9.954
flat angles C4'-P-C4' energy: -8.459
flat angles P-C4'-P energy: -6.138
tors. eta vs tors. theta energy: -1.465
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: 1, replica: 3
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -140.062505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.062505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.062505 (E_RNA)
where:
Base-Base interactions energy: -92.617
where: short stacking energy: -41.999
Base-Backbone interact. energy: 0.120
local terms energy: -47.565616
where:
bonds (distance) C4'-P energy: -9.404
bonds (distance) P-C4' energy: -11.339
flat angles C4'-P-C4' energy: -9.345
flat angles P-C4'-P energy: -5.931
tors. eta vs tors. theta energy: -11.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -139.816958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.816958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.816958 (E_RNA)
where:
Base-Base interactions energy: -92.609
where: short stacking energy: -43.413
Base-Backbone interact. energy: -1.609
local terms energy: -45.599447
where:
bonds (distance) C4'-P energy: -9.787
bonds (distance) P-C4' energy: -10.190
flat angles C4'-P-C4' energy: -8.832
flat angles P-C4'-P energy: -7.522
tors. eta vs tors. theta energy: -9.268
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: 1
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -136.425284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.425284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.425284 (E_RNA)
where:
Base-Base interactions energy: -101.353
where: short stacking energy: -42.674
Base-Backbone interact. energy: -0.197
local terms energy: -34.875358
where:
bonds (distance) C4'-P energy: -8.802
bonds (distance) P-C4' energy: -6.071
flat angles C4'-P-C4' energy: -9.905
flat angles P-C4'-P energy: -3.550
tors. eta vs tors. theta energy: -6.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -135.595913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.595913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.595913 (E_RNA)
where:
Base-Base interactions energy: -89.143
where: short stacking energy: -37.917
Base-Backbone interact. energy: -0.137
local terms energy: -46.315881
where:
bonds (distance) C4'-P energy: -10.400
bonds (distance) P-C4' energy: -10.659
flat angles C4'-P-C4' energy: -9.355
flat angles P-C4'-P energy: -8.185
tors. eta vs tors. theta energy: -7.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -131.744501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.744501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.744501 (E_RNA)
where:
Base-Base interactions energy: -93.763
where: short stacking energy: -43.406
Base-Backbone interact. energy: 0.588
local terms energy: -38.569827
where:
bonds (distance) C4'-P energy: -8.446
bonds (distance) P-C4' energy: -5.856
flat angles C4'-P-C4' energy: -9.859
flat angles P-C4'-P energy: -5.516
tors. eta vs tors. theta energy: -8.893
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: 4
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -130.501024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.501024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.501024 (E_RNA)
where:
Base-Base interactions energy: -87.898
where: short stacking energy: -37.499
Base-Backbone interact. energy: -0.003
local terms energy: -42.600274
where:
bonds (distance) C4'-P energy: -9.130
bonds (distance) P-C4' energy: -9.969
flat angles C4'-P-C4' energy: -8.282
flat angles P-C4'-P energy: -5.704
tors. eta vs tors. theta energy: -9.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -74.334919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.334919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.334919 (E_RNA)
where:
Base-Base interactions energy: -40.802
where: short stacking energy: -21.624
Base-Backbone interact. energy: -0.022
local terms energy: -33.510764
where:
bonds (distance) C4'-P energy: -7.539
bonds (distance) P-C4' energy: -9.929
flat angles C4'-P-C4' energy: -10.239
flat angles P-C4'-P energy: -4.989
tors. eta vs tors. theta energy: -0.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -122.998107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.998107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.998107 (E_RNA)
where:
Base-Base interactions energy: -91.140
where: short stacking energy: -32.075
Base-Backbone interact. energy: -0.012
local terms energy: -31.846187
where:
bonds (distance) C4'-P energy: -8.330
bonds (distance) P-C4' energy: -7.446
flat angles C4'-P-C4' energy: -7.879
flat angles P-C4'-P energy: -2.014
tors. eta vs tors. theta energy: -6.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -60.500008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.500008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.500008 (E_RNA)
where:
Base-Base interactions energy: -22.355
where: short stacking energy: -22.355
Base-Backbone interact. energy: -0.071
local terms energy: -38.073291
where:
bonds (distance) C4'-P energy: -7.933
bonds (distance) P-C4' energy: -9.557
flat angles C4'-P-C4' energy: -8.181
flat angles P-C4'-P energy: -7.877
tors. eta vs tors. theta energy: -4.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -72.349766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.349766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.349766 (E_RNA)
where:
Base-Base interactions energy: -33.267
where: short stacking energy: -24.140
Base-Backbone interact. energy: -0.012
local terms energy: -39.070769
where:
bonds (distance) C4'-P energy: -8.021
bonds (distance) P-C4' energy: -9.634
flat angles C4'-P-C4' energy: -9.224
flat angles P-C4'-P energy: -6.418
tors. eta vs tors. theta energy: -5.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -139.679331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.679331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.679331 (E_RNA)
where:
Base-Base interactions energy: -93.389
where: short stacking energy: -43.904
Base-Backbone interact. energy: -0.038
local terms energy: -46.252101
where:
bonds (distance) C4'-P energy: -9.213
bonds (distance) P-C4' energy: -9.824
flat angles C4'-P-C4' energy: -10.052
flat angles P-C4'-P energy: -6.942
tors. eta vs tors. theta energy: -10.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -138.882960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.882960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.882960 (E_RNA)
where:
Base-Base interactions energy: -100.296
where: short stacking energy: -40.038
Base-Backbone interact. energy: -0.005
local terms energy: -38.581638
where:
bonds (distance) C4'-P energy: -9.394
bonds (distance) P-C4' energy: -8.616
flat angles C4'-P-C4' energy: -8.500
flat angles P-C4'-P energy: -5.752
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: 10
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -131.772827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.772827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.772827 (E_RNA)
where:
Base-Base interactions energy: -88.131
where: short stacking energy: -39.888
Base-Backbone interact. energy: -0.697
local terms energy: -42.945468
where:
bonds (distance) C4'-P energy: -9.279
bonds (distance) P-C4' energy: -10.401
flat angles C4'-P-C4' energy: -8.775
flat angles P-C4'-P energy: -8.389
tors. eta vs tors. theta energy: -6.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -140.893103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.893103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.893103 (E_RNA)
where:
Base-Base interactions energy: -99.657
where: short stacking energy: -42.949
Base-Backbone interact. energy: -0.001
local terms energy: -41.235450
where:
bonds (distance) C4'-P energy: -9.217
bonds (distance) P-C4' energy: -9.289
flat angles C4'-P-C4' energy: -10.177
flat angles P-C4'-P energy: -5.036
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: 5, replica: 6
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -129.390231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.390231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.390231 (E_RNA)
where:
Base-Base interactions energy: -87.124
where: short stacking energy: -41.634
Base-Backbone interact. energy: -0.001
local terms energy: -42.265063
where:
bonds (distance) C4'-P energy: -6.029
bonds (distance) P-C4' energy: -9.824
flat angles C4'-P-C4' energy: -9.782
flat angles P-C4'-P energy: -6.730
tors. eta vs tors. theta energy: -9.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -130.889285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.889285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.889285 (E_RNA)
where:
Base-Base interactions energy: -90.544
where: short stacking energy: -42.498
Base-Backbone interact. energy: -0.013
local terms energy: -40.332894
where:
bonds (distance) C4'-P energy: -7.284
bonds (distance) P-C4' energy: -8.394
flat angles C4'-P-C4' energy: -7.868
flat angles P-C4'-P energy: -6.598
tors. eta vs tors. theta energy: -10.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -82.419311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.419311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.419311 (E_RNA)
where:
Base-Base interactions energy: -42.733
where: short stacking energy: -42.733
Base-Backbone interact. energy: -0.001
local terms energy: -39.684549
where:
bonds (distance) C4'-P energy: -9.751
bonds (distance) P-C4' energy: -9.689
flat angles C4'-P-C4' energy: -8.944
flat angles P-C4'-P energy: -4.717
tors. eta vs tors. theta energy: -6.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -129.086483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.086483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.086483 (E_RNA)
where:
Base-Base interactions energy: -85.032
where: short stacking energy: -35.552
Base-Backbone interact. energy: -0.862
local terms energy: -43.191988
where:
bonds (distance) C4'-P energy: -9.510
bonds (distance) P-C4' energy: -9.603
flat angles C4'-P-C4' energy: -7.957
flat angles P-C4'-P energy: -8.347
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: 9, replica: 7
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -63.946327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.946327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.946327 (E_RNA)
where:
Base-Base interactions energy: -32.872
where: short stacking energy: -32.872
Base-Backbone interact. energy: 1.281
local terms energy: -32.355943
where:
bonds (distance) C4'-P energy: -6.414
bonds (distance) P-C4' energy: -8.969
flat angles C4'-P-C4' energy: -7.326
flat angles P-C4'-P energy: -5.088
tors. eta vs tors. theta energy: -4.559
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: 2
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -74.102625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.102625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.102625 (E_RNA)
where:
Base-Base interactions energy: -39.622
where: short stacking energy: -39.622
Base-Backbone interact. energy: -0.000
local terms energy: -34.480488
where:
bonds (distance) C4'-P energy: -5.532
bonds (distance) P-C4' energy: -8.662
flat angles C4'-P-C4' energy: -5.819
flat angles P-C4'-P energy: -5.138
tors. eta vs tors. theta energy: -9.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -148.764863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.764863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.764863 (E_RNA)
where:
Base-Base interactions energy: -108.252
where: short stacking energy: -42.002
Base-Backbone interact. energy: -0.004
local terms energy: -40.508581
where:
bonds (distance) C4'-P energy: -9.138
bonds (distance) P-C4' energy: -10.448
flat angles C4'-P-C4' energy: -8.732
flat angles P-C4'-P energy: -1.871
tors. eta vs tors. theta energy: -10.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -137.773042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.773042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.773042 (E_RNA)
