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/MALAT1-17er-25351474/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MALAT1-17er-25351474/inputs/seq.fa: 1
curr_seq: _UUAAGAUUAUUUUUUAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUAAGAUUAUUUUUUAA
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 17 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: 90
n_atoms_counter: 90
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 17.000000 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/MALAT1-17er-25351474/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MALAT1-17er-25351474/inputs/seq.fa: 1
curr_seq: _UUAAGAUUAUUUUUUAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUAAGAUUAUUUUUUAA
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 17 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: 90
n_atoms_counter: 90
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 17.000000 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/MALAT1-17er-25351474/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MALAT1-17er-25351474/inputs/seq.fa: 1
curr_seq: _UUAAGAUUAUUUUUUAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUAAGAUUAUUUUUUAA
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 17 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: 90
n_atoms_counter: 90
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 17.000000 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/MALAT1-17er-25351474/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MALAT1-17er-25351474/inputs/seq.fa: 1
curr_seq: _UUAAGAUUAUUUUUUAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUAAGAUUAUUUUUUAA
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 17 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: 90
n_atoms_counter: 90
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 17.000000 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/MALAT1-17er-25351474/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MALAT1-17er-25351474/inputs/seq.fa: 1
curr_seq: _UUAAGAUUAUUUUUUAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUAAGAUUAUUUUUUAA
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 17 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: 90
n_atoms_counter: 90
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 17.000000 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/MALAT1-17er-25351474/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MALAT1-17er-25351474/inputs/seq.fa: 1
curr_seq: _UUAAGAUUAUUUUUUAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUAAGAUUAUUUUUUAA
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 17 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: 90
n_atoms_counter: 90
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 17.000000 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/MALAT1-17er-25351474/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MALAT1-17er-25351474/inputs/seq.fa: 1
curr_seq: _UUAAGAUUAUUUUUUAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUAAGAUUAUUUUUUAA
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 17 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: 90
n_atoms_counter: 90
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 17.000000 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/MALAT1-17er-25351474/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MALAT1-17er-25351474/inputs/seq.fa: 1
curr_seq: _UUAAGAUUAUUUUUUAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUAAGAUUAUUUUUUAA
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 17 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: 90
n_atoms_counter: 90
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 17.000000 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/MALAT1-17er-25351474/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MALAT1-17er-25351474/inputs/seq.fa: 1
curr_seq: _UUAAGAUUAUUUUUUAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUAAGAUUAUUUUUUAA
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 17 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: 90
n_atoms_counter: 90
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 17.000000 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/MALAT1-17er-25351474/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MALAT1-17er-25351474/inputs/seq.fa: 1
curr_seq: _UUAAGAUUAUUUUUUAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUAAGAUUAUUUUUUAA
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 17 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: 90
n_atoms_counter: 90
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 17.000000 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: -61.494472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.494472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.494472 (E_RNA)
where:
Base-Base interactions energy: -1.383
where: short stacking energy: -1.383
Base-Backbone interact. energy: -0.000
local terms energy: -60.111007
where:
bonds (distance) C4'-P energy: -16.517
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -12.482
flat angles P-C4'-P energy: -14.278
tors. eta vs tors. theta energy: -0.731
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: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -61.494472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.494472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.494472 (E_RNA)
where:
Base-Base interactions energy: -1.383
where: short stacking energy: -1.383
Base-Backbone interact. energy: -0.000
local terms energy: -60.111007
where:
bonds (distance) C4'-P energy: -16.517
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -12.482
flat angles P-C4'-P energy: -14.278
tors. eta vs tors. theta energy: -0.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -61.494472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.494472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.494472 (E_RNA)
where:
Base-Base interactions energy: -1.383
where: short stacking energy: -1.383
Base-Backbone interact. energy: -0.000
local terms energy: -60.111007
where:
bonds (distance) C4'-P energy: -16.517
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -12.482
flat angles P-C4'-P energy: -14.278
tors. eta vs tors. theta energy: -0.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -61.494472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.494472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.494472 (E_RNA)
where:
Base-Base interactions energy: -1.383
where: short stacking energy: -1.383
Base-Backbone interact. energy: -0.000
local terms energy: -60.111007
where:
bonds (distance) C4'-P energy: -16.517
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -12.482
flat angles P-C4'-P energy: -14.278
tors. eta vs tors. theta energy: -0.731
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: 1
Temperature: 1.100000
Total energy: -61.494472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.494472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.494472 (E_RNA)
where:
Base-Base interactions energy: -1.383
where: short stacking energy: -1.383
Base-Backbone interact. energy: -0.000
local terms energy: -60.111007
where:
bonds (distance) C4'-P energy: -16.517
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -12.482
flat angles P-C4'-P energy: -14.278
tors. eta vs tors. theta energy: -0.731
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: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -61.494472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.494472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.494472 (E_RNA)
where:
Base-Base interactions energy: -1.383
where: short stacking energy: -1.383
Base-Backbone interact. energy: -0.000
local terms energy: -60.111007
where:
bonds (distance) C4'-P energy: -16.517
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -12.482
flat angles P-C4'-P energy: -14.278
tors. eta vs tors. theta energy: -0.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -61.494472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.494472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.494472 (E_RNA)
where:
Base-Base interactions energy: -1.383
where: short stacking energy: -1.383
Base-Backbone interact. energy: -0.000
local terms energy: -60.111007
where:
bonds (distance) C4'-P energy: -16.517
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -12.482
flat angles P-C4'-P energy: -14.278
tors. eta vs tors. theta energy: -0.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -61.494472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.494472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.494472 (E_RNA)
where:
Base-Base interactions energy: -1.383
where: short stacking energy: -1.383
Base-Backbone interact. energy: -0.000
local terms energy: -60.111007
where:
bonds (distance) C4'-P energy: -16.517
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -12.482
flat angles P-C4'-P energy: -14.278
tors. eta vs tors. theta energy: -0.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -61.494472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.494472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.494472 (E_RNA)
where:
Base-Base interactions energy: -1.383
where: short stacking energy: -1.383
Base-Backbone interact. energy: -0.000
local terms energy: -60.111007
where:
bonds (distance) C4'-P energy: -16.517
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -12.482
flat angles P-C4'-P energy: -14.278
tors. eta vs tors. theta energy: -0.731
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: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -61.494472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.494472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.494472 (E_RNA)
where:
Base-Base interactions energy: -1.383
where: short stacking energy: -1.383
Base-Backbone interact. energy: -0.000
local terms energy: -60.111007
where:
bonds (distance) C4'-P energy: -16.517
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -12.482
flat angles P-C4'-P energy: -14.278
tors. eta vs tors. theta energy: -0.731
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: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -119.092120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.092120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.092120 (E_RNA)
where:
Base-Base interactions energy: -65.320
where: short stacking energy: -32.849
Base-Backbone interact. energy: -1.228
local terms energy: -52.543547
where:
bonds (distance) C4'-P energy: -12.179
bonds (distance) P-C4' energy: -12.724
flat angles C4'-P-C4' energy: -10.470
flat angles P-C4'-P energy: -9.270
tors. eta vs tors. theta energy: -7.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -111.574004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.574004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.574004 (E_RNA)
where:
Base-Base interactions energy: -59.910
where: short stacking energy: -31.410
Base-Backbone interact. energy: -0.044
local terms energy: -51.619310
where:
bonds (distance) C4'-P energy: -12.699
bonds (distance) P-C4' energy: -14.058
flat angles C4'-P-C4' energy: -13.237
flat angles P-C4'-P energy: -3.614
tors. eta vs tors. theta energy: -8.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -133.628871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.628871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.628871 (E_RNA)
where:
Base-Base interactions energy: -91.535
where: short stacking energy: -32.739
Base-Backbone interact. energy: 1.484
local terms energy: -43.578211
where:
bonds (distance) C4'-P energy: -8.883
bonds (distance) P-C4' energy: -12.631
flat angles C4'-P-C4' energy: -9.235
flat angles P-C4'-P energy: -6.121
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: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -110.747696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.747696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.747696 (E_RNA)
where:
Base-Base interactions energy: -68.845
where: short stacking energy: -29.903
Base-Backbone interact. energy: -0.037
local terms energy: -41.866178
where:
bonds (distance) C4'-P energy: -12.181
bonds (distance) P-C4' energy: -9.471
flat angles C4'-P-C4' energy: -8.380
flat angles P-C4'-P energy: -9.024
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: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -90.683826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.683826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.683826 (E_RNA)
where:
Base-Base interactions energy: -48.106
where: short stacking energy: -14.614
Base-Backbone interact. energy: -1.139
local terms energy: -41.439651
where:
bonds (distance) C4'-P energy: -11.242
bonds (distance) P-C4' energy: -13.733
flat angles C4'-P-C4' energy: -9.122
flat angles P-C4'-P energy: -6.839
tors. eta vs tors. theta energy: -0.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -78.309928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.309928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.309928 (E_RNA)
where:
Base-Base interactions energy: -35.427
where: short stacking energy: -15.867
Base-Backbone interact. energy: -0.344
local terms energy: -42.538267
where:
bonds (distance) C4'-P energy: -11.244
bonds (distance) P-C4' energy: -9.816
flat angles C4'-P-C4' energy: -12.321
flat angles P-C4'-P energy: -8.143
tors. eta vs tors. theta energy: -1.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -65.777242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.777242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.777242 (E_RNA)
where:
Base-Base interactions energy: -22.027
where: short stacking energy: -16.834
Base-Backbone interact. energy: -0.116
local terms energy: -43.635119
where:
bonds (distance) C4'-P energy: -9.889
bonds (distance) P-C4' energy: -13.202
flat angles C4'-P-C4' energy: -11.985
flat angles P-C4'-P energy: -8.374
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: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -81.479574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.479574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.479574 (E_RNA)
where:
Base-Base interactions energy: -44.866
where: short stacking energy: -20.274
Base-Backbone interact. energy: -0.285
local terms energy: -36.328717
where:
bonds (distance) C4'-P energy: -8.577
bonds (distance) P-C4' energy: -10.915
flat angles C4'-P-C4' energy: -11.418
flat angles P-C4'-P energy: -3.894
tors. eta vs tors. theta energy: -1.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -62.061145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.061145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.061145 (E_RNA)
where:
Base-Base interactions energy: -23.626
where: short stacking energy: -9.543
Base-Backbone interact. energy: -0.527
local terms energy: -37.907727
where:
bonds (distance) C4'-P energy: -7.021
bonds (distance) P-C4' energy: -12.032
flat angles C4'-P-C4' energy: -10.959
flat angles P-C4'-P energy: -6.690
tors. eta vs tors. theta energy: -1.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -65.326694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.326694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.326694 (E_RNA)
where:
Base-Base interactions energy: -28.355
where: short stacking energy: -15.639
Base-Backbone interact. energy: -0.025
local terms energy: -36.946274
where:
bonds (distance) C4'-P energy: -10.320
bonds (distance) P-C4' energy: -8.325
flat angles C4'-P-C4' energy: -11.068
flat angles P-C4'-P energy: -5.006
tors. eta vs tors. theta energy: -2.226
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: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -137.802004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.802004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.802004 (E_RNA)
where:
Base-Base interactions energy: -88.601
where: short stacking energy: -42.075
Base-Backbone interact. energy: 0.825
local terms energy: -50.025886
where:
bonds (distance) C4'-P energy: -10.689
bonds (distance) P-C4' energy: -12.037
flat angles C4'-P-C4' energy: -8.087
flat angles P-C4'-P energy: -7.387
tors. eta vs tors. theta energy: -11.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -133.723603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.723603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.723603 (E_RNA)
where:
Base-Base interactions energy: -78.619
where: short stacking energy: -28.672
Base-Backbone interact. energy: -0.273
local terms energy: -54.830855
where:
bonds (distance) C4'-P energy: -11.893
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -9.533
flat angles P-C4'-P energy: -10.721
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: 3, replica: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -94.885410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.885410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.885410 (E_RNA)
where:
Base-Base interactions energy: -51.117
where: short stacking energy: -15.243
Base-Backbone interact. energy: -0.034
local terms energy: -43.734866
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -11.891
flat angles C4'-P-C4' energy: -10.253
flat angles P-C4'-P energy: -5.137
tors. eta vs tors. theta energy: -3.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -115.956101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.956101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.956101 (E_RNA)
where:
Base-Base interactions energy: -65.983
where: short stacking energy: -32.609
Base-Backbone interact. energy: -0.031
local terms energy: -49.942136
where:
bonds (distance) C4'-P energy: -12.821
bonds (distance) P-C4' energy: -12.316
flat angles C4'-P-C4' energy: -10.891
flat angles P-C4'-P energy: -5.700
tors. eta vs tors. theta energy: -8.215
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: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -80.394834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.394834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.394834 (E_RNA)
where:
Base-Base interactions energy: -38.033
where: short stacking energy: -27.446
Base-Backbone interact. energy: -0.157
local terms energy: -42.204644
where:
bonds (distance) C4'-P energy: -11.872
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -7.597
flat angles P-C4'-P energy: -5.251
tors. eta vs tors. theta energy: -2.595
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: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -82.755202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.755202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.755202 (E_RNA)
where:
Base-Base interactions energy: -35.309
where: short stacking energy: -24.180
Base-Backbone interact. energy: -0.266
local terms energy: -47.180596
where:
bonds (distance) C4'-P energy: -11.463
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -11.081
flat angles P-C4'-P energy: -8.425
tors. eta vs tors. theta energy: -1.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -67.366328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.366328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.366328 (E_RNA)
where:
Base-Base interactions energy: -25.488
where: short stacking energy: -19.788
Base-Backbone interact. energy: -0.041
local terms energy: -41.837393
where:
bonds (distance) C4'-P energy: -10.986
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -10.285
flat angles P-C4'-P energy: -7.030
tors. eta vs tors. theta energy: 0.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -77.473538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.473538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.473538 (E_RNA)
where:
Base-Base interactions energy: -33.621
where: short stacking energy: -16.737
Base-Backbone interact. energy: -0.214
local terms energy: -43.638765
where:
bonds (distance) C4'-P energy: -12.406
bonds (distance) P-C4' energy: -13.339
flat angles C4'-P-C4' energy: -10.506
flat angles P-C4'-P energy: -3.607
tors. eta vs tors. theta energy: -3.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -66.174595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.174595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.174595 (E_RNA)
where:
Base-Base interactions energy: -21.337
where: short stacking energy: -11.052
Base-Backbone interact. energy: -0.436
local terms energy: -44.401596
where:
bonds (distance) C4'-P energy: -13.860
bonds (distance) P-C4' energy: -13.090
flat angles C4'-P-C4' energy: -11.321
flat angles P-C4'-P energy: -5.892
tors. eta vs tors. theta energy: -0.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -57.361641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.361641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.361641 (E_RNA)
where:
Base-Base interactions energy: -22.286
where: short stacking energy: -14.723
Base-Backbone interact. energy: -0.127
local terms energy: -34.948373
where:
bonds (distance) C4'-P energy: -9.705
bonds (distance) P-C4' energy: -12.119
flat angles C4'-P-C4' energy: -12.806
flat angles P-C4'-P energy: -2.185
tors. eta vs tors. theta energy: 1.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -149.026739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.026739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.026739 (E_RNA)
where:
Base-Base interactions energy: -93.878
where: short stacking energy: -25.008
Base-Backbone interact. energy: -0.077
local terms energy: -55.071866
where:
bonds (distance) C4'-P energy: -14.749
bonds (distance) P-C4' energy: -13.378
flat angles C4'-P-C4' energy: -8.920
flat angles P-C4'-P energy: -6.435
tors. eta vs tors. theta energy: -11.591
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: 3
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -141.275445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.275445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.275445 (E_RNA)
where:
Base-Base interactions energy: -91.620
where: short stacking energy: -30.501
Base-Backbone interact. energy: -0.560
local terms energy: -49.095137
where:
bonds (distance) C4'-P energy: -11.176
bonds (distance) P-C4' energy: -13.417
flat angles C4'-P-C4' energy: -11.066
flat angles P-C4'-P energy: -5.644
tors. eta vs tors. theta energy: -7.793
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: 4
Temperature: 1.000000
Total energy: -138.559641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.559641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.559641 (E_RNA)
where:
Base-Base interactions energy: -87.993
where: short stacking energy: -34.924
Base-Backbone interact. energy: -0.195
local terms energy: -50.371802
where:
bonds (distance) C4'-P energy: -12.021
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -9.542
flat angles P-C4'-P energy: -2.682
tors. eta vs tors. theta energy: -11.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -83.252593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.252593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.252593 (E_RNA)
where:
Base-Base interactions energy: -40.349
where: short stacking energy: -21.548
Base-Backbone interact. energy: -0.160
local terms energy: -42.743275
where:
bonds (distance) C4'-P energy: -12.432
bonds (distance) P-C4' energy: -11.623
flat angles C4'-P-C4' energy: -9.178
flat angles P-C4'-P energy: -6.302
tors. eta vs tors. theta energy: -3.208
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: 5
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -67.069051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.069051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.069051 (E_RNA)
where:
Base-Base interactions energy: -29.022
where: short stacking energy: -16.531
Base-Backbone interact. energy: -0.195
local terms energy: -37.852211
where:
bonds (distance) C4'-P energy: -7.928
bonds (distance) P-C4' energy: -12.540
flat angles C4'-P-C4' energy: -10.796
flat angles P-C4'-P energy: -8.057
tors. eta vs tors. theta energy: 1.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -67.952364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.952364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.952364 (E_RNA)
where:
Base-Base interactions energy: -32.843
where: short stacking energy: -13.444
Base-Backbone interact. energy: -0.580
local terms energy: -34.529258
where:
bonds (distance) C4'-P energy: -8.822
bonds (distance) P-C4' energy: -8.055
flat angles C4'-P-C4' energy: -8.190
flat angles P-C4'-P energy: -6.710
tors. eta vs tors. theta energy: -2.753
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: 8
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -58.410482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.410482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.410482 (E_RNA)
where:
Base-Base interactions energy: -17.491
where: short stacking energy: -17.491
Base-Backbone interact. energy: -0.893
local terms energy: -40.025823
where:
bonds (distance) C4'-P energy: -11.139
bonds (distance) P-C4' energy: -10.404
flat angles C4'-P-C4' energy: -8.654
flat angles P-C4'-P energy: -5.038
tors. eta vs tors. theta energy: -4.790
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: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -65.150601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.150601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.150601 (E_RNA)
where:
Base-Base interactions energy: -25.958
where: short stacking energy: -21.834
Base-Backbone interact. energy: 2.998
local terms energy: -42.191013
where:
bonds (distance) C4'-P energy: -8.924
bonds (distance) P-C4' energy: -12.072
flat angles C4'-P-C4' energy: -10.858
flat angles P-C4'-P energy: -5.611
tors. eta vs tors. theta energy: -4.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -77.473224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.473224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.473224 (E_RNA)
where:
Base-Base interactions energy: -38.935
where: short stacking energy: -10.373
Base-Backbone interact. energy: -0.155
local terms energy: -38.383622
where:
bonds (distance) C4'-P energy: -9.174