where:
Base-Base interactions energy: -96.499
where: short stacking energy: -47.148
Base-Backbone interact. energy: -0.001
local terms energy: -41.273050
where:
bonds (distance) C4'-P energy: -6.009
bonds (distance) P-C4' energy: -8.473
flat angles C4'-P-C4' energy: -8.524
flat angles P-C4'-P energy: -7.523
tors. eta vs tors. theta energy: -10.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -136.063779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.063779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.063779 (E_RNA)
where:
Base-Base interactions energy: -95.450
where: short stacking energy: -44.069
Base-Backbone interact. energy: -1.203
local terms energy: -39.410739
where:
bonds (distance) C4'-P energy: -8.580
bonds (distance) P-C4' energy: -7.408
flat angles C4'-P-C4' energy: -8.537
flat angles P-C4'-P energy: -6.200
tors. eta vs tors. theta energy: -8.686
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: 10
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -131.482177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.482177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.482177 (E_RNA)
where:
Base-Base interactions energy: -90.058
where: short stacking energy: -34.444
Base-Backbone interact. energy: -0.113
local terms energy: -41.310887
where:
bonds (distance) C4'-P energy: -9.403
bonds (distance) P-C4' energy: -10.186
flat angles C4'-P-C4' energy: -9.378
flat angles P-C4'-P energy: -3.756
tors. eta vs tors. theta energy: -8.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -130.583132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.583132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.583132 (E_RNA)
where:
Base-Base interactions energy: -89.954
where: short stacking energy: -39.688
Base-Backbone interact. energy: 0.123
local terms energy: -40.751940
where:
bonds (distance) C4'-P energy: -7.842
bonds (distance) P-C4' energy: -8.519
flat angles C4'-P-C4' energy: -8.650
flat angles P-C4'-P energy: -6.547
tors. eta vs tors. theta energy: -9.193
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: 6, replica: 6
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -129.235466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.235466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.235466 (E_RNA)
where:
Base-Base interactions energy: -94.535
where: short stacking energy: -45.021
Base-Backbone interact. energy: -0.016
local terms energy: -34.684502
where:
bonds (distance) C4'-P energy: -7.647
bonds (distance) P-C4' energy: -5.113
flat angles C4'-P-C4' energy: -8.196
flat angles P-C4'-P energy: -3.888
tors. eta vs tors. theta energy: -9.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -130.803530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.803530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.803530 (E_RNA)
where:
Base-Base interactions energy: -88.432
where: short stacking energy: -43.590
Base-Backbone interact. energy: -0.378
local terms energy: -41.993940
where:
bonds (distance) C4'-P energy: -8.012
bonds (distance) P-C4' energy: -9.901
flat angles C4'-P-C4' energy: -8.020
flat angles P-C4'-P energy: -5.348
tors. eta vs tors. theta energy: -10.713
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: 408
Temperature: 1.250000
Total energy: -65.807451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.807451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.807451 (E_RNA)
where:
Base-Base interactions energy: -28.188
where: short stacking energy: -28.188
Base-Backbone interact. energy: -0.000
local terms energy: -37.619086
where:
bonds (distance) C4'-P energy: -8.090
bonds (distance) P-C4' energy: -9.761
flat angles C4'-P-C4' energy: -6.985
flat angles P-C4'-P energy: -5.988
tors. eta vs tors. theta energy: -6.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -66.560950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.560950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.560950 (E_RNA)
where:
Base-Base interactions energy: -31.010
where: short stacking energy: -25.336
Base-Backbone interact. energy: -0.348
local terms energy: -35.203860
where:
bonds (distance) C4'-P energy: -8.132
bonds (distance) P-C4' energy: -8.594
flat angles C4'-P-C4' energy: -9.618
flat angles P-C4'-P energy: -4.849
tors. eta vs tors. theta energy: -4.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -60.994329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.994329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.994329 (E_RNA)
where:
Base-Base interactions energy: -26.211
where: short stacking energy: -26.211
Base-Backbone interact. energy: -0.039
local terms energy: -34.743726
where:
bonds (distance) C4'-P energy: -6.944
bonds (distance) P-C4' energy: -9.044
flat angles C4'-P-C4' energy: -8.951
flat angles P-C4'-P energy: -8.081
tors. eta vs tors. theta energy: -1.724
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: 1
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -147.087058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.087058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.087058 (E_RNA)
where:
Base-Base interactions energy: -108.924
where: short stacking energy: -41.466
Base-Backbone interact. energy: -0.056
local terms energy: -38.106903
where:
bonds (distance) C4'-P energy: -8.790
bonds (distance) P-C4' energy: -10.423
flat angles C4'-P-C4' energy: -5.290
flat angles P-C4'-P energy: -5.175
tors. eta vs tors. theta energy: -8.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -135.077750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.077750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.077750 (E_RNA)
where:
Base-Base interactions energy: -90.903
where: short stacking energy: -40.588
Base-Backbone interact. energy: -0.705
local terms energy: -43.469817
where:
bonds (distance) C4'-P energy: -7.423
bonds (distance) P-C4' energy: -8.794
flat angles C4'-P-C4' energy: -9.833
flat angles P-C4'-P energy: -8.021
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: 3, replica: 8
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -132.668465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.668465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.668465 (E_RNA)
where:
Base-Base interactions energy: -95.512
where: short stacking energy: -43.178
Base-Backbone interact. energy: -0.009
local terms energy: -37.147041
where:
bonds (distance) C4'-P energy: -5.835
bonds (distance) P-C4' energy: -10.423
flat angles C4'-P-C4' energy: -10.737
flat angles P-C4'-P energy: -0.603
tors. eta vs tors. theta energy: -9.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -132.486339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.486339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.486339 (E_RNA)
where:
Base-Base interactions energy: -88.868
where: short stacking energy: -43.099
Base-Backbone interact. energy: -0.108
local terms energy: -43.510228
where:
bonds (distance) C4'-P energy: -10.508
bonds (distance) P-C4' energy: -7.833
flat angles C4'-P-C4' energy: -8.780
flat angles P-C4'-P energy: -7.200
tors. eta vs tors. theta energy: -9.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -133.572183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.572183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.572183 (E_RNA)
where:
Base-Base interactions energy: -93.484
where: short stacking energy: -39.188
Base-Backbone interact. energy: -0.025
local terms energy: -40.062551
where:
bonds (distance) C4'-P energy: -9.485
bonds (distance) P-C4' energy: -8.306
flat angles C4'-P-C4' energy: -7.457
flat angles P-C4'-P energy: -4.879
tors. eta vs tors. theta energy: -9.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -135.031853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.031853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.031853 (E_RNA)
where:
Base-Base interactions energy: -103.844
where: short stacking energy: -40.308
Base-Backbone interact. energy: -0.031
local terms energy: -31.156337
where:
bonds (distance) C4'-P energy: -6.088
bonds (distance) P-C4' energy: -8.258
flat angles C4'-P-C4' energy: -5.818
flat angles P-C4'-P energy: 0.508
tors. eta vs tors. theta energy: -11.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -124.536550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.536550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.536550 (E_RNA)
where:
Base-Base interactions energy: -87.324
where: short stacking energy: -41.565
Base-Backbone interact. energy: -0.417
local terms energy: -36.795100
where:
bonds (distance) C4'-P energy: -7.602
bonds (distance) P-C4' energy: -7.914
flat angles C4'-P-C4' energy: -8.838
flat angles P-C4'-P energy: -4.646
tors. eta vs tors. theta energy: -7.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -73.092063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.092063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.092063 (E_RNA)
where:
Base-Base interactions energy: -45.941
where: short stacking energy: -24.319
Base-Backbone interact. energy: 0.160
local terms energy: -27.311028
where:
bonds (distance) C4'-P energy: -7.416
bonds (distance) P-C4' energy: -6.117
flat angles C4'-P-C4' energy: -5.621
flat angles P-C4'-P energy: -4.061
tors. eta vs tors. theta energy: -4.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -60.622148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.622148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.622148 (E_RNA)
where:
Base-Base interactions energy: -27.947
where: short stacking energy: -27.947
Base-Backbone interact. energy: -0.056
local terms energy: -32.619766
where:
bonds (distance) C4'-P energy: -8.384
bonds (distance) P-C4' energy: -7.297
flat angles C4'-P-C4' energy: -8.308
flat angles P-C4'-P energy: -4.271
tors. eta vs tors. theta energy: -4.360
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: 7
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -59.826376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.826376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.826376 (E_RNA)
where:
Base-Base interactions energy: -27.097
where: short stacking energy: -19.508
Base-Backbone interact. energy: -0.001
local terms energy: -32.728873
where:
bonds (distance) C4'-P energy: -4.079
bonds (distance) P-C4' energy: -7.454
flat angles C4'-P-C4' energy: -9.369
flat angles P-C4'-P energy: -6.069
tors. eta vs tors. theta energy: -5.759
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: 1, replica: 3
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -145.808193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.808193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.808193 (E_RNA)
where:
Base-Base interactions energy: -100.227
where: short stacking energy: -46.338
Base-Backbone interact. energy: -0.016
local terms energy: -45.564799
where:
bonds (distance) C4'-P energy: -9.717
bonds (distance) P-C4' energy: -9.764
flat angles C4'-P-C4' energy: -7.671
flat angles P-C4'-P energy: -7.709
tors. eta vs tors. theta energy: -10.704
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: 1
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -145.829559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.829559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.829559 (E_RNA)
where:
Base-Base interactions energy: -107.026
where: short stacking energy: -41.556
Base-Backbone interact. energy: -0.047
local terms energy: -38.757010
where:
bonds (distance) C4'-P energy: -7.814
bonds (distance) P-C4' energy: -7.756
flat angles C4'-P-C4' energy: -9.138
flat angles P-C4'-P energy: -5.693
tors. eta vs tors. theta energy: -8.356
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: 410
Temperature: 1.000000
Total energy: -139.288542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.288542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.288542 (E_RNA)
where:
Base-Base interactions energy: -92.068
where: short stacking energy: -43.238
Base-Backbone interact. energy: -0.685
local terms energy: -46.536010