bonds (distance) P-C4' energy: -10.485
flat angles C4'-P-C4' energy: -14.221
flat angles P-C4'-P energy: -6.694
tors. eta vs tors. theta energy: 2.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -59.889019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.889019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.889019 (E_RNA)
where:
Base-Base interactions energy: -19.254
where: short stacking energy: -13.017
Base-Backbone interact. energy: -0.073
local terms energy: -40.561715
where:
bonds (distance) C4'-P energy: -10.983
bonds (distance) P-C4' energy: -14.051
flat angles C4'-P-C4' energy: -12.000
flat angles P-C4'-P energy: -7.632
tors. eta vs tors. theta energy: 4.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -150.571477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.571477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.571477 (E_RNA)
where:
Base-Base interactions energy: -91.999
where: short stacking energy: -40.467
Base-Backbone interact. energy: -0.012
local terms energy: -58.560422
where:
bonds (distance) C4'-P energy: -14.340
bonds (distance) P-C4' energy: -10.237
flat angles C4'-P-C4' energy: -10.676
flat angles P-C4'-P energy: -11.367
tors. eta vs tors. theta energy: -11.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -135.821531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.821531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.821531 (E_RNA)
where:
Base-Base interactions energy: -83.340
where: short stacking energy: -25.554
Base-Backbone interact. energy: -1.141
local terms energy: -51.340477
where:
bonds (distance) C4'-P energy: -14.029
bonds (distance) P-C4' energy: -12.398
flat angles C4'-P-C4' energy: -13.571
flat angles P-C4'-P energy: -8.237
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: 3, replica: 4
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -133.095220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.095220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.095220 (E_RNA)
where:
Base-Base interactions energy: -81.063
where: short stacking energy: -43.019
Base-Backbone interact. energy: -0.036
local terms energy: -51.995919
where:
bonds (distance) C4'-P energy: -14.153
bonds (distance) P-C4' energy: -10.245
flat angles C4'-P-C4' energy: -13.669
flat angles P-C4'-P energy: -0.345
tors. eta vs tors. theta energy: -13.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -103.491841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.491841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.491841 (E_RNA)
where:
Base-Base interactions energy: -55.444
where: short stacking energy: -31.504
Base-Backbone interact. energy: -0.241
local terms energy: -47.807118
where:
bonds (distance) C4'-P energy: -12.887
bonds (distance) P-C4' energy: -11.373
flat angles C4'-P-C4' energy: -11.250
flat angles P-C4'-P energy: -6.147
tors. eta vs tors. theta energy: -6.151
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: 5
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -111.564406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.564406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.564406 (E_RNA)
where:
Base-Base interactions energy: -64.201
where: short stacking energy: -26.362
Base-Backbone interact. energy: -0.023
local terms energy: -47.340093
where:
bonds (distance) C4'-P energy: -12.175
bonds (distance) P-C4' energy: -9.448
flat angles C4'-P-C4' energy: -12.653
flat angles P-C4'-P energy: -6.505
tors. eta vs tors. theta energy: -6.559
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: 8
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -68.919054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.919054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.919054 (E_RNA)
where:
Base-Base interactions energy: -26.599
where: short stacking energy: -21.810
Base-Backbone interact. energy: -0.267
local terms energy: -42.052883
where:
bonds (distance) C4'-P energy: -12.570
bonds (distance) P-C4' energy: -8.944
flat angles C4'-P-C4' energy: -8.201
flat angles P-C4'-P energy: -9.805
tors. eta vs tors. theta energy: -2.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -80.043716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.043716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.043716 (E_RNA)
where:
Base-Base interactions energy: -35.216
where: short stacking energy: -11.716
Base-Backbone interact. energy: -0.170
local terms energy: -44.656996
where:
bonds (distance) C4'-P energy: -14.749
bonds (distance) P-C4' energy: -12.825
flat angles C4'-P-C4' energy: -10.811
flat angles P-C4'-P energy: -7.244
tors. eta vs tors. theta energy: 0.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -62.446386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.446386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.446386 (E_RNA)
where:
Base-Base interactions energy: -21.184
where: short stacking energy: -21.184
Base-Backbone interact. energy: 1.986
local terms energy: -43.248361
where:
bonds (distance) C4'-P energy: -14.154
bonds (distance) P-C4' energy: -13.898
flat angles C4'-P-C4' energy: -5.544
flat angles P-C4'-P energy: -7.268
tors. eta vs tors. theta energy: -2.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -60.107227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.107227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.107227 (E_RNA)
where:
Base-Base interactions energy: -17.679
where: short stacking energy: -12.151
Base-Backbone interact. energy: -0.090
local terms energy: -42.338203
where:
bonds (distance) C4'-P energy: -9.776
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -11.651
flat angles P-C4'-P energy: -3.264
tors. eta vs tors. theta energy: -4.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -57.337302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.337302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.337302 (E_RNA)
where:
Base-Base interactions energy: -19.219
where: short stacking energy: -9.063
Base-Backbone interact. energy: 0.208
local terms energy: -38.326304
where:
bonds (distance) C4'-P energy: -8.614
bonds (distance) P-C4' energy: -11.423
flat angles C4'-P-C4' energy: -9.705
flat angles P-C4'-P energy: -9.236
tors. eta vs tors. theta energy: 0.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -132.545383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.545383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.545383 (E_RNA)
where:
Base-Base interactions energy: -81.030
where: short stacking energy: -18.506
Base-Backbone interact. energy: -3.464
local terms energy: -48.051715
where:
bonds (distance) C4'-P energy: -10.431
bonds (distance) P-C4' energy: -12.960
flat angles C4'-P-C4' energy: -11.734
flat angles P-C4'-P energy: -8.565
tors. eta vs tors. theta energy: -4.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -135.827313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.827313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.827313 (E_RNA)
where:
Base-Base interactions energy: -85.523
where: short stacking energy: -32.416
Base-Backbone interact. energy: -0.382
local terms energy: -49.922228
where:
bonds (distance) C4'-P energy: -13.930
bonds (distance) P-C4' energy: -11.229
flat angles C4'-P-C4' energy: -11.537
flat angles P-C4'-P energy: -4.557
tors. eta vs tors. theta energy: -8.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -121.593669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.593669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.593669 (E_RNA)
where:
Base-Base interactions energy: -74.991
where: short stacking energy: -15.892
Base-Backbone interact. energy: -0.442
local terms energy: -46.160378
where:
bonds (distance) C4'-P energy: -13.338
bonds (distance) P-C4' energy: -13.821
flat angles C4'-P-C4' energy: -10.956
flat angles P-C4'-P energy: -4.578
tors. eta vs tors. theta energy: -3.468
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: 4
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -145.944555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.944555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.944555 (E_RNA)
where:
Base-Base interactions energy: -94.975
where: short stacking energy: -30.099
Base-Backbone interact. energy: -0.253
local terms energy: -50.716069
where:
bonds (distance) C4'-P energy: -11.081
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -9.559
flat angles P-C4'-P energy: -7.747
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: 5
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -121.635874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.635874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.635874 (E_RNA)
where:
Base-Base interactions energy: -89.832
where: short stacking energy: -9.681
Base-Backbone interact. energy: -0.272
local terms energy: -31.532035
where:
bonds (distance) C4'-P energy: -6.429
bonds (distance) P-C4' energy: -12.230
flat angles C4'-P-C4' energy: -12.636
flat angles P-C4'-P energy: -1.434
tors. eta vs tors. theta energy: 1.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -67.605516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.605516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.605516 (E_RNA)
where:
Base-Base interactions energy: -30.836
where: short stacking energy: -13.555
Base-Backbone interact. energy: -0.010
local terms energy: -36.759511
where:
bonds (distance) C4'-P energy: -11.078
bonds (distance) P-C4' energy: -11.070
flat angles C4'-P-C4' energy: -6.240
flat angles P-C4'-P energy: -7.793
tors. eta vs tors. theta energy: -0.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -105.974252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.974252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.974252 (E_RNA)
where:
Base-Base interactions energy: -58.083
where: short stacking energy: -23.984
Base-Backbone interact. energy: -0.251
local terms energy: -47.640372
where:
bonds (distance) C4'-P energy: -11.400
bonds (distance) P-C4' energy: -13.150
flat angles C4'-P-C4' energy: -10.226
flat angles P-C4'-P energy: -5.625
tors. eta vs tors. theta energy: -7.240
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: 9
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -62.437679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.437679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.437679 (E_RNA)
where:
Base-Base interactions energy: -16.473
where: short stacking energy: -15.804
Base-Backbone interact. energy: -0.361
local terms energy: -45.603351
where:
bonds (distance) C4'-P energy: -9.741
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -10.901
flat angles P-C4'-P energy: -5.000
tors. eta vs tors. theta energy: -5.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -63.095887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.095887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.095887 (E_RNA)
where:
Base-Base interactions energy: -22.971
where: short stacking energy: -18.789
Base-Backbone interact. energy: 0.775
local terms energy: -40.899851
where:
bonds (distance) C4'-P energy: -11.604
bonds (distance) P-C4' energy: -12.253
flat angles C4'-P-C4' energy: -7.602
flat angles P-C4'-P energy: -7.084
tors. eta vs tors. theta energy: -2.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -58.962352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.962352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.962352 (E_RNA)
where:
Base-Base interactions energy: -17.304
where: short stacking energy: -9.770
Base-Backbone interact. energy: -0.364
local terms energy: -41.294270
where:
bonds (distance) C4'-P energy: -11.996
bonds (distance) P-C4' energy: -11.620
flat angles C4'-P-C4' energy: -10.890
flat angles P-C4'-P energy: -8.468
tors. eta vs tors. theta energy: 1.680
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: 3
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -131.917349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.917349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.917349 (E_RNA)
where:
Base-Base interactions energy: -79.267
where: short stacking energy: -32.175
Base-Backbone interact. energy: -0.924
local terms energy: -51.726216
where:
bonds (distance) C4'-P energy: -11.043
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -10.736
flat angles P-C4'-P energy: -6.618
tors. eta vs tors. theta energy: -8.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -142.044025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.044025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.044025 (E_RNA)
where:
Base-Base interactions energy: -86.661
where: short stacking energy: -33.176
Base-Backbone interact. energy: 0.275
local terms energy: -55.658596
where:
bonds (distance) C4'-P energy: -11.819
bonds (distance) P-C4' energy: -13.659
flat angles C4'-P-C4' energy: -10.591
flat angles P-C4'-P energy: -9.692
tors. eta vs tors. theta energy: -9.899
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: 2
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -110.651297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.651297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.651297 (E_RNA)
where:
Base-Base interactions energy: -66.556
where: short stacking energy: -35.416
Base-Backbone interact. energy: -0.009
local terms energy: -44.086134
where:
bonds (distance) C4'-P energy: -5.589
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -12.710
flat angles P-C4'-P energy: -2.300
tors. eta vs tors. theta energy: -8.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -142.681831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.681831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.681831 (E_RNA)
where:
Base-Base interactions energy: -84.950
where: short stacking energy: -36.620
Base-Backbone interact. energy: -0.253
local terms energy: -57.478059
where:
bonds (distance) C4'-P energy: -11.794
bonds (distance) P-C4' energy: -11.754
flat angles C4'-P-C4' energy: -14.568
flat angles P-C4'-P energy: -9.997
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: 5, replica: 5
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -106.292953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.292953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.292953 (E_RNA)
where:
Base-Base interactions energy: -58.657
where: short stacking energy: -27.036
Base-Backbone interact. energy: -0.026
local terms energy: -47.609952
where:
bonds (distance) C4'-P energy: -12.030
bonds (distance) P-C4' energy: -8.872
flat angles C4'-P-C4' energy: -11.676
flat angles P-C4'-P energy: -6.059
tors. eta vs tors. theta energy: -8.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -102.840761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.840761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.840761 (E_RNA)
where:
Base-Base interactions energy: -57.847
where: short stacking energy: -23.725
Base-Backbone interact. energy: 1.169
local terms energy: -46.162944
where:
bonds (distance) C4'-P energy: -11.976
bonds (distance) P-C4' energy: -13.665
flat angles C4'-P-C4' energy: -10.868
flat angles P-C4'-P energy: -6.391
tors. eta vs tors. theta energy: -3.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -75.662796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.662796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.662796 (E_RNA)
where:
Base-Base interactions energy: -29.307
where: short stacking energy: -29.307
Base-Backbone interact. energy: -0.050
local terms energy: -46.306302
where:
bonds (distance) C4'-P energy: -12.517
bonds (distance) P-C4' energy: -11.401
flat angles C4'-P-C4' energy: -5.706
flat angles P-C4'-P energy: -6.117
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: 8, replica: 10
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -85.145921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.145921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.145921 (E_RNA)
where:
Base-Base interactions energy: -34.329
where: short stacking energy: -18.748
Base-Backbone interact. energy: -0.416
local terms energy: -50.400234
where:
bonds (distance) C4'-P energy: -8.911
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -13.625
flat angles P-C4'-P energy: -7.943
tors. eta vs tors. theta energy: -6.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -61.431192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.431192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.431192 (E_RNA)
where:
Base-Base interactions energy: -17.354
where: short stacking energy: -17.335
Base-Backbone interact. energy: -0.127
local terms energy: -43.949910
where:
bonds (distance) C4'-P energy: -9.080
bonds (distance) P-C4' energy: -13.936
flat angles C4'-P-C4' energy: -11.026
flat angles P-C4'-P energy: -5.370
tors. eta vs tors. theta energy: -4.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -60.016743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.016743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.016743 (E_RNA)
where:
Base-Base interactions energy: -25.536
where: short stacking energy: -10.309
Base-Backbone interact. energy: -0.078
local terms energy: -34.402109
where:
bonds (distance) C4'-P energy: -11.383
bonds (distance) P-C4' energy: -13.773
flat angles C4'-P-C4' energy: -9.713
flat angles P-C4'-P energy: -4.055
tors. eta vs tors. theta energy: 4.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -175.263918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.263918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.263918 (E_RNA)
where:
Base-Base interactions energy: -113.057
where: short stacking energy: -46.724
Base-Backbone interact. energy: -0.001
local terms energy: -62.205878
where:
bonds (distance) C4'-P energy: -11.243
bonds (distance) P-C4' energy: -11.690
flat angles C4'-P-C4' energy: -12.055
flat angles P-C4'-P energy: -10.173
tors. eta vs tors. theta energy: -17.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -144.060982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.060982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.060982 (E_RNA)
where:
Base-Base interactions energy: -91.088
where: short stacking energy: -33.584
Base-Backbone interact. energy: -0.098
local terms energy: -52.874458
where:
bonds (distance) C4'-P energy: -14.020
bonds (distance) P-C4' energy: -13.184
flat angles C4'-P-C4' energy: -13.791
flat angles P-C4'-P energy: -4.148
tors. eta vs tors. theta energy: -7.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -121.801079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.801079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.801079 (E_RNA)
where:
Base-Base interactions energy: -68.361
where: short stacking energy: -31.255
Base-Backbone interact. energy: -0.259
local terms energy: -53.180987
where:
bonds (distance) C4'-P energy: -10.247
bonds (distance) P-C4' energy: -11.469
flat angles C4'-P-C4' energy: -12.122
flat angles P-C4'-P energy: -10.950
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: 4, replica: 2
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -108.512176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.512176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.512176 (E_RNA)
where:
Base-Base interactions energy: -54.012
where: short stacking energy: -24.416
Base-Backbone interact. energy: -0.298
local terms energy: -54.201974
where:
bonds (distance) C4'-P energy: -10.985
bonds (distance) P-C4' energy: -13.917
flat angles C4'-P-C4' energy: -12.556
flat angles P-C4'-P energy: -8.493
tors. eta vs tors. theta energy: -8.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -105.666412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.666412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.666412 (E_RNA)
where:
Base-Base interactions energy: -59.131
where: short stacking energy: -29.278
Base-Backbone interact. energy: -0.435
local terms energy: -46.100283
where:
bonds (distance) C4'-P energy: -10.248
bonds (distance) P-C4' energy: -14.272
flat angles C4'-P-C4' energy: -11.841
flat angles P-C4'-P energy: -8.311
tors. eta vs tors. theta energy: -1.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -105.660003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.660003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.660003 (E_RNA)
where:
Base-Base interactions energy: -56.484
where: short stacking energy: -24.317
Base-Backbone interact. energy: -0.100
local terms energy: -49.075715
where:
bonds (distance) C4'-P energy: -13.132
bonds (distance) P-C4' energy: -11.426
flat angles C4'-P-C4' energy: -9.517
flat angles P-C4'-P energy: -6.445
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: 7, replica: 8
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -62.703797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.703797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.703797 (E_RNA)
where:
Base-Base interactions energy: -18.567
where: short stacking energy: -15.338
Base-Backbone interact. energy: -0.603
local terms energy: -43.533250
where:
bonds (distance) C4'-P energy: -11.610
bonds (distance) P-C4' energy: -11.448
flat angles C4'-P-C4' energy: -6.814
flat angles P-C4'-P energy: -9.377
tors. eta vs tors. theta energy: -4.284
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: 8, replica: 10
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -73.255227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.255227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.255227 (E_RNA)
where:
Base-Base interactions energy: -28.520
where: short stacking energy: -17.022
Base-Backbone interact. energy: -0.121
local terms energy: -44.614892
where:
bonds (distance) C4'-P energy: -11.723
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -8.666
flat angles P-C4'-P energy: -5.452
tors. eta vs tors. theta energy: -5.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -62.432450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.432450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.432450 (E_RNA)
where:
Base-Base interactions energy: -24.224
where: short stacking energy: -13.477
Base-Backbone interact. energy: 1.373
local terms energy: -39.581830
where:
bonds (distance) C4'-P energy: -8.609
bonds (distance) P-C4' energy: -12.395
flat angles C4'-P-C4' energy: -13.736
flat angles P-C4'-P energy: -4.823
tors. eta vs tors. theta energy: -0.019
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: 9
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -62.347667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.347667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.347667 (E_RNA)
where:
Base-Base interactions energy: -23.547
where: short stacking energy: -12.745
Base-Backbone interact. energy: 0.244
local terms energy: -39.044621
where:
bonds (distance) C4'-P energy: -12.141
bonds (distance) P-C4' energy: -11.821
flat angles C4'-P-C4' energy: -10.447
flat angles P-C4'-P energy: -9.685
tors. eta vs tors. theta energy: 5.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -178.213193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.213193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.213193 (E_RNA)
where:
Base-Base interactions energy: -115.179
where: short stacking energy: -42.618
Base-Backbone interact. energy: 0.052
local terms energy: -63.086323
where:
bonds (distance) C4'-P energy: -14.092
bonds (distance) P-C4' energy: -11.582
flat angles C4'-P-C4' energy: -11.890
flat angles P-C4'-P energy: -9.186
tors. eta vs tors. theta energy: -16.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -141.140189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.140189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.140189 (E_RNA)
where:
Base-Base interactions energy: -79.900
where: short stacking energy: -33.158
Base-Backbone interact. energy: -0.080
local terms energy: -61.159860
where:
bonds (distance) C4'-P energy: -13.466
bonds (distance) P-C4' energy: -11.774
flat angles C4'-P-C4' energy: -13.031
flat angles P-C4'-P energy: -10.732
tors. eta vs tors. theta energy: -12.157
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: 9
Temperature: 1.000000
Total energy: -119.610395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.610395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.610395 (E_RNA)
where:
Base-Base interactions energy: -70.795
where: short stacking energy: -33.463
Base-Backbone interact. energy: -0.126
local terms energy: -48.689163
where:
bonds (distance) C4'-P energy: -11.288
bonds (distance) P-C4' energy: -11.842
flat angles C4'-P-C4' energy: -8.552
flat angles P-C4'-P energy: -8.111
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: 4, replica: 5
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -132.561656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.561656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.561656 (E_RNA)
where:
Base-Base interactions energy: -79.048
where: short stacking energy: -18.786
Base-Backbone interact. energy: -1.156
local terms energy: -52.358272
where:
bonds (distance) C4'-P energy: -12.767
bonds (distance) P-C4' energy: -13.920
flat angles C4'-P-C4' energy: -12.374
flat angles P-C4'-P energy: -10.275
tors. eta vs tors. theta energy: -3.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -100.408762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.408762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.408762 (E_RNA)
where:
Base-Base interactions energy: -50.814
where: short stacking energy: -25.999
Base-Backbone interact. energy: -0.485
local terms energy: -49.110307
where:
bonds (distance) C4'-P energy: -13.797
bonds (distance) P-C4' energy: -14.035
flat angles C4'-P-C4' energy: -10.838
flat angles P-C4'-P energy: -4.837
tors. eta vs tors. theta energy: -5.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -121.950619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.950619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.950619 (E_RNA)
where:
Base-Base interactions energy: -72.410
where: short stacking energy: -34.659
Base-Backbone interact. energy: 1.506
local terms energy: -51.046489
where:
bonds (distance) C4'-P energy: -10.174