where:
bonds (distance) C4'-P energy: -8.082
bonds (distance) P-C4' energy: -11.131
flat angles C4'-P-C4' energy: -10.987
flat angles P-C4'-P energy: -6.544
tors. eta vs tors. theta energy: -9.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -134.808443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.808443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.808443 (E_RNA)
where:
Base-Base interactions energy: -94.404
where: short stacking energy: -43.968
Base-Backbone interact. energy: -0.013
local terms energy: -40.391440
where:
bonds (distance) C4'-P energy: -8.278
bonds (distance) P-C4' energy: -4.750
flat angles C4'-P-C4' energy: -8.627
flat angles P-C4'-P energy: -8.149
tors. eta vs tors. theta energy: -10.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -133.779789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.779789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.779789 (E_RNA)
where:
Base-Base interactions energy: -90.863
where: short stacking energy: -40.974
Base-Backbone interact. energy: -0.511
local terms energy: -42.406164
where:
bonds (distance) C4'-P energy: -9.663
bonds (distance) P-C4' energy: -9.778
flat angles C4'-P-C4' energy: -7.524
flat angles P-C4'-P energy: -5.806
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: 6, replica: 5
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -130.562634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.562634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.562634 (E_RNA)
where:
Base-Base interactions energy: -84.728
where: short stacking energy: -35.185
Base-Backbone interact. energy: 0.207
local terms energy: -46.041123
where:
bonds (distance) C4'-P energy: -8.844
bonds (distance) P-C4' energy: -9.827
flat angles C4'-P-C4' energy: -10.451
flat angles P-C4'-P energy: -6.684
tors. eta vs tors. theta energy: -10.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -137.545910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.545910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.545910 (E_RNA)
where:
Base-Base interactions energy: -91.566
where: short stacking energy: -44.436
Base-Backbone interact. energy: -1.116
local terms energy: -44.863815
where:
bonds (distance) C4'-P energy: -9.734
bonds (distance) P-C4' energy: -8.358
flat angles C4'-P-C4' energy: -9.675
flat angles P-C4'-P energy: -7.840
tors. eta vs tors. theta energy: -9.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -65.349995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.349995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.349995 (E_RNA)
where:
Base-Base interactions energy: -32.948
where: short stacking energy: -22.745
Base-Backbone interact. energy: -0.002
local terms energy: -32.400123
where:
bonds (distance) C4'-P energy: -7.424
bonds (distance) P-C4' energy: -10.140
flat angles C4'-P-C4' energy: -9.112
flat angles P-C4'-P energy: -5.359
tors. eta vs tors. theta energy: -0.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -62.913374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.913374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.913374 (E_RNA)
where:
Base-Base interactions energy: -33.302
where: short stacking energy: -19.766
Base-Backbone interact. energy: -0.033
local terms energy: -29.578596
where:
bonds (distance) C4'-P energy: -7.345
bonds (distance) P-C4' energy: -9.662
flat angles C4'-P-C4' energy: -6.285
flat angles P-C4'-P energy: -4.270
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: 10, replica: 9
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -51.470897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.470897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.470897 (E_RNA)
where:
Base-Base interactions energy: -17.511
where: short stacking energy: -12.629
Base-Backbone interact. energy: -0.388
local terms energy: -33.572180
where:
bonds (distance) C4'-P energy: -9.622
bonds (distance) P-C4' energy: -9.880
flat angles C4'-P-C4' energy: -7.222
flat angles P-C4'-P energy: -3.512
tors. eta vs tors. theta energy: -3.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -141.612961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.612961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.612961 (E_RNA)
where:
Base-Base interactions energy: -93.560
where: short stacking energy: -42.355
Base-Backbone interact. energy: -0.697
local terms energy: -47.356103
where:
bonds (distance) C4'-P energy: -8.509
bonds (distance) P-C4' energy: -9.865
flat angles C4'-P-C4' energy: -9.334
flat angles P-C4'-P energy: -7.568
tors. eta vs tors. theta energy: -12.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -138.240130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.240130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.240130 (E_RNA)
where:
Base-Base interactions energy: -92.785
where: short stacking energy: -43.888
Base-Backbone interact. energy: -0.008
local terms energy: -45.446456
where:
bonds (distance) C4'-P energy: -8.392
bonds (distance) P-C4' energy: -10.067
flat angles C4'-P-C4' energy: -9.708
flat angles P-C4'-P energy: -8.453
tors. eta vs tors. theta energy: -8.826
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: 1
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -138.231864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.231864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.231864 (E_RNA)
where:
Base-Base interactions energy: -99.563
where: short stacking energy: -40.307
Base-Backbone interact. energy: -0.375
local terms energy: -38.294556
where:
bonds (distance) C4'-P energy: -10.045
bonds (distance) P-C4' energy: -8.619
flat angles C4'-P-C4' energy: -7.352
flat angles P-C4'-P energy: -3.710
tors. eta vs tors. theta energy: -8.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -135.092934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.092934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.092934 (E_RNA)
where:
Base-Base interactions energy: -90.163
where: short stacking energy: -42.364
Base-Backbone interact. energy: -0.027
local terms energy: -44.903022
where:
bonds (distance) C4'-P energy: -9.743
bonds (distance) P-C4' energy: -8.594
flat angles C4'-P-C4' energy: -9.432
flat angles P-C4'-P energy: -7.672
tors. eta vs tors. theta energy: -9.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -135.067436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.067436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.067436 (E_RNA)
where:
Base-Base interactions energy: -91.361
where: short stacking energy: -41.649
Base-Backbone interact. energy: -0.791
local terms energy: -42.916292
where:
bonds (distance) C4'-P energy: -9.602
bonds (distance) P-C4' energy: -9.249
flat angles C4'-P-C4' energy: -9.258
flat angles P-C4'-P energy: -6.750
tors. eta vs tors. theta energy: -8.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -127.435420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.435420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.435420 (E_RNA)
where:
Base-Base interactions energy: -90.611
where: short stacking energy: -41.808
Base-Backbone interact. energy: -0.379
local terms energy: -36.445839
where:
bonds (distance) C4'-P energy: -4.381
bonds (distance) P-C4' energy: -8.613
flat angles C4'-P-C4' energy: -8.921
flat angles P-C4'-P energy: -5.570
tors. eta vs tors. theta energy: -8.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -129.899082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.899082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.899082 (E_RNA)
where:
Base-Base interactions energy: -91.571
where: short stacking energy: -42.522
Base-Backbone interact. energy: -1.274
local terms energy: -37.054036
where:
bonds (distance) C4'-P energy: -7.983
bonds (distance) P-C4' energy: -10.070
flat angles C4'-P-C4' energy: -7.348
flat angles P-C4'-P energy: -1.535
tors. eta vs tors. theta energy: -10.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -66.202912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.202912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.202912 (E_RNA)
where:
Base-Base interactions energy: -25.725
where: short stacking energy: -25.725
Base-Backbone interact. energy: -0.085
local terms energy: -40.392995
where:
bonds (distance) C4'-P energy: -9.502
bonds (distance) P-C4' energy: -10.155
flat angles C4'-P-C4' energy: -8.995
flat angles P-C4'-P energy: -7.076
tors. eta vs tors. theta energy: -4.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -63.932443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.932443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.932443 (E_RNA)
where:
Base-Base interactions energy: -30.250
where: short stacking energy: -30.250
Base-Backbone interact. energy: -0.010
local terms energy: -33.672588
where:
bonds (distance) C4'-P energy: -6.236
bonds (distance) P-C4' energy: -8.175
flat angles C4'-P-C4' energy: -9.476
flat angles P-C4'-P energy: -4.038
tors. eta vs tors. theta energy: -5.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -68.695981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.695981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.695981 (E_RNA)
where:
Base-Base interactions energy: -35.562
where: short stacking energy: -30.585
Base-Backbone interact. energy: -0.204
local terms energy: -32.929505
where:
bonds (distance) C4'-P energy: -9.494
bonds (distance) P-C4' energy: -9.147
flat angles C4'-P-C4' energy: -8.639
flat angles P-C4'-P energy: -1.805
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)
out arg RESULTS//1/NTUJDW-77bce55f_01
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 4
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -138.637888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.637888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.637888 (E_RNA)
where:
Base-Base interactions energy: -93.673
where: short stacking energy: -47.506
Base-Backbone interact. energy: -0.035
local terms energy: -44.930303
where:
bonds (distance) C4'-P energy: -7.375
bonds (distance) P-C4' energy: -10.180
flat angles C4'-P-C4' energy: -10.403
flat angles P-C4'-P energy: -7.516
tors. eta vs tors. theta energy: -9.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -139.442092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.442092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.442092 (E_RNA)
where:
Base-Base interactions energy: -98.595
where: short stacking energy: -47.091
Base-Backbone interact. energy: -1.499
local terms energy: -39.348908
where:
bonds (distance) C4'-P energy: -6.886
bonds (distance) P-C4' energy: -7.941
flat angles C4'-P-C4' energy: -8.452
flat angles P-C4'-P energy: -5.662
tors. eta vs tors. theta energy: -10.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -137.888501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.888501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.888501 (E_RNA)
where:
Base-Base interactions energy: -97.642
where: short stacking energy: -47.802
Base-Backbone interact. energy: 1.442
local terms energy: -41.688497
where:
bonds (distance) C4'-P energy: -3.964
bonds (distance) P-C4' energy: -10.870
flat angles C4'-P-C4' energy: -9.615
flat angles P-C4'-P energy: -6.736
tors. eta vs tors. theta energy: -10.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -143.015472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.015472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.015472 (E_RNA)
where:
Base-Base interactions energy: -102.414
where: short stacking energy: -42.975
Base-Backbone interact. energy: -0.025
local terms energy: -40.577043
where:
bonds (distance) C4'-P energy: -7.664
bonds (distance) P-C4' energy: -10.867
flat angles C4'-P-C4' energy: -8.272
flat angles P-C4'-P energy: -5.051
tors. eta vs tors. theta energy: -8.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -135.535858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.535858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.535858 (E_RNA)
where:
Base-Base interactions energy: -101.852
where: short stacking energy: -40.379
Base-Backbone interact. energy: -0.002
local terms energy: -33.681749
where:
bonds (distance) C4'-P energy: -9.172
bonds (distance) P-C4' energy: -6.509
flat angles C4'-P-C4' energy: -9.181
flat angles P-C4'-P energy: -0.721
tors. eta vs tors. theta energy: -8.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -123.144199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.144199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.144199 (E_RNA)
where:
Base-Base interactions energy: -83.875
where: short stacking energy: -34.626
Base-Backbone interact. energy: -0.247
local terms energy: -39.022557
where:
bonds (distance) C4'-P energy: -8.157
bonds (distance) P-C4' energy: -7.548
flat angles C4'-P-C4' energy: -9.129
flat angles P-C4'-P energy: -6.238
tors. eta vs tors. theta energy: -7.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -71.407010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.407010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.407010 (E_RNA)
where:
Base-Base interactions energy: -37.150
where: short stacking energy: -27.980
Base-Backbone interact. energy: -0.069
local terms energy: -34.188146
where:
bonds (distance) C4'-P energy: -8.501
bonds (distance) P-C4' energy: -10.193
flat angles C4'-P-C4' energy: -7.699
flat angles P-C4'-P energy: -1.714
tors. eta vs tors. theta energy: -6.080
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: 5
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -125.921490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.921490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.921490 (E_RNA)
where:
Base-Base interactions energy: -89.191
where: short stacking energy: -38.898
Base-Backbone interact. energy: -1.229
local terms energy: -35.500892
where:
bonds (distance) C4'-P energy: -5.047
bonds (distance) P-C4' energy: -6.175
flat angles C4'-P-C4' energy: -9.199
flat angles P-C4'-P energy: -5.778
tors. eta vs tors. theta energy: -9.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -73.737640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.737640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.737640 (E_RNA)
where:
Base-Base interactions energy: -35.050
where: short stacking energy: -23.235
Base-Backbone interact. energy: -0.191
local terms energy: -38.495865
where:
bonds (distance) C4'-P energy: -6.907
bonds (distance) P-C4' energy: -9.739
flat angles C4'-P-C4' energy: -10.063
flat angles P-C4'-P energy: -8.033
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: 10, replica: 9
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -59.314497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.314497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.314497 (E_RNA)
where:
Base-Base interactions energy: -25.525
where: short stacking energy: -25.525
Base-Backbone interact. energy: -0.000
local terms energy: -33.789169
where:
bonds (distance) C4'-P energy: -5.280
bonds (distance) P-C4' energy: -10.441
flat angles C4'-P-C4' energy: -7.483
flat angles P-C4'-P energy: -4.338
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)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 4
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -135.262419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.262419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.262419 (E_RNA)
where:
Base-Base interactions energy: -90.811
where: short stacking energy: -41.727
Base-Backbone interact. energy: 0.077
local terms energy: -44.528137
where:
bonds (distance) C4'-P energy: -10.276
bonds (distance) P-C4' energy: -8.753
flat angles C4'-P-C4' energy: -9.306
flat angles P-C4'-P energy: -7.173
tors. eta vs tors. theta energy: -9.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -141.179512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.179512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.179512 (E_RNA)
where:
Base-Base interactions energy: -94.544
where: short stacking energy: -43.957
Base-Backbone interact. energy: -0.990
local terms energy: -45.645902
where:
bonds (distance) C4'-P energy: -9.291
bonds (distance) P-C4' energy: -10.649
flat angles C4'-P-C4' energy: -10.742
flat angles P-C4'-P energy: -5.719
tors. eta vs tors. theta energy: -9.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -135.060735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.060735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.060735 (E_RNA)
where:
Base-Base interactions energy: -93.318
where: short stacking energy: -40.179
Base-Backbone interact. energy: -0.901
local terms energy: -40.842604
where:
bonds (distance) C4'-P energy: -6.807
bonds (distance) P-C4' energy: -9.728
flat angles C4'-P-C4' energy: -8.160
flat angles P-C4'-P energy: -5.830
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: 4, replica: 10
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -137.246044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.246044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.246044 (E_RNA)
where:
Base-Base interactions energy: -91.402
where: short stacking energy: -40.957
Base-Backbone interact. energy: -0.504
local terms energy: -45.339903
where:
bonds (distance) C4'-P energy: -10.330
bonds (distance) P-C4' energy: -9.137
flat angles C4'-P-C4' energy: -8.266
flat angles P-C4'-P energy: -8.665
tors. eta vs tors. theta energy: -8.941
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: 6
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -139.460928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.460928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.460928 (E_RNA)
where:
Base-Base interactions energy: -93.202
where: short stacking energy: -44.854
Base-Backbone interact. energy: -1.261
local terms energy: -44.997787
where:
bonds (distance) C4'-P energy: -9.606
bonds (distance) P-C4' energy: -8.957
flat angles C4'-P-C4' energy: -8.965
flat angles P-C4'-P energy: -7.580
tors. eta vs tors. theta energy: -9.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -122.464135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.464135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.464135 (E_RNA)
where:
Base-Base interactions energy: -87.397
where: short stacking energy: -39.379
Base-Backbone interact. energy: -0.168
local terms energy: -34.899231
where:
bonds (distance) C4'-P energy: -8.596
bonds (distance) P-C4' energy: -8.238
flat angles C4'-P-C4' energy: -4.623
flat angles P-C4'-P energy: -5.749
tors. eta vs tors. theta energy: -7.693
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: 7
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -64.999148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.999148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.999148 (E_RNA)
where:
Base-Base interactions energy: -32.456
where: short stacking energy: -32.456
Base-Backbone interact. energy: 0.789
local terms energy: -33.332012
where:
bonds (distance) C4'-P energy: -8.492
bonds (distance) P-C4' energy: -9.027
flat angles C4'-P-C4' energy: -7.978
flat angles P-C4'-P energy: -2.809
tors. eta vs tors. theta energy: -5.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -133.749161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.749161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.749161 (E_RNA)
where:
Base-Base interactions energy: -94.594
where: short stacking energy: -44.363
Base-Backbone interact. energy: -0.038
local terms energy: -39.117537
where:
bonds (distance) C4'-P energy: -5.511
bonds (distance) P-C4' energy: -9.030
flat angles C4'-P-C4' energy: -9.113
flat angles P-C4'-P energy: -6.341
tors. eta vs tors. theta energy: -9.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -66.124582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.124582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.124582 (E_RNA)
where:
Base-Base interactions energy: -28.039
where: short stacking energy: -28.039
Base-Backbone interact. energy: -0.004
local terms energy: -38.081524
where:
bonds (distance) C4'-P energy: -7.051
bonds (distance) P-C4' energy: -9.263
flat angles C4'-P-C4' energy: -8.168
flat angles P-C4'-P energy: -6.947
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: 10, replica: 9
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -57.662784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.662784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.662784 (E_RNA)
where:
Base-Base interactions energy: -28.266
where: short stacking energy: -20.795
Base-Backbone interact. energy: -0.210
local terms energy: -29.187147
where:
bonds (distance) C4'-P energy: -7.775
bonds (distance) P-C4' energy: -5.742
flat angles C4'-P-C4' energy: -7.832
flat angles P-C4'-P energy: -4.858
tors. eta vs tors. theta energy: -2.980
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)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 4
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -139.782388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.782388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.782388 (E_RNA)
where:
Base-Base interactions energy: -92.360
where: short stacking energy: -44.414
Base-Backbone interact. energy: -0.023
local terms energy: -47.398722
where:
bonds (distance) C4'-P energy: -10.268
bonds (distance) P-C4' energy: -9.901
flat angles C4'-P-C4' energy: -10.811
flat angles P-C4'-P energy: -6.761
tors. eta vs tors. theta energy: -9.657
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: 1
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -143.057936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.057936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.057936 (E_RNA)
where:
Base-Base interactions energy: -96.951
where: short stacking energy: -46.805
Base-Backbone interact. energy: -1.462
local terms energy: -44.644473
where:
bonds (distance) C4'-P energy: -9.208
bonds (distance) P-C4' energy: -8.932
flat angles C4'-P-C4' energy: -9.888
flat angles P-C4'-P energy: -6.097
tors. eta vs tors. theta energy: -10.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -137.119667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.119667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.119667 (E_RNA)
where:
Base-Base interactions energy: -95.950
where: short stacking energy: -43.789
Base-Backbone interact. energy: -0.010
local terms energy: -41.159346
where:
bonds (distance) C4'-P energy: -8.191
bonds (distance) P-C4' energy: -7.309
flat angles C4'-P-C4' energy: -10.830
flat angles P-C4'-P energy: -6.104
tors. eta vs tors. theta energy: -8.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -133.288305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.288305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.288305 (E_RNA)
where:
Base-Base interactions energy: -88.687
where: short stacking energy: -37.055
Base-Backbone interact. energy: -0.419
local terms energy: -44.181955
where:
bonds (distance) C4'-P energy: -8.315
bonds (distance) P-C4' energy: -11.099
flat angles C4'-P-C4' energy: -7.999
flat angles P-C4'-P energy: -9.282
tors. eta vs tors. theta energy: -7.486
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: 8
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -126.251884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.251884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.251884 (E_RNA)
where:
Base-Base interactions energy: -91.697
where: short stacking energy: -32.946
Base-Backbone interact. energy: -0.004
local terms energy: -34.550827
where:
bonds (distance) C4'-P energy: -7.991
bonds (distance) P-C4' energy: -8.759
flat angles C4'-P-C4' energy: -8.523
flat angles P-C4'-P energy: -2.917
tors. eta vs tors. theta energy: -6.360
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: 6
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -130.204768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.204768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.204768 (E_RNA)
where:
Base-Base interactions energy: -90.296
where: short stacking energy: -42.131
Base-Backbone interact. energy: -0.330
local terms energy: -39.578785
where:
bonds (distance) C4'-P energy: -2.745
bonds (distance) P-C4' energy: -11.374
flat angles C4'-P-C4' energy: -9.535
flat angles P-C4'-P energy: -6.233
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: 7, replica: 5
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -127.274020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.274020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.274020 (E_RNA)
where:
Base-Base interactions energy: -92.039
where: short stacking energy: -36.439
Base-Backbone interact. energy: 0.435
local terms energy: -35.669440
where:
bonds (distance) C4'-P energy: -6.013
bonds (distance) P-C4' energy: -8.840
flat angles C4'-P-C4' energy: -7.862
flat angles P-C4'-P energy: -5.062
tors. eta vs tors. theta energy: -7.893
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: 7
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -73.983397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.983397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.983397 (E_RNA)
where:
Base-Base interactions energy: -38.422
where: short stacking energy: -30.125
Base-Backbone interact. energy: -0.057
local terms energy: -35.504227
where:
bonds (distance) C4'-P energy: -8.596
bonds (distance) P-C4' energy: -8.873
flat angles C4'-P-C4' energy: -8.358
flat angles P-C4'-P energy: -3.874
tors. eta vs tors. theta energy: -5.803
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: 9
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -57.389402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.389402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.389402 (E_RNA)
where:
Base-Base interactions energy: -27.253
where: short stacking energy: -17.223
Base-Backbone interact. energy: -0.063
local terms energy: -30.074104
where:
bonds (distance) C4'-P energy: -7.225
bonds (distance) P-C4' energy: -10.398
flat angles C4'-P-C4' energy: -6.826
flat angles P-C4'-P energy: -4.190
tors. eta vs tors. theta energy: -1.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -60.201694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.201694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.201694 (E_RNA)
where:
Base-Base interactions energy: -29.152
where: short stacking energy: -29.152
Base-Backbone interact. energy: -0.001
local terms energy: -31.048383
where:
bonds (distance) C4'-P energy: -8.588
bonds (distance) P-C4' energy: -8.389
flat angles C4'-P-C4' energy: -4.760
flat angles P-C4'-P energy: -3.592
tors. eta vs tors. theta energy: -5.720
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)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 4
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -137.801132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.801132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.801132 (E_RNA)
where:
Base-Base interactions energy: -92.924
where: short stacking energy: -41.770
Base-Backbone interact. energy: 0.206
local terms energy: -45.082789
where:
bonds (distance) C4'-P energy: -9.042
bonds (distance) P-C4' energy: -10.429
flat angles C4'-P-C4' energy: -7.628
flat angles P-C4'-P energy: -7.524
tors. eta vs tors. theta energy: -10.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -145.150522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.150522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.150522 (E_RNA)
where:
Base-Base interactions energy: -101.301
where: short stacking energy: -43.933
Base-Backbone interact. energy: -1.390
local terms energy: -42.459410
where:
bonds (distance) C4'-P energy: -9.299
bonds (distance) P-C4' energy: -6.839
flat angles C4'-P-C4' energy: -9.324
flat angles P-C4'-P energy: -7.465
tors. eta vs tors. theta energy: -9.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -139.925662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.925662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.925662 (E_RNA)
where:
Base-Base interactions energy: -94.898
where: short stacking energy: -45.342
Base-Backbone interact. energy: 0.316
local terms energy: -45.343789
where:
bonds (distance) C4'-P energy: -8.484
bonds (distance) P-C4' energy: -9.696
flat angles C4'-P-C4' energy: -9.367
flat angles P-C4'-P energy: -7.694
tors. eta vs tors. theta energy: -10.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -138.482158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.482158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.482158 (E_RNA)
where:
Base-Base interactions energy: -97.260
where: short stacking energy: -45.414
Base-Backbone interact. energy: -0.185
local terms energy: -41.036609
where:
bonds (distance) C4'-P energy: -10.748
bonds (distance) P-C4' energy: -6.998
flat angles C4'-P-C4' energy: -7.653
flat angles P-C4'-P energy: -6.034
tors. eta vs tors. theta energy: -9.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -128.740237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.740237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.740237 (E_RNA)
where:
Base-Base interactions energy: -94.404
where: short stacking energy: -40.919
Base-Backbone interact. energy: -0.077
local terms energy: -34.259221
where:
bonds (distance) C4'-P energy: -6.137
bonds (distance) P-C4' energy: -8.594
flat angles C4'-P-C4' energy: -9.226
flat angles P-C4'-P energy: -3.749
tors. eta vs tors. theta energy: -6.554
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: 6, replica: 5
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -137.071446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.071446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.071446 (E_RNA)
where:
Base-Base interactions energy: -97.412
where: short stacking energy: -45.024
Base-Backbone interact. energy: -0.006
local terms energy: -39.652999
where:
bonds (distance) C4'-P energy: -7.647
bonds (distance) P-C4' energy: -10.637
flat angles C4'-P-C4' energy: -7.942
flat angles P-C4'-P energy: -3.274
tors. eta vs tors. theta energy: -10.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -122.657471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.657471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.657471 (E_RNA)
where:
Base-Base interactions energy: -84.434
where: short stacking energy: -37.241
Base-Backbone interact. energy: -0.096
local terms energy: -38.126675
where:
bonds (distance) C4'-P energy: -9.025
bonds (distance) P-C4' energy: -6.082
flat angles C4'-P-C4' energy: -9.359
flat angles P-C4'-P energy: -6.614
tors. eta vs tors. theta energy: -7.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -56.846337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.846337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.846337 (E_RNA)
where:
Base-Base interactions energy: -29.386
where: short stacking energy: -24.233
Base-Backbone interact. energy: -0.001
local terms energy: -27.459381
where:
bonds (distance) C4'-P energy: -6.624
bonds (distance) P-C4' energy: -8.786
flat angles C4'-P-C4' energy: -2.762
flat angles P-C4'-P energy: -5.292
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: 9, replica: 7
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -63.269227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.269227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.269227 (E_RNA)
where:
Base-Base interactions energy: -30.034
where: short stacking energy: -25.012
Base-Backbone interact. energy: -0.002
local terms energy: -33.233505
where:
bonds (distance) C4'-P energy: -7.867
bonds (distance) P-C4' energy: -8.989
flat angles C4'-P-C4' energy: -9.491
flat angles P-C4'-P energy: -3.983
tors. eta vs tors. theta energy: -2.903
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: 10, replica: 2
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -54.177590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.177590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.177590 (E_RNA)
where:
Base-Base interactions energy: -22.771
where: short stacking energy: -22.771
Base-Backbone interact. energy: -0.029
local terms energy: -31.377008
where:
bonds (distance) C4'-P energy: -9.378
bonds (distance) P-C4' energy: -9.245
flat angles C4'-P-C4' energy: -7.362
flat angles P-C4'-P energy: -3.986
tors. eta vs tors. theta energy: -1.406
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)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 10
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -140.080751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.080751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.080751 (E_RNA)
where:
Base-Base interactions energy: -94.220
where: short stacking energy: -43.163
Base-Backbone interact. energy: -0.029
local terms energy: -45.831657
where:
bonds (distance) C4'-P energy: -10.454
bonds (distance) P-C4' energy: -9.957
flat angles C4'-P-C4' energy: -7.896
flat angles P-C4'-P energy: -7.373
tors. eta vs tors. theta energy: -10.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -137.259043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.259043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.259043 (E_RNA)
where:
Base-Base interactions energy: -92.337
where: short stacking energy: -40.377
Base-Backbone interact. energy: -0.296
local terms energy: -44.625790
where:
bonds (distance) C4'-P energy: -8.728
bonds (distance) P-C4' energy: -11.085
flat angles C4'-P-C4' energy: -8.622
flat angles P-C4'-P energy: -5.867
tors. eta vs tors. theta energy: -10.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -137.563349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.563349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.563349 (E_RNA)
where:
Base-Base interactions energy: -91.865
where: short stacking energy: -42.423
Base-Backbone interact. energy: -0.923
local terms energy: -44.776018
where:
bonds (distance) C4'-P energy: -8.856
bonds (distance) P-C4' energy: -9.333
flat angles C4'-P-C4' energy: -9.675
flat angles P-C4'-P energy: -6.825
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: 4, replica: 1
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -135.439656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.439656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.439656 (E_RNA)
where:
Base-Base interactions energy: -92.768
where: short stacking energy: -40.462
Base-Backbone interact. energy: -0.001
local terms energy: -42.670169
where:
bonds (distance) C4'-P energy: -9.043
bonds (distance) P-C4' energy: -9.451
flat angles C4'-P-C4' energy: -8.386
flat angles P-C4'-P energy: -6.032
tors. eta vs tors. theta energy: -9.759
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: 5
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -135.898225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.898225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.898225 (E_RNA)
where:
Base-Base interactions energy: -103.099
where: short stacking energy: -41.557
Base-Backbone interact. energy: -0.051
local terms energy: -32.747802
where:
bonds (distance) C4'-P energy: -9.929
bonds (distance) P-C4' energy: -8.042
flat angles C4'-P-C4' energy: -4.508
flat angles P-C4'-P energy: -0.812
tors. eta vs tors. theta energy: -9.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -128.727493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.727493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.727493 (E_RNA)
where:
Base-Base interactions energy: -86.711
where: short stacking energy: -40.393
Base-Backbone interact. energy: -0.149
local terms energy: -41.868316
where:
bonds (distance) C4'-P energy: -7.023
bonds (distance) P-C4' energy: -7.507
flat angles C4'-P-C4' energy: -9.897
flat angles P-C4'-P energy: -8.678
tors. eta vs tors. theta energy: -8.764
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: 7, replica: 6
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -125.369232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.369232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.369232 (E_RNA)