bonds (distance) P-C4' energy: -13.603
flat angles C4'-P-C4' energy: -14.138
flat angles P-C4'-P energy: -2.204
tors. eta vs tors. theta energy: -10.927
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: 8
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -63.799120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.799120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.799120 (E_RNA)
where:
Base-Base interactions energy: -20.818
where: short stacking energy: -17.545
Base-Backbone interact. energy: -0.092
local terms energy: -42.889004
where:
bonds (distance) C4'-P energy: -12.998
bonds (distance) P-C4' energy: -12.785
flat angles C4'-P-C4' energy: -9.014
flat angles P-C4'-P energy: -7.778
tors. eta vs tors. theta energy: -0.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -66.971258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.971258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.971258 (E_RNA)
where:
Base-Base interactions energy: -22.886
where: short stacking energy: -14.435
Base-Backbone interact. energy: -0.555
local terms energy: -43.529925
where:
bonds (distance) C4'-P energy: -11.554
bonds (distance) P-C4' energy: -13.395
flat angles C4'-P-C4' energy: -13.060
flat angles P-C4'-P energy: -6.412
tors. eta vs tors. theta energy: 0.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -66.735787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.735787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.735787 (E_RNA)
where:
Base-Base interactions energy: -26.231
where: short stacking energy: -20.546
Base-Backbone interact. energy: -0.050
local terms energy: -40.455298
where:
bonds (distance) C4'-P energy: -9.020
bonds (distance) P-C4' energy: -11.419
flat angles C4'-P-C4' energy: -8.121
flat angles P-C4'-P energy: -7.570
tors. eta vs tors. theta energy: -4.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -67.225707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.225707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.225707 (E_RNA)
where:
Base-Base interactions energy: -29.272
where: short stacking energy: -15.995
Base-Backbone interact. energy: -0.323
local terms energy: -37.630461
where:
bonds (distance) C4'-P energy: -10.266
bonds (distance) P-C4' energy: -14.650
flat angles C4'-P-C4' energy: -6.299
flat angles P-C4'-P energy: -5.009
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: 1, replica: 1
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -179.946058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.946058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.946058 (E_RNA)
where:
Base-Base interactions energy: -115.690
where: short stacking energy: -45.212
Base-Backbone interact. energy: -0.039
local terms energy: -64.216810
where:
bonds (distance) C4'-P energy: -13.458
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -12.363
flat angles P-C4'-P energy: -6.125
tors. eta vs tors. theta energy: -17.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -175.757298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.757298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.757298 (E_RNA)
where:
Base-Base interactions energy: -112.386
where: short stacking energy: -47.367
Base-Backbone interact. energy: -0.023
local terms energy: -63.348303
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -12.975
flat angles C4'-P-C4' energy: -13.628
flat angles P-C4'-P energy: -7.825
tors. eta vs tors. theta energy: -15.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -135.774091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.774091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.774091 (E_RNA)
where:
Base-Base interactions energy: -76.698
where: short stacking energy: -34.941
Base-Backbone interact. energy: -0.089
local terms energy: -58.987371
where:
bonds (distance) C4'-P energy: -13.140
bonds (distance) P-C4' energy: -13.905
flat angles C4'-P-C4' energy: -12.839
flat angles P-C4'-P energy: -7.051
tors. eta vs tors. theta energy: -12.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -145.934570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.934570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.934570 (E_RNA)
where:
Base-Base interactions energy: -92.723
where: short stacking energy: -33.852
Base-Backbone interact. energy: -0.356
local terms energy: -52.856199
where:
bonds (distance) C4'-P energy: -9.210
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -12.793
flat angles P-C4'-P energy: -6.412
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: 5, replica: 7
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -130.190212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.190212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.190212 (E_RNA)
where:
Base-Base interactions energy: -90.733
where: short stacking energy: -30.154
Base-Backbone interact. energy: 0.938
local terms energy: -40.395573
where:
bonds (distance) C4'-P energy: -10.941
bonds (distance) P-C4' energy: -8.658
flat angles C4'-P-C4' energy: -8.604
flat angles P-C4'-P energy: -7.541
tors. eta vs tors. theta energy: -4.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -93.777082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.777082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.777082 (E_RNA)
where:
Base-Base interactions energy: -50.236
where: short stacking energy: -14.316
Base-Backbone interact. energy: -0.036
local terms energy: -43.505593
where:
bonds (distance) C4'-P energy: -12.153
bonds (distance) P-C4' energy: -8.964
flat angles C4'-P-C4' energy: -9.468
flat angles P-C4'-P energy: -9.489
tors. eta vs tors. theta energy: -3.432
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: 7, replica: 6
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -73.887140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.887140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.887140 (E_RNA)
where:
Base-Base interactions energy: -25.054
where: short stacking energy: -20.123
Base-Backbone interact. energy: 0.050
local terms energy: -48.882832
where:
bonds (distance) C4'-P energy: -12.804
bonds (distance) P-C4' energy: -12.501
flat angles C4'-P-C4' energy: -8.875
flat angles P-C4'-P energy: -9.355
tors. eta vs tors. theta energy: -5.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -70.202138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.202138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.202138 (E_RNA)
where:
Base-Base interactions energy: -25.859
where: short stacking energy: -12.677
Base-Backbone interact. energy: -0.010
local terms energy: -44.333867
where:
bonds (distance) C4'-P energy: -12.999
bonds (distance) P-C4' energy: -7.876
flat angles C4'-P-C4' energy: -10.948
flat angles P-C4'-P energy: -5.932
tors. eta vs tors. theta energy: -6.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -63.855187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.855187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.855187 (E_RNA)
where:
Base-Base interactions energy: -26.401
where: short stacking energy: -17.806
Base-Backbone interact. energy: -0.188
local terms energy: -37.265414
where:
bonds (distance) C4'-P energy: -12.411
bonds (distance) P-C4' energy: -10.281
flat angles C4'-P-C4' energy: -8.408
flat angles P-C4'-P energy: -8.354
tors. eta vs tors. theta energy: 2.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -64.391012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.391012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.391012 (E_RNA)
where:
Base-Base interactions energy: -31.928
where: short stacking energy: -6.220
Base-Backbone interact. energy: -0.386
local terms energy: -32.076992
where:
bonds (distance) C4'-P energy: -10.957
bonds (distance) P-C4' energy: -12.782
flat angles C4'-P-C4' energy: -5.603
flat angles P-C4'-P energy: -6.088
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: 1, replica: 1
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -180.836247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.836247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.836247 (E_RNA)
where:
Base-Base interactions energy: -117.119
where: short stacking energy: -46.381
Base-Backbone interact. energy: -0.036
local terms energy: -63.680648
where:
bonds (distance) C4'-P energy: -13.246
bonds (distance) P-C4' energy: -10.728
flat angles C4'-P-C4' energy: -14.638
flat angles P-C4'-P energy: -9.298
tors. eta vs tors. theta energy: -15.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -178.167608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.167608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.167608 (E_RNA)
where:
Base-Base interactions energy: -115.049
where: short stacking energy: -49.518
Base-Backbone interact. energy: -0.002
local terms energy: -63.116018
where:
bonds (distance) C4'-P energy: -10.828
bonds (distance) P-C4' energy: -13.681
flat angles C4'-P-C4' energy: -11.380
flat angles P-C4'-P energy: -9.291
tors. eta vs tors. theta energy: -17.935
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: 4
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -130.968599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.968599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.968599 (E_RNA)
where:
Base-Base interactions energy: -77.393
where: short stacking energy: -39.254
Base-Backbone interact. energy: -0.052
local terms energy: -53.523716
where:
bonds (distance) C4'-P energy: -9.848
bonds (distance) P-C4' energy: -12.401
flat angles C4'-P-C4' energy: -13.471
flat angles P-C4'-P energy: -5.964
tors. eta vs tors. theta energy: -11.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -159.737989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.737989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.737989 (E_RNA)
where:
Base-Base interactions energy: -117.484
where: short stacking energy: -31.423
Base-Backbone interact. energy: -0.482
local terms energy: -41.772181
where:
bonds (distance) C4'-P energy: -5.375
bonds (distance) P-C4' energy: -14.205
flat angles C4'-P-C4' energy: -12.079
flat angles P-C4'-P energy: -6.398
tors. eta vs tors. theta energy: -3.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -155.968079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.968079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.968079 (E_RNA)
where:
Base-Base interactions energy: -102.428
where: short stacking energy: -32.235
Base-Backbone interact. energy: -0.370
local terms energy: -53.169627
where:
bonds (distance) C4'-P energy: -12.903
bonds (distance) P-C4' energy: -9.992
flat angles C4'-P-C4' energy: -13.322
flat angles P-C4'-P energy: -6.559
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: 6, replica: 6
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -78.894284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.894284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.894284 (E_RNA)
where:
Base-Base interactions energy: -38.124
where: short stacking energy: -16.387
Base-Backbone interact. energy: -1.086
local terms energy: -39.684266
where:
bonds (distance) C4'-P energy: -11.760
bonds (distance) P-C4' energy: -13.451
flat angles C4'-P-C4' energy: -10.106
flat angles P-C4'-P energy: -2.201
tors. eta vs tors. theta energy: -2.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -72.394131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.394131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.394131 (E_RNA)
where:
Base-Base interactions energy: -33.622
where: short stacking energy: -13.979
Base-Backbone interact. energy: -0.362
local terms energy: -38.410286
where:
bonds (distance) C4'-P energy: -12.340
bonds (distance) P-C4' energy: -12.026
flat angles C4'-P-C4' energy: -10.267
flat angles P-C4'-P energy: -4.535
tors. eta vs tors. theta energy: 0.757
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: 11
Temperature: 1.250000
Total energy: -64.361472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.361472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.361472 (E_RNA)
where:
Base-Base interactions energy: -38.113
where: short stacking energy: -15.824
Base-Backbone interact. energy: -0.288
local terms energy: -25.960060
where:
bonds (distance) C4'-P energy: -8.676
bonds (distance) P-C4' energy: -8.108
flat angles C4'-P-C4' energy: -5.089
flat angles P-C4'-P energy: -3.701
tors. eta vs tors. theta energy: -0.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -65.216384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.216384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.216384 (E_RNA)
where:
Base-Base interactions energy: -17.601
where: short stacking energy: -16.489
Base-Backbone interact. energy: -1.146
local terms energy: -46.468781
where:
bonds (distance) C4'-P energy: -11.422
bonds (distance) P-C4' energy: -10.812
flat angles C4'-P-C4' energy: -10.311
flat angles P-C4'-P energy: -9.661
tors. eta vs tors. theta energy: -4.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -52.774916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.774916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.774916 (E_RNA)
where:
Base-Base interactions energy: -21.857
where: short stacking energy: -10.952
Base-Backbone interact. energy: -0.122
local terms energy: -30.795292
where:
bonds (distance) C4'-P energy: -8.527
bonds (distance) P-C4' energy: -10.412
flat angles C4'-P-C4' energy: -5.296
flat angles P-C4'-P energy: -9.183
tors. eta vs tors. theta energy: 2.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -180.575628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.575628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.575628 (E_RNA)
where:
Base-Base interactions energy: -118.688
where: short stacking energy: -47.184
Base-Backbone interact. energy: -0.875
local terms energy: -61.012394
where:
bonds (distance) C4'-P energy: -8.133
bonds (distance) P-C4' energy: -12.238
flat angles C4'-P-C4' energy: -14.204
flat angles P-C4'-P energy: -9.360
tors. eta vs tors. theta energy: -17.078
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: 3
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -176.185361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.185361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.185361 (E_RNA)
where:
Base-Base interactions energy: -110.903
where: short stacking energy: -42.869
Base-Backbone interact. energy: -0.003
local terms energy: -65.279563
where:
bonds (distance) C4'-P energy: -11.736
bonds (distance) P-C4' energy: -12.515
flat angles C4'-P-C4' energy: -12.407
flat angles P-C4'-P energy: -9.970
tors. eta vs tors. theta energy: -18.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -159.837324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.837324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.837324 (E_RNA)
where:
Base-Base interactions energy: -112.612
where: short stacking energy: -28.029
Base-Backbone interact. energy: -0.456
local terms energy: -46.769273
where:
bonds (distance) C4'-P energy: -10.698
bonds (distance) P-C4' energy: -10.583
flat angles C4'-P-C4' energy: -9.789
flat angles P-C4'-P energy: -8.195
tors. eta vs tors. theta energy: -7.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -126.742464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.742464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.742464 (E_RNA)
where:
Base-Base interactions energy: -72.192
where: short stacking energy: -40.360
Base-Backbone interact. energy: -0.005
local terms energy: -54.545807
where:
bonds (distance) C4'-P energy: -11.242
bonds (distance) P-C4' energy: -10.811
flat angles C4'-P-C4' energy: -8.476
flat angles P-C4'-P energy: -9.017
tors. eta vs tors. theta energy: -14.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -154.255670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.255670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.255670 (E_RNA)
where:
Base-Base interactions energy: -107.562
where: short stacking energy: -27.453
Base-Backbone interact. energy: -0.255
local terms energy: -46.438269
where:
bonds (distance) C4'-P energy: -12.804
bonds (distance) P-C4' energy: -12.137
flat angles C4'-P-C4' energy: -6.284
flat angles P-C4'-P energy: -7.719
tors. eta vs tors. theta energy: -7.495
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: 6, replica: 6
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -80.955917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.955917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.955917 (E_RNA)
where:
Base-Base interactions energy: -41.464
where: short stacking energy: -14.854
Base-Backbone interact. energy: -0.045
local terms energy: -39.447485
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -13.984
flat angles C4'-P-C4' energy: -12.380
flat angles P-C4'-P energy: -0.942
tors. eta vs tors. theta energy: 2.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -67.845503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.845503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.845503 (E_RNA)
where:
Base-Base interactions energy: -24.958
where: short stacking energy: -8.150
Base-Backbone interact. energy: -0.910
local terms energy: -41.977715
where:
bonds (distance) C4'-P energy: -13.682
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -5.213
flat angles P-C4'-P energy: -8.565
tors. eta vs tors. theta energy: -0.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -61.851998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.851998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.851998 (E_RNA)
where:
Base-Base interactions energy: -33.105
where: short stacking energy: -9.623
Base-Backbone interact. energy: -0.326
local terms energy: -28.420588
where:
bonds (distance) C4'-P energy: -11.682
bonds (distance) P-C4' energy: -9.079
flat angles C4'-P-C4' energy: -4.954
flat angles P-C4'-P energy: -7.679
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: 10
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -53.219195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.219195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.219195 (E_RNA)
where:
Base-Base interactions energy: -17.691
where: short stacking energy: -9.338
Base-Backbone interact. energy: -0.168
local terms energy: -35.359413
where:
bonds (distance) C4'-P energy: -13.772
bonds (distance) P-C4' energy: -7.891
flat angles C4'-P-C4' energy: -8.666
flat angles P-C4'-P energy: -5.965
tors. eta vs tors. theta energy: 0.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -60.420614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.420614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.420614 (E_RNA)
where:
Base-Base interactions energy: -16.488
where: short stacking energy: -16.488
Base-Backbone interact. energy: -0.186
local terms energy: -43.746465
where:
bonds (distance) C4'-P energy: -10.071
bonds (distance) P-C4' energy: -9.412
flat angles C4'-P-C4' energy: -10.976
flat angles P-C4'-P energy: -7.980
tors. eta vs tors. theta energy: -5.307
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: 1
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -169.042122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.042122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.042122 (E_RNA)
where:
Base-Base interactions energy: -108.088
where: short stacking energy: -43.373
Base-Backbone interact. energy: -0.065
local terms energy: -60.889251
where:
bonds (distance) C4'-P energy: -12.051
bonds (distance) P-C4' energy: -11.972
flat angles C4'-P-C4' energy: -14.113
flat angles P-C4'-P energy: -8.751
tors. eta vs tors. theta energy: -14.002
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: 3
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -175.445974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.445974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.445974 (E_RNA)
where:
Base-Base interactions energy: -115.461
where: short stacking energy: -42.107
Base-Backbone interact. energy: -0.033
local terms energy: -59.952399
where:
bonds (distance) C4'-P energy: -12.600
bonds (distance) P-C4' energy: -13.582
flat angles C4'-P-C4' energy: -13.530
flat angles P-C4'-P energy: -6.655
tors. eta vs tors. theta energy: -13.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -151.147681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.147681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.147681 (E_RNA)
where:
Base-Base interactions energy: -105.238
where: short stacking energy: -23.965
Base-Backbone interact. energy: -0.323
local terms energy: -45.586032
where:
bonds (distance) C4'-P energy: -11.081
bonds (distance) P-C4' energy: -11.390
flat angles C4'-P-C4' energy: -9.763
flat angles P-C4'-P energy: -4.820
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: 4, replica: 7
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -179.968339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.968339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.968339 (E_RNA)
where:
Base-Base interactions energy: -115.323
where: short stacking energy: -43.439
Base-Backbone interact. energy: -0.977
local terms energy: -63.668035
where:
bonds (distance) C4'-P energy: -14.278
bonds (distance) P-C4' energy: -8.618
flat angles C4'-P-C4' energy: -12.723
flat angles P-C4'-P energy: -11.180
tors. eta vs tors. theta energy: -16.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -126.166284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.166284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.166284 (E_RNA)
where:
Base-Base interactions energy: -75.090
where: short stacking energy: -34.962
Base-Backbone interact. energy: -0.005
local terms energy: -51.071646
where:
bonds (distance) C4'-P energy: -10.204
bonds (distance) P-C4' energy: -11.079
flat angles C4'-P-C4' energy: -9.496
flat angles P-C4'-P energy: -8.858
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: 6, replica: 6
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -80.203924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.203924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.203924 (E_RNA)
where:
Base-Base interactions energy: -38.888
where: short stacking energy: -12.874
Base-Backbone interact. energy: 0.727
local terms energy: -42.043153
where:
bonds (distance) C4'-P energy: -10.601
bonds (distance) P-C4' energy: -13.076
flat angles C4'-P-C4' energy: -10.739
flat angles P-C4'-P energy: -5.913
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: 7, replica: 9
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -62.358743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.358743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.358743 (E_RNA)
where:
Base-Base interactions energy: -17.100
where: short stacking energy: -16.716
Base-Backbone interact. energy: -0.209
local terms energy: -45.050104
where:
bonds (distance) C4'-P energy: -11.421
bonds (distance) P-C4' energy: -12.997
flat angles C4'-P-C4' energy: -6.506
flat angles P-C4'-P energy: -9.961
tors. eta vs tors. theta energy: -4.165
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: 10
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -65.329318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.329318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.329318 (E_RNA)
where:
Base-Base interactions energy: -19.067
where: short stacking energy: -19.067
Base-Backbone interact. energy: -0.011
local terms energy: -46.251101
where:
bonds (distance) C4'-P energy: -10.931
bonds (distance) P-C4' energy: -9.893
flat angles C4'-P-C4' energy: -11.281
flat angles P-C4'-P energy: -10.730
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: 9, replica: 2
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -61.220502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.220502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.220502 (E_RNA)
where:
Base-Base interactions energy: -17.676
where: short stacking energy: -14.803
Base-Backbone interact. energy: -0.204
local terms energy: -43.340600
where:
bonds (distance) C4'-P energy: -12.439
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -7.329
flat angles P-C4'-P energy: -8.740
tors. eta vs tors. theta energy: -1.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -60.193613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.193613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.193613 (E_RNA)
where:
Base-Base interactions energy: -19.952
where: short stacking energy: -19.292
Base-Backbone interact. energy: -0.056
local terms energy: -40.185625
where:
bonds (distance) C4'-P energy: -13.879
bonds (distance) P-C4' energy: -12.074
flat angles C4'-P-C4' energy: -7.471
flat angles P-C4'-P energy: -6.607
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: 3
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -184.795678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.795678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.795678 (E_RNA)
where:
Base-Base interactions energy: -117.330
where: short stacking energy: -47.558
Base-Backbone interact. energy: -0.043
local terms energy: -67.422467
where:
bonds (distance) C4'-P energy: -12.910
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -12.147
flat angles P-C4'-P energy: -10.793
tors. eta vs tors. theta energy: -18.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -174.156794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.156794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.156794 (E_RNA)
where:
Base-Base interactions energy: -118.848
where: short stacking energy: -51.157
Base-Backbone interact. energy: -0.003
local terms energy: -55.304961
where:
bonds (distance) C4'-P energy: -11.309
bonds (distance) P-C4' energy: -7.849
flat angles C4'-P-C4' energy: -13.538
flat angles P-C4'-P energy: -6.317
tors. eta vs tors. theta energy: -16.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -176.986917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.986917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.986917 (E_RNA)
where:
Base-Base interactions energy: -111.811
where: short stacking energy: -47.507
Base-Backbone interact. energy: -0.261