where:
Base-Base interactions energy: -89.941
where: short stacking energy: -36.897
Base-Backbone interact. energy: 0.054
local terms energy: -35.482726
where:
bonds (distance) C4'-P energy: -5.407
bonds (distance) P-C4' energy: -9.990
flat angles C4'-P-C4' energy: -6.836
flat angles P-C4'-P energy: -6.248
tors. eta vs tors. theta energy: -7.003
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: 9
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -57.777993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.777993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.777993 (E_RNA)
where:
Base-Base interactions energy: -22.301
where: short stacking energy: -17.394
Base-Backbone interact. energy: -0.233
local terms energy: -35.244426
where:
bonds (distance) C4'-P energy: -9.485
bonds (distance) P-C4' energy: -10.208
flat angles C4'-P-C4' energy: -8.520
flat angles P-C4'-P energy: -5.716
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: 2
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -66.517894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.517894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.517894 (E_RNA)
where:
Base-Base interactions energy: -28.507
where: short stacking energy: -28.507
Base-Backbone interact. energy: -0.090
local terms energy: -37.921394
where:
bonds (distance) C4'-P energy: -8.492
bonds (distance) P-C4' energy: -9.990
flat angles C4'-P-C4' energy: -8.795
flat angles P-C4'-P energy: -4.121
tors. eta vs tors. theta energy: -6.523
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: 7
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -51.090513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.090513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.090513 (E_RNA)
where:
Base-Base interactions energy: -21.480
where: short stacking energy: -21.480
Base-Backbone interact. energy: -0.203
local terms energy: -29.407037
where:
bonds (distance) C4'-P energy: -8.029
bonds (distance) P-C4' energy: -5.502
flat angles C4'-P-C4' energy: -6.582
flat angles P-C4'-P energy: -9.381
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)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 10
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -144.679178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.679178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.679178 (E_RNA)
where:
Base-Base interactions energy: -100.545
where: short stacking energy: -42.138
Base-Backbone interact. energy: -0.006
local terms energy: -44.127568
where:
bonds (distance) C4'-P energy: -9.316
bonds (distance) P-C4' energy: -9.013
flat angles C4'-P-C4' energy: -10.711
flat angles P-C4'-P energy: -6.456
tors. eta vs tors. theta energy: -8.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -138.654902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.654902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.654902 (E_RNA)
where:
Base-Base interactions energy: -98.606
where: short stacking energy: -35.834
Base-Backbone interact. energy: -0.016
local terms energy: -40.032896
where:
bonds (distance) C4'-P energy: -8.674
bonds (distance) P-C4' energy: -10.186
flat angles C4'-P-C4' energy: -7.096
flat angles P-C4'-P energy: -5.793
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: 3, replica: 8
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -138.031820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.031820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.031820 (E_RNA)
where:
Base-Base interactions energy: -94.578
where: short stacking energy: -43.680
Base-Backbone interact. energy: -1.019
local terms energy: -42.435190
where:
bonds (distance) C4'-P energy: -10.392
bonds (distance) P-C4' energy: -7.848
flat angles C4'-P-C4' energy: -8.390
flat angles P-C4'-P energy: -6.628
tors. eta vs tors. theta energy: -9.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -129.112642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.112642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.112642 (E_RNA)
where:
Base-Base interactions energy: -84.740
where: short stacking energy: -37.984
Base-Backbone interact. energy: -0.199
local terms energy: -44.174069
where:
bonds (distance) C4'-P energy: -8.256
bonds (distance) P-C4' energy: -11.597
flat angles C4'-P-C4' energy: -10.514
flat angles P-C4'-P energy: -6.284
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: 5, replica: 5
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -135.492890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.492890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.492890 (E_RNA)
where:
Base-Base interactions energy: -93.869
where: short stacking energy: -44.496
Base-Backbone interact. energy: -0.650
local terms energy: -40.973917
where:
bonds (distance) C4'-P energy: -8.836
bonds (distance) P-C4' energy: -9.908
flat angles C4'-P-C4' energy: -9.844
flat angles P-C4'-P energy: -3.205
tors. eta vs tors. theta energy: -9.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -125.740933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.740933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.740933 (E_RNA)
where:
Base-Base interactions energy: -90.113
where: short stacking energy: -40.498
Base-Backbone interact. energy: -0.199
local terms energy: -35.429178
where:
bonds (distance) C4'-P energy: -5.338
bonds (distance) P-C4' energy: -9.013
flat angles C4'-P-C4' energy: -7.545
flat angles P-C4'-P energy: -6.183
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: 7, replica: 3
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -133.564184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.564184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.564184 (E_RNA)
where:
Base-Base interactions energy: -90.465
where: short stacking energy: -44.224
Base-Backbone interact. energy: -0.013
local terms energy: -43.085330
where:
bonds (distance) C4'-P energy: -10.231
bonds (distance) P-C4' energy: -9.557
flat angles C4'-P-C4' energy: -8.605
flat angles P-C4'-P energy: -6.057
tors. eta vs tors. theta energy: -8.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -64.304532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.304532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.304532 (E_RNA)
where:
Base-Base interactions energy: -26.525
where: short stacking energy: -26.525
Base-Backbone interact. energy: -0.016
local terms energy: -37.763918
where:
bonds (distance) C4'-P energy: -9.999
bonds (distance) P-C4' energy: -8.562
flat angles C4'-P-C4' energy: -9.870
flat angles P-C4'-P energy: -1.439
tors. eta vs tors. theta energy: -7.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -64.586823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.586823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.586823 (E_RNA)
where:
Base-Base interactions energy: -30.556
where: short stacking energy: -20.689
Base-Backbone interact. energy: 0.576
local terms energy: -34.606131
where:
bonds (distance) C4'-P energy: -9.735
bonds (distance) P-C4' energy: -7.684
flat angles C4'-P-C4' energy: -8.283
flat angles P-C4'-P energy: -5.443
tors. eta vs tors. theta energy: -3.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -63.273959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.273959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.273959 (E_RNA)
where:
Base-Base interactions energy: -23.718
where: short stacking energy: -23.436
Base-Backbone interact. energy: -0.100
local terms energy: -39.455788
where:
bonds (distance) C4'-P energy: -10.123
bonds (distance) P-C4' energy: -10.662
flat angles C4'-P-C4' energy: -6.311
flat angles P-C4'-P energy: -5.516
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)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 4
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -137.436715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.436715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.436715 (E_RNA)
where:
Base-Base interactions energy: -94.671
where: short stacking energy: -43.992
Base-Backbone interact. energy: -0.002
local terms energy: -42.764088
where:
bonds (distance) C4'-P energy: -8.588
bonds (distance) P-C4' energy: -11.339
flat angles C4'-P-C4' energy: -7.661
flat angles P-C4'-P energy: -6.976
tors. eta vs tors. theta energy: -8.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -139.808188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.808188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.808188 (E_RNA)
where:
Base-Base interactions energy: -95.284
where: short stacking energy: -39.707
Base-Backbone interact. energy: -0.374
local terms energy: -44.150334
where:
bonds (distance) C4'-P energy: -9.386
bonds (distance) P-C4' energy: -7.649
flat angles C4'-P-C4' energy: -8.692
flat angles P-C4'-P energy: -8.551
tors. eta vs tors. theta energy: -9.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -141.764960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.764960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.764960 (E_RNA)
where:
Base-Base interactions energy: -98.013
where: short stacking energy: -45.963
Base-Backbone interact. energy: -0.485
local terms energy: -43.267068
where:
bonds (distance) C4'-P energy: -9.105
bonds (distance) P-C4' energy: -7.523
flat angles C4'-P-C4' energy: -8.952
flat angles P-C4'-P energy: -7.199
tors. eta vs tors. theta energy: -10.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -131.567167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.567167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.567167 (E_RNA)
where:
Base-Base interactions energy: -88.011
where: short stacking energy: -37.565
Base-Backbone interact. energy: -0.792
local terms energy: -42.763752
where:
bonds (distance) C4'-P energy: -8.703
bonds (distance) P-C4' energy: -10.845
flat angles C4'-P-C4' energy: -7.183
flat angles P-C4'-P energy: -6.441
tors. eta vs tors. theta energy: -9.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -141.368047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.368047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.368047 (E_RNA)
where:
Base-Base interactions energy: -98.545
where: short stacking energy: -37.456
Base-Backbone interact. energy: -0.155
local terms energy: -42.668024
where:
bonds (distance) C4'-P energy: -8.135
bonds (distance) P-C4' energy: -9.799
flat angles C4'-P-C4' energy: -9.047
flat angles P-C4'-P energy: -5.512
tors. eta vs tors. theta energy: -10.175
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: 6
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -78.707193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.707193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.707193 (E_RNA)
where:
Base-Base interactions energy: -41.107
where: short stacking energy: -31.495
Base-Backbone interact. energy: -0.001
local terms energy: -37.599193
where:
bonds (distance) C4'-P energy: -7.258
bonds (distance) P-C4' energy: -8.908
flat angles C4'-P-C4' energy: -8.263
flat angles P-C4'-P energy: -6.742
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: 7, replica: 3
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -130.097721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.097721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.097721 (E_RNA)
where:
Base-Base interactions energy: -88.612
where: short stacking energy: -40.394
Base-Backbone interact. energy: -0.648
local terms energy: -40.838485
where:
bonds (distance) C4'-P energy: -9.130
bonds (distance) P-C4' energy: -8.855
flat angles C4'-P-C4' energy: -9.867
flat angles P-C4'-P energy: -5.241
tors. eta vs tors. theta energy: -7.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -85.909515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.909515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.909515 (E_RNA)
where:
Base-Base interactions energy: -49.292
where: short stacking energy: -38.658
Base-Backbone interact. energy: -0.004