local terms energy: -64.915281
where:
bonds (distance) C4'-P energy: -11.979
bonds (distance) P-C4' energy: -12.414
flat angles C4'-P-C4' energy: -14.694
flat angles P-C4'-P energy: -8.649
tors. eta vs tors. theta energy: -17.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -156.422388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.422388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.422388 (E_RNA)
where:
Base-Base interactions energy: -109.439
where: short stacking energy: -16.105
Base-Backbone interact. energy: -0.253
local terms energy: -46.730438
where:
bonds (distance) C4'-P energy: -7.905
bonds (distance) P-C4' energy: -13.690
flat angles C4'-P-C4' energy: -9.822
flat angles P-C4'-P energy: -7.496
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: 5, replica: 4
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -127.389560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.389560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.389560 (E_RNA)
where:
Base-Base interactions energy: -68.298
where: short stacking energy: -32.288
Base-Backbone interact. energy: -0.024
local terms energy: -59.066802
where:
bonds (distance) C4'-P energy: -12.685
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -12.606
flat angles P-C4'-P energy: -8.794
tors. eta vs tors. theta energy: -10.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -72.681202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.681202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.681202 (E_RNA)
where:
Base-Base interactions energy: -27.674
where: short stacking energy: -23.862
Base-Backbone interact. energy: -0.073
local terms energy: -44.934614
where:
bonds (distance) C4'-P energy: -8.080
bonds (distance) P-C4' energy: -12.698
flat angles C4'-P-C4' energy: -12.820
flat angles P-C4'-P energy: -5.988
tors. eta vs tors. theta energy: -5.349
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: 10
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -68.736134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.736134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.736134 (E_RNA)
where:
Base-Base interactions energy: -28.563
where: short stacking energy: -17.173
Base-Backbone interact. energy: 0.809
local terms energy: -40.982438
where:
bonds (distance) C4'-P energy: -12.415
bonds (distance) P-C4' energy: -10.420
flat angles C4'-P-C4' energy: -8.909
flat angles P-C4'-P energy: -7.041
tors. eta vs tors. theta energy: -2.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -67.568690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.568690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.568690 (E_RNA)
where:
Base-Base interactions energy: -29.226
where: short stacking energy: -15.775
Base-Backbone interact. energy: -0.137
local terms energy: -38.205409
where:
bonds (distance) C4'-P energy: -7.104
bonds (distance) P-C4' energy: -11.705
flat angles C4'-P-C4' energy: -12.477
flat angles P-C4'-P energy: -5.591
tors. eta vs tors. theta energy: -1.329
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: 14
Temperature: 1.300000
Total energy: -60.267016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.267016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.267016 (E_RNA)
where:
Base-Base interactions energy: -19.626
where: short stacking energy: -14.333
Base-Backbone interact. energy: -2.284
local terms energy: -38.356388
where:
bonds (distance) C4'-P energy: -8.995
bonds (distance) P-C4' energy: -11.055
flat angles C4'-P-C4' energy: -8.519
flat angles P-C4'-P energy: -5.953
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: 2
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -62.708587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.708587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.708587 (E_RNA)
where:
Base-Base interactions energy: -25.969
where: short stacking energy: -9.939
Base-Backbone interact. energy: -1.456
local terms energy: -35.283516
where:
bonds (distance) C4'-P energy: -10.610
bonds (distance) P-C4' energy: -10.609
flat angles C4'-P-C4' energy: -8.032
flat angles P-C4'-P energy: -5.381
tors. eta vs tors. theta energy: -0.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -183.852319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.852319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.852319 (E_RNA)
where:
Base-Base interactions energy: -119.573
where: short stacking energy: -48.559
Base-Backbone interact. energy: -0.030
local terms energy: -64.249247
where:
bonds (distance) C4'-P energy: -13.035
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -12.625
flat angles P-C4'-P energy: -7.917
tors. eta vs tors. theta energy: -16.435
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: 2, replica: 7
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -183.219586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.219586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.219586 (E_RNA)
where:
Base-Base interactions energy: -120.314
where: short stacking energy: -48.489
Base-Backbone interact. energy: -0.003
local terms energy: -62.902983
where:
bonds (distance) C4'-P energy: -12.157
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -11.793
flat angles P-C4'-P energy: -7.348
tors. eta vs tors. theta energy: -18.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -171.251729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.251729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.251729 (E_RNA)
where:
Base-Base interactions energy: -118.145
where: short stacking energy: -47.268
Base-Backbone interact. energy: -0.003
local terms energy: -53.103959
where:
bonds (distance) C4'-P energy: -9.661
bonds (distance) P-C4' energy: -11.021
flat angles C4'-P-C4' energy: -10.777
flat angles P-C4'-P energy: -7.203
tors. eta vs tors. theta energy: -14.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -157.060136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.060136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.060136 (E_RNA)
where:
Base-Base interactions energy: -108.015
where: short stacking energy: -17.235
Base-Backbone interact. energy: -0.325
local terms energy: -48.719777
where:
bonds (distance) C4'-P energy: -13.694
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -6.781
flat angles P-C4'-P energy: -9.658
tors. eta vs tors. theta energy: -4.829
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: 15
Temperature: 1.100000
Total energy: -107.754876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.754876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.754876 (E_RNA)
where:
Base-Base interactions energy: -58.246
where: short stacking energy: -29.226
Base-Backbone interact. energy: 0.935
local terms energy: -50.443217
where:
bonds (distance) C4'-P energy: -9.065
bonds (distance) P-C4' energy: -13.697
flat angles C4'-P-C4' energy: -12.907
flat angles P-C4'-P energy: -5.758
tors. eta vs tors. theta energy: -9.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -85.983170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.983170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.983170 (E_RNA)
where:
Base-Base interactions energy: -40.362
where: short stacking energy: -18.668
Base-Backbone interact. energy: -0.216
local terms energy: -45.404464
where:
bonds (distance) C4'-P energy: -11.826
bonds (distance) P-C4' energy: -12.426
flat angles C4'-P-C4' energy: -11.186
flat angles P-C4'-P energy: -6.373
tors. eta vs tors. theta energy: -3.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -61.979957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.979957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.979957 (E_RNA)
where:
Base-Base interactions energy: -21.218
where: short stacking energy: -21.218
Base-Backbone interact. energy: -0.369
local terms energy: -40.393481
where:
bonds (distance) C4'-P energy: -10.013
bonds (distance) P-C4' energy: -9.816
flat angles C4'-P-C4' energy: -14.400
flat angles P-C4'-P energy: -2.462
tors. eta vs tors. theta energy: -3.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -67.836317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.836317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.836317 (E_RNA)
where:
Base-Base interactions energy: -28.222
where: short stacking energy: -16.433
Base-Backbone interact. energy: -0.181
local terms energy: -39.433254
where:
bonds (distance) C4'-P energy: -10.719
bonds (distance) P-C4' energy: -12.237
flat angles C4'-P-C4' energy: -13.874
flat angles P-C4'-P energy: -2.986
tors. eta vs tors. theta energy: 0.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -77.006846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.006846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.006846 (E_RNA)
where:
Base-Base interactions energy: -38.601
where: short stacking energy: -11.279
Base-Backbone interact. energy: -0.154
local terms energy: -38.251964
where:
bonds (distance) C4'-P energy: -10.176
bonds (distance) P-C4' energy: -13.131
flat angles C4'-P-C4' energy: -13.398
flat angles P-C4'-P energy: -6.158
tors. eta vs tors. theta energy: 4.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -59.235771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.235771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.235771 (E_RNA)
where:
Base-Base interactions energy: -17.705
where: short stacking energy: -16.696
Base-Backbone interact. energy: -0.327
local terms energy: -41.203794
where:
bonds (distance) C4'-P energy: -13.752
bonds (distance) P-C4' energy: -13.727
flat angles C4'-P-C4' energy: -7.861
flat angles P-C4'-P energy: -8.391
tors. eta vs tors. theta energy: 2.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -179.236118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.236118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.236118 (E_RNA)
where:
Base-Base interactions energy: -116.731
where: short stacking energy: -45.227
Base-Backbone interact. energy: -0.054
local terms energy: -62.450669
where:
bonds (distance) C4'-P energy: -11.658
bonds (distance) P-C4' energy: -13.321
flat angles C4'-P-C4' energy: -13.866
flat angles P-C4'-P energy: -8.761
tors. eta vs tors. theta energy: -14.845
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: 7
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -177.430955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.430955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.430955 (E_RNA)
where:
Base-Base interactions energy: -114.612
where: short stacking energy: -46.971
Base-Backbone interact. energy: -0.298
local terms energy: -62.520763
where:
bonds (distance) C4'-P energy: -9.074
bonds (distance) P-C4' energy: -13.025
flat angles C4'-P-C4' energy: -14.507
flat angles P-C4'-P energy: -9.501
tors. eta vs tors. theta energy: -16.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -177.478542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.478542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.478542 (E_RNA)
where:
Base-Base interactions energy: -110.024
where: short stacking energy: -44.336
Base-Backbone interact. energy: -0.543
local terms energy: -66.912089
where:
bonds (distance) C4'-P energy: -13.007
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -11.591
flat angles P-C4'-P energy: -9.023
tors. eta vs tors. theta energy: -18.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -150.601660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.601660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.601660 (E_RNA)
where:
Base-Base interactions energy: -109.170
where: short stacking energy: -16.751
Base-Backbone interact. energy: -0.306
local terms energy: -41.126439
where:
bonds (distance) C4'-P energy: -11.285
bonds (distance) P-C4' energy: -8.116
flat angles C4'-P-C4' energy: -12.154
flat angles P-C4'-P energy: -5.677
tors. eta vs tors. theta energy: -3.894
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: 5, replica: 10
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -93.468901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.468901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.468901 (E_RNA)
where:
Base-Base interactions energy: -50.131
where: short stacking energy: -23.433
Base-Backbone interact. energy: -0.118
local terms energy: -43.219690
where:
bonds (distance) C4'-P energy: -9.120
bonds (distance) P-C4' energy: -12.554
flat angles C4'-P-C4' energy: -10.382
flat angles P-C4'-P energy: -7.120
tors. eta vs tors. theta energy: -4.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -85.239357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.239357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.239357 (E_RNA)
where:
Base-Base interactions energy: -43.757
where: short stacking energy: -20.945
Base-Backbone interact. energy: -0.284
local terms energy: -41.198442
where:
bonds (distance) C4'-P energy: -8.586
bonds (distance) P-C4' energy: -10.515
flat angles C4'-P-C4' energy: -10.284
flat angles P-C4'-P energy: -6.568