local terms energy: -36.613678
where:
bonds (distance) C4'-P energy: -8.454
bonds (distance) P-C4' energy: -8.425
flat angles C4'-P-C4' energy: -6.828
flat angles P-C4'-P energy: -4.584
tors. eta vs tors. theta energy: -8.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -57.205674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.205674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.205674 (E_RNA)
where:
Base-Base interactions energy: -26.592
where: short stacking energy: -26.592
Base-Backbone interact. energy: -0.044
local terms energy: -30.569737
where:
bonds (distance) C4'-P energy: -9.573
bonds (distance) P-C4' energy: -5.395
flat angles C4'-P-C4' energy: -4.593
flat angles P-C4'-P energy: -7.226
tors. eta vs tors. theta energy: -3.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -59.968592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.968592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.968592 (E_RNA)
where:
Base-Base interactions energy: -33.058
where: short stacking energy: -27.852
Base-Backbone interact. energy: -0.081
local terms energy: -26.829843
where:
bonds (distance) C4'-P energy: -9.299
bonds (distance) P-C4' energy: -4.995
flat angles C4'-P-C4' energy: -2.786
flat angles P-C4'-P energy: -4.638
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)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 4
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -143.137427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.137427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.137427 (E_RNA)
where:
Base-Base interactions energy: -99.554
where: short stacking energy: -47.004
Base-Backbone interact. energy: -0.331
local terms energy: -43.252302
where:
bonds (distance) C4'-P energy: -10.533
bonds (distance) P-C4' energy: -6.344
flat angles C4'-P-C4' energy: -10.276
flat angles P-C4'-P energy: -6.782
tors. eta vs tors. theta energy: -9.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -140.592446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.592446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.592446 (E_RNA)
where:
Base-Base interactions energy: -98.035
where: short stacking energy: -46.467
Base-Backbone interact. energy: -0.711
local terms energy: -41.846853
where:
bonds (distance) C4'-P energy: -9.485
bonds (distance) P-C4' energy: -9.482
flat angles C4'-P-C4' energy: -9.392
flat angles P-C4'-P energy: -2.913
tors. eta vs tors. theta energy: -10.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -133.834284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.834284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.834284 (E_RNA)
where:
Base-Base interactions energy: -88.996
where: short stacking energy: -35.858
Base-Backbone interact. energy: -0.396
local terms energy: -44.441698
where:
bonds (distance) C4'-P energy: -10.003
bonds (distance) P-C4' energy: -10.423
flat angles C4'-P-C4' energy: -8.963
flat angles P-C4'-P energy: -5.322
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: 4, replica: 5
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -130.047157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.047157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.047157 (E_RNA)
where:
Base-Base interactions energy: -93.439
where: short stacking energy: -37.641
Base-Backbone interact. energy: -0.053
local terms energy: -36.555347
where:
bonds (distance) C4'-P energy: -6.271
bonds (distance) P-C4' energy: -9.799
flat angles C4'-P-C4' energy: -9.581
flat angles P-C4'-P energy: -1.034
tors. eta vs tors. theta energy: -9.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -137.184941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.184941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.184941 (E_RNA)
where:
Base-Base interactions energy: -95.294
where: short stacking energy: -44.470
Base-Backbone interact. energy: -0.599
local terms energy: -41.291978
where:
bonds (distance) C4'-P energy: -7.780
bonds (distance) P-C4' energy: -7.205
flat angles C4'-P-C4' energy: -8.657
flat angles P-C4'-P energy: -7.382
tors. eta vs tors. theta energy: -10.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -131.739709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.739709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.739709 (E_RNA)
where:
Base-Base interactions energy: -87.162
where: short stacking energy: -36.928
Base-Backbone interact. energy: -0.721
local terms energy: -43.856711
where:
bonds (distance) C4'-P energy: -11.079
bonds (distance) P-C4' energy: -11.374
flat angles C4'-P-C4' energy: -7.272
flat angles P-C4'-P energy: -5.958
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: 7, replica: 6
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -76.653762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.653762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.653762 (E_RNA)
where:
Base-Base interactions energy: -51.589
where: short stacking energy: -30.130
Base-Backbone interact. energy: 0.071
local terms energy: -25.135285
where:
bonds (distance) C4'-P energy: -6.943
bonds (distance) P-C4' energy: -8.028
flat angles C4'-P-C4' energy: -2.065
flat angles P-C4'-P energy: -4.133
tors. eta vs tors. theta energy: -3.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -84.178956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.178956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.178956 (E_RNA)
where:
Base-Base interactions energy: -53.053
where: short stacking energy: -20.065
Base-Backbone interact. energy: -0.131
local terms energy: -30.994894
where:
bonds (distance) C4'-P energy: -9.291
bonds (distance) P-C4' energy: -8.841
flat angles C4'-P-C4' energy: -9.693
flat angles P-C4'-P energy: -2.119
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: 9, replica: 7
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -79.700873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.700873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.700873 (E_RNA)
where:
Base-Base interactions energy: -47.376
where: short stacking energy: -28.766
Base-Backbone interact. energy: -0.279
local terms energy: -32.045948
where:
bonds (distance) C4'-P energy: -6.744
bonds (distance) P-C4' energy: -5.154
flat angles C4'-P-C4' energy: -9.933
flat angles P-C4'-P energy: -7.200
tors. eta vs tors. theta energy: -3.015
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: 10, replica: 9
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -62.009332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.009332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.009332 (E_RNA)
where:
Base-Base interactions energy: -30.976
where: short stacking energy: -30.976
Base-Backbone interact. energy: -0.015
local terms energy: -31.018321
where:
bonds (distance) C4'-P energy: -6.257
bonds (distance) P-C4' energy: -8.651
flat angles C4'-P-C4' energy: -4.192
flat angles P-C4'-P energy: -6.691
tors. eta vs tors. theta energy: -5.227
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)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 10
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -140.099964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.099964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.099964 (E_RNA)
where:
Base-Base interactions energy: -94.237
where: short stacking energy: -43.264
Base-Backbone interact. energy: -0.004
local terms energy: -45.858353
where:
bonds (distance) C4'-P energy: -9.601
bonds (distance) P-C4' energy: -9.803
flat angles C4'-P-C4' energy: -10.988
flat angles P-C4'-P energy: -6.044
tors. eta vs tors. theta energy: -9.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -140.235794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.235794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.235794 (E_RNA)
where:
Base-Base interactions energy: -96.689
where: short stacking energy: -46.372
Base-Backbone interact. energy: 0.497
local terms energy: -44.043852
where:
bonds (distance) C4'-P energy: -8.944
bonds (distance) P-C4' energy: -6.794
flat angles C4'-P-C4' energy: -10.704
flat angles P-C4'-P energy: -8.282
tors. eta vs tors. theta energy: -9.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -142.140896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.140896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.140896 (E_RNA)
where:
Base-Base interactions energy: -94.241
where: short stacking energy: -44.946
Base-Backbone interact. energy: -1.524
local terms energy: -46.375403
where:
bonds (distance) C4'-P energy: -9.932
bonds (distance) P-C4' energy: -9.245
flat angles C4'-P-C4' energy: -9.324
flat angles P-C4'-P energy: -8.234
tors. eta vs tors. theta energy: -9.640
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: 8
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -134.240414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.240414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.240414 (E_RNA)
where:
Base-Base interactions energy: -91.110
where: short stacking energy: -38.470
Base-Backbone interact. energy: -0.037
local terms energy: -43.092949
where:
bonds (distance) C4'-P energy: -10.161
bonds (distance) P-C4' energy: -8.861
flat angles C4'-P-C4' energy: -7.148
flat angles P-C4'-P energy: -5.387
tors. eta vs tors. theta energy: -11.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -134.659424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.659424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.659424 (E_RNA)
where:
Base-Base interactions energy: -93.562
where: short stacking energy: -43.640
Base-Backbone interact. energy: -0.016
local terms energy: -41.081462
where:
bonds (distance) C4'-P energy: -8.666
bonds (distance) P-C4' energy: -7.646
flat angles C4'-P-C4' energy: -9.644
flat angles P-C4'-P energy: -5.555
tors. eta vs tors. theta energy: -9.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -128.888794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.888794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.888794 (E_RNA)
where:
Base-Base interactions energy: -92.561
where: short stacking energy: -43.561
Base-Backbone interact. energy: -0.042
local terms energy: -36.285914
where:
bonds (distance) C4'-P energy: -8.687
bonds (distance) P-C4' energy: -8.767
flat angles C4'-P-C4' energy: -7.201
flat angles P-C4'-P energy: -3.463
tors. eta vs tors. theta energy: -8.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -81.079193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.079193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.079193 (E_RNA)
where:
Base-Base interactions energy: -40.876
where: short stacking energy: -40.876
Base-Backbone interact. energy: -0.000
local terms energy: -40.203179
where:
bonds (distance) C4'-P energy: -8.223
bonds (distance) P-C4' energy: -9.327
flat angles C4'-P-C4' energy: -8.473
flat angles P-C4'-P energy: -6.176
tors. eta vs tors. theta energy: -8.005
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: 8, replica: 6
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -56.079068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.079068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.079068 (E_RNA)
where:
Base-Base interactions energy: -29.272
where: short stacking energy: -11.932
Base-Backbone interact. energy: 0.084
local terms energy: -26.890692
where:
bonds (distance) C4'-P energy: -8.856
bonds (distance) P-C4' energy: -8.397
flat angles C4'-P-C4' energy: -4.210
flat angles P-C4'-P energy: -8.217
tors. eta vs tors. theta energy: 2.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -80.492368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.492368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.492368 (E_RNA)
where:
Base-Base interactions energy: -54.003
where: short stacking energy: -32.540
Base-Backbone interact. energy: -0.187
local terms energy: -26.302003
where:
bonds (distance) C4'-P energy: -7.578
bonds (distance) P-C4' energy: -4.243
flat angles C4'-P-C4' energy: -7.795
flat angles P-C4'-P energy: -1.824
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: 9
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -59.491802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.491802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.491802 (E_RNA)
where:
Base-Base interactions energy: -23.910
where: short stacking energy: -23.910
Base-Backbone interact. energy: -0.007
local terms energy: -35.574761
where:
bonds (distance) C4'-P energy: -9.813
bonds (distance) P-C4' energy: -9.767
flat angles C4'-P-C4' energy: -5.700
flat angles P-C4'-P energy: -5.630
tors. eta vs tors. theta energy: -4.664
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)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 10
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -139.010729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.010729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.010729 (E_RNA)
where:
Base-Base interactions energy: -93.041
where: short stacking energy: -43.810
Base-Backbone interact. energy: -1.447
local terms energy: -44.522515
where:
bonds (distance) C4'-P energy: -8.828
bonds (distance) P-C4' energy: -9.077
flat angles C4'-P-C4' energy: -8.110
flat angles P-C4'-P energy: -8.058
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: 2, replica: 5
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -139.391864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.391864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.391864 (E_RNA)
where:
Base-Base interactions energy: -94.937
where: short stacking energy: -42.117
Base-Backbone interact. energy: -1.060
local terms energy: -43.394639
where:
bonds (distance) C4'-P energy: -10.107
bonds (distance) P-C4' energy: -9.675
flat angles C4'-P-C4' energy: -9.493
flat angles P-C4'-P energy: -6.224
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: 3, replica: 4
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -138.160501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.160501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.160501 (E_RNA)
where:
Base-Base interactions energy: -93.237
where: short stacking energy: -41.733
Base-Backbone interact. energy: -0.198
local terms energy: -44.725509
where:
bonds (distance) C4'-P energy: -8.670
bonds (distance) P-C4' energy: -10.842
flat angles C4'-P-C4' energy: -9.049
flat angles P-C4'-P energy: -6.279
tors. eta vs tors. theta energy: -9.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -134.843042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.843042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.843042 (E_RNA)
where:
Base-Base interactions energy: -94.622
where: short stacking energy: -44.241
Base-Backbone interact. energy: -0.003
local terms energy: -40.217832
where:
bonds (distance) C4'-P energy: -6.392
bonds (distance) P-C4' energy: -6.408
flat angles C4'-P-C4' energy: -9.383
flat angles P-C4'-P energy: -7.020
tors. eta vs tors. theta energy: -11.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -143.533200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.533200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.533200 (E_RNA)
where:
Base-Base interactions energy: -106.349
where: short stacking energy: -45.036
Base-Backbone interact. energy: -0.076
local terms energy: -37.107893
where:
bonds (distance) C4'-P energy: -4.468
bonds (distance) P-C4' energy: -10.368
flat angles C4'-P-C4' energy: -5.971
flat angles P-C4'-P energy: -6.799
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: 6, replica: 3
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -133.537846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.537846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.537846 (E_RNA)
where:
Base-Base interactions energy: -90.357
where: short stacking energy: -39.821
Base-Backbone interact. energy: -1.254
local terms energy: -41.926648
where:
bonds (distance) C4'-P energy: -8.269
bonds (distance) P-C4' energy: -11.099
flat angles C4'-P-C4' energy: -8.997
flat angles P-C4'-P energy: -4.773
tors. eta vs tors. theta energy: -8.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -70.364136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.364136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.364136 (E_RNA)
where:
Base-Base interactions energy: -32.234
where: short stacking energy: -26.598
Base-Backbone interact. energy: -0.949
local terms energy: -37.180520
where:
bonds (distance) C4'-P energy: -9.681
bonds (distance) P-C4' energy: -10.665
flat angles C4'-P-C4' energy: -8.514
flat angles P-C4'-P energy: -4.148
tors. eta vs tors. theta energy: -4.172
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: 7
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -65.976442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.976442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.976442 (E_RNA)
where:
Base-Base interactions energy: -30.401
where: short stacking energy: -26.350
Base-Backbone interact. energy: -0.354
local terms energy: -35.220929
where:
bonds (distance) C4'-P energy: -7.201
bonds (distance) P-C4' energy: -9.288
flat angles C4'-P-C4' energy: -7.803
flat angles P-C4'-P energy: -5.440
tors. eta vs tors. theta energy: -5.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -63.086585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.086585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.086585 (E_RNA)
where:
Base-Base interactions energy: -27.805
where: short stacking energy: -27.805
Base-Backbone interact. energy: -0.003
local terms energy: -35.278474
where:
bonds (distance) C4'-P energy: -7.983
bonds (distance) P-C4' energy: -8.136
flat angles C4'-P-C4' energy: -8.256
flat angles P-C4'-P energy: -6.533
tors. eta vs tors. theta energy: -4.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -71.211564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.211564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.211564 (E_RNA)
where:
Base-Base interactions energy: -26.254
where: short stacking energy: -26.254
Base-Backbone interact. energy: -0.000
local terms energy: -44.957642
where:
bonds (distance) C4'-P energy: -8.679
bonds (distance) P-C4' energy: -10.609
flat angles C4'-P-C4' energy: -10.756
flat angles P-C4'-P energy: -6.311
tors. eta vs tors. theta energy: -8.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -145.189623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.189623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.189623 (E_RNA)
where:
Base-Base interactions energy: -105.114
where: short stacking energy: -42.678
Base-Backbone interact. energy: -0.388
local terms energy: -39.687428
where:
bonds (distance) C4'-P energy: -8.187
bonds (distance) P-C4' energy: -10.641
flat angles C4'-P-C4' energy: -9.780
flat angles P-C4'-P energy: 0.276
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: 2, replica: 10
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -141.821015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.821015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.821015 (E_RNA)
where:
Base-Base interactions energy: -93.972
where: short stacking energy: -44.667
Base-Backbone interact. energy: -0.315
local terms energy: -47.533930
where:
bonds (distance) C4'-P energy: -10.268
bonds (distance) P-C4' energy: -10.118
flat angles C4'-P-C4' energy: -9.742
flat angles P-C4'-P energy: -8.179
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: 3, replica: 4
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -134.874999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.874999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.874999 (E_RNA)
where:
Base-Base interactions energy: -90.101
where: short stacking energy: -43.198
Base-Backbone interact. energy: 0.045
local terms energy: -44.819431
where:
bonds (distance) C4'-P energy: -7.879
bonds (distance) P-C4' energy: -8.741
flat angles C4'-P-C4' energy: -10.222
flat angles P-C4'-P energy: -8.499
tors. eta vs tors. theta energy: -9.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -131.364283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.364283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.364283 (E_RNA)
where:
Base-Base interactions energy: -92.088
where: short stacking energy: -42.906
Base-Backbone interact. energy: -0.127
local terms energy: -39.149912
where:
bonds (distance) C4'-P energy: -8.749
bonds (distance) P-C4' energy: -8.879
flat angles C4'-P-C4' energy: -7.505
flat angles P-C4'-P energy: -4.166
tors. eta vs tors. theta energy: -9.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -129.045455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.045455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.045455 (E_RNA)
where:
Base-Base interactions energy: -94.309
where: short stacking energy: -44.503
Base-Backbone interact. energy: -0.060
local terms energy: -34.676115
where:
bonds (distance) C4'-P energy: -7.532
bonds (distance) P-C4' energy: -8.010
flat angles C4'-P-C4' energy: -6.370
flat angles P-C4'-P energy: -4.457
tors. eta vs tors. theta energy: -8.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -135.366985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.366985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.366985 (E_RNA)
where:
Base-Base interactions energy: -100.015
where: short stacking energy: -37.687
Base-Backbone interact. energy: -0.001
local terms energy: -35.351312
where:
bonds (distance) C4'-P energy: -7.532
bonds (distance) P-C4' energy: -11.342
flat angles C4'-P-C4' energy: -7.397
flat angles P-C4'-P energy: 1.181
tors. eta vs tors. theta energy: -10.261
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: 7, replica: 2
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -72.285320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.285320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.285320 (E_RNA)
where:
Base-Base interactions energy: -39.569
where: short stacking energy: -31.393
Base-Backbone interact. energy: -0.182
local terms energy: -32.534204
where:
bonds (distance) C4'-P energy: -5.620
bonds (distance) P-C4' energy: -10.109
flat angles C4'-P-C4' energy: -6.815
flat angles P-C4'-P energy: -5.122
tors. eta vs tors. theta energy: -4.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -62.721298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.721298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.721298 (E_RNA)
where:
Base-Base interactions energy: -30.133
where: short stacking energy: -26.690
Base-Backbone interact. energy: -0.102
local terms energy: -32.486483
where:
bonds (distance) C4'-P energy: -7.958
bonds (distance) P-C4' energy: -8.855
flat angles C4'-P-C4' energy: -8.217
flat angles P-C4'-P energy: -4.391
tors. eta vs tors. theta energy: -3.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -54.497903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.497903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.497903 (E_RNA)
where:
Base-Base interactions energy: -29.339
where: short stacking energy: -23.198
Base-Backbone interact. energy: -0.104
local terms energy: -25.055029
where:
bonds (distance) C4'-P energy: -6.928
bonds (distance) P-C4' energy: -7.390
flat angles C4'-P-C4' energy: -6.487
flat angles P-C4'-P energy: -4.578
tors. eta vs tors. theta energy: 0.328
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: 10, replica: 6
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -67.215042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.215042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.215042 (E_RNA)
where:
Base-Base interactions energy: -28.837
where: short stacking energy: -27.434
Base-Backbone interact. energy: -0.000
local terms energy: -38.378022
where:
bonds (distance) C4'-P energy: -8.818
bonds (distance) P-C4' energy: -8.043
flat angles C4'-P-C4' energy: -7.119
flat angles P-C4'-P energy: -5.251
tors. eta vs tors. theta energy: -9.146
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)
DONE
DONE