tors. eta vs tors. theta energy: -5.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -95.660105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.660105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.660105 (E_RNA)
where:
Base-Base interactions energy: -53.498
where: short stacking energy: -23.942
Base-Backbone interact. energy: -0.050
local terms energy: -42.111562
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -8.211
flat angles C4'-P-C4' energy: -10.203
flat angles P-C4'-P energy: -5.295
tors. eta vs tors. theta energy: -4.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -62.369638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.369638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.369638 (E_RNA)
where:
Base-Base interactions energy: -20.774
where: short stacking energy: -18.171
Base-Backbone interact. energy: 0.070
local terms energy: -41.666073
where:
bonds (distance) C4'-P energy: -12.840
bonds (distance) P-C4' energy: -6.849
flat angles C4'-P-C4' energy: -12.781
flat angles P-C4'-P energy: -6.026
tors. eta vs tors. theta energy: -3.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -68.340288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.340288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.340288 (E_RNA)
where:
Base-Base interactions energy: -33.738
where: short stacking energy: -9.865
Base-Backbone interact. energy: -0.074
local terms energy: -34.527986
where:
bonds (distance) C4'-P energy: -12.096
bonds (distance) P-C4' energy: -12.546
flat angles C4'-P-C4' energy: -8.389
flat angles P-C4'-P energy: -6.414
tors. eta vs tors. theta energy: 4.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -64.384861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.384861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.384861 (E_RNA)
where:
Base-Base interactions energy: -28.166
where: short stacking energy: -14.976
Base-Backbone interact. energy: -0.222
local terms energy: -35.997101
where:
bonds (distance) C4'-P energy: -10.459
bonds (distance) P-C4' energy: -11.531
flat angles C4'-P-C4' energy: -12.574
flat angles P-C4'-P energy: -6.178
tors. eta vs tors. theta energy: 4.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -177.822434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.822434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.822434 (E_RNA)
where:
Base-Base interactions energy: -113.923
where: short stacking energy: -43.662
Base-Backbone interact. energy: -0.029
local terms energy: -63.870535
where:
bonds (distance) C4'-P energy: -12.085
bonds (distance) P-C4' energy: -12.864
flat angles C4'-P-C4' energy: -11.105
flat angles P-C4'-P energy: -10.459
tors. eta vs tors. theta energy: -17.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -172.476499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.476499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.476499 (E_RNA)
where:
Base-Base interactions energy: -113.107
where: short stacking energy: -43.817
Base-Backbone interact. energy: -0.027
local terms energy: -59.343073
where:
bonds (distance) C4'-P energy: -11.049
bonds (distance) P-C4' energy: -13.371
flat angles C4'-P-C4' energy: -9.609
flat angles P-C4'-P energy: -10.431
tors. eta vs tors. theta energy: -14.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -180.140577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.140577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.140577 (E_RNA)
where:
Base-Base interactions energy: -115.829
where: short stacking energy: -46.982
Base-Backbone interact. energy: -0.005
local terms energy: -64.307036
where:
bonds (distance) C4'-P energy: -10.772
bonds (distance) P-C4' energy: -15.087
flat angles C4'-P-C4' energy: -12.169
flat angles P-C4'-P energy: -10.029
tors. eta vs tors. theta energy: -16.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -140.369302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.369302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.369302 (E_RNA)
where:
Base-Base interactions energy: -91.321
where: short stacking energy: -17.777
Base-Backbone interact. energy: -0.226
local terms energy: -48.822533
where:
bonds (distance) C4'-P energy: -12.878
bonds (distance) P-C4' energy: -12.927
flat angles C4'-P-C4' energy: -12.144
flat angles P-C4'-P energy: -6.303
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: 5, replica: 10
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -119.012654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.012654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.012654 (E_RNA)
where:
Base-Base interactions energy: -67.420
where: short stacking energy: -28.688
Base-Backbone interact. energy: -0.213
local terms energy: -51.380015
where:
bonds (distance) C4'-P energy: -10.183
bonds (distance) P-C4' energy: -12.668
flat angles C4'-P-C4' energy: -13.024
flat angles P-C4'-P energy: -8.700
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: 6, replica: 8
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -74.722696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.722696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.722696 (E_RNA)
where:
Base-Base interactions energy: -36.875
where: short stacking energy: -7.689
Base-Backbone interact. energy: -0.953
local terms energy: -36.895456
where:
bonds (distance) C4'-P energy: -10.688
bonds (distance) P-C4' energy: -11.134
flat angles C4'-P-C4' energy: -11.280
flat angles P-C4'-P energy: -6.624
tors. eta vs tors. theta energy: 2.832
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: 4
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -75.802671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.802671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.802671 (E_RNA)
where:
Base-Base interactions energy: -31.054
where: short stacking energy: -19.424
Base-Backbone interact. energy: -0.221
local terms energy: -44.527604
where:
bonds (distance) C4'-P energy: -6.892
bonds (distance) P-C4' energy: -11.306
flat angles C4'-P-C4' energy: -10.262
flat angles P-C4'-P energy: -10.504
tors. eta vs tors. theta energy: -5.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -67.269166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.269166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.269166 (E_RNA)
where:
Base-Base interactions energy: -40.308
where: short stacking energy: -14.570
Base-Backbone interact. energy: -0.041
local terms energy: -26.920197
where:
bonds (distance) C4'-P energy: 1.092
bonds (distance) P-C4' energy: -11.939
flat angles C4'-P-C4' energy: -8.304
flat angles P-C4'-P energy: -10.111
tors. eta vs tors. theta energy: 2.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -62.052181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.052181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.052181 (E_RNA)
where:
Base-Base interactions energy: -23.639
where: short stacking energy: -13.458
Base-Backbone interact. energy: -0.004
local terms energy: -38.408711
where:
bonds (distance) C4'-P energy: -10.655
bonds (distance) P-C4' energy: -12.007
flat angles C4'-P-C4' energy: -10.542
flat angles P-C4'-P energy: -7.014
tors. eta vs tors. theta energy: 1.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -55.352135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.352135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.352135 (E_RNA)
where:
Base-Base interactions energy: -15.331
where: short stacking energy: -14.882
Base-Backbone interact. energy: -0.705
local terms energy: -39.315489
where:
bonds (distance) C4'-P energy: -14.671
bonds (distance) P-C4' energy: -11.471
flat angles C4'-P-C4' energy: -9.226
flat angles P-C4'-P energy: -3.665
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: 1
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -179.128187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.128187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.128187 (E_RNA)
where:
Base-Base interactions energy: -118.817
where: short stacking energy: -44.776
Base-Backbone interact. energy: 0.710
local terms energy: -61.021440
where:
bonds (distance) C4'-P energy: -8.816
bonds (distance) P-C4' energy: -12.442
flat angles C4'-P-C4' energy: -14.270
flat angles P-C4'-P energy: -8.704
tors. eta vs tors. theta energy: -16.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -175.687681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.687681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.687681 (E_RNA)
where:
Base-Base interactions energy: -115.597
where: short stacking energy: -45.100
Base-Backbone interact. energy: -0.004
local terms energy: -60.086806
where:
bonds (distance) C4'-P energy: -9.952
bonds (distance) P-C4' energy: -11.387
flat angles C4'-P-C4' energy: -12.146
flat angles P-C4'-P energy: -10.198
tors. eta vs tors. theta energy: -16.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -174.444776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.444776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.444776 (E_RNA)
where:
Base-Base interactions energy: -111.997
where: short stacking energy: -49.589
Base-Backbone interact. energy: -0.092
local terms energy: -62.355088
where:
bonds (distance) C4'-P energy: -11.683
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -11.676
flat angles P-C4'-P energy: -7.859
tors. eta vs tors. theta energy: -17.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -145.110266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.110266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.110266 (E_RNA)
where:
Base-Base interactions energy: -95.543
where: short stacking energy: -19.737
Base-Backbone interact. energy: -0.661
local terms energy: -48.906527
where:
bonds (distance) C4'-P energy: -14.046
bonds (distance) P-C4' energy: -13.970
flat angles C4'-P-C4' energy: -10.068
flat angles P-C4'-P energy: -5.786
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: 5, replica: 10
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -113.961308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.961308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.961308 (E_RNA)
where:
Base-Base interactions energy: -69.316
where: short stacking energy: -26.745
Base-Backbone interact. energy: -0.016
local terms energy: -44.629396
where:
bonds (distance) C4'-P energy: -7.116
bonds (distance) P-C4' energy: -12.594
flat angles C4'-P-C4' energy: -11.358
flat angles P-C4'-P energy: -4.166
tors. eta vs tors. theta energy: -9.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -70.964117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.964117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.964117 (E_RNA)
where:
Base-Base interactions energy: -26.396
where: short stacking energy: -19.395
Base-Backbone interact. energy: -0.110
local terms energy: -44.458961
where:
bonds (distance) C4'-P energy: -11.433
bonds (distance) P-C4' energy: -11.544
flat angles C4'-P-C4' energy: -8.718
flat angles P-C4'-P energy: -7.237
tors. eta vs tors. theta energy: -5.526
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: 2
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -78.345249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.345249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.345249 (E_RNA)
where:
Base-Base interactions energy: -39.442
where: short stacking energy: -21.349
Base-Backbone interact. energy: 0.387
local terms energy: -39.290104
where:
bonds (distance) C4'-P energy: -4.770
bonds (distance) P-C4' energy: -10.749
flat angles C4'-P-C4' energy: -8.020
flat angles P-C4'-P energy: -10.200
tors. eta vs tors. theta energy: -5.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -73.733706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.733706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.733706 (E_RNA)
where:
Base-Base interactions energy: -25.672
where: short stacking energy: -24.712
Base-Backbone interact. energy: 0.993
local terms energy: -49.055020
where:
bonds (distance) C4'-P energy: -10.186
bonds (distance) P-C4' energy: -11.216
flat angles C4'-P-C4' energy: -9.831
flat angles P-C4'-P energy: -9.530
tors. eta vs tors. theta energy: -8.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -56.483827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.483827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.483827 (E_RNA)
where:
Base-Base interactions energy: -24.255
where: short stacking energy: -15.763
Base-Backbone interact. energy: -0.117
local terms energy: -32.111753
where:
bonds (distance) C4'-P energy: -10.551
bonds (distance) P-C4' energy: -11.047
flat angles C4'-P-C4' energy: -7.769
flat angles P-C4'-P energy: -0.744
tors. eta vs tors. theta energy: -2.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -57.986919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.986919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.986919 (E_RNA)
where:
Base-Base interactions energy: -20.507
where: short stacking energy: -12.394
Base-Backbone interact. energy: -0.147
local terms energy: -37.332081
where:
bonds (distance) C4'-P energy: -12.047
bonds (distance) P-C4' energy: -7.190
flat angles C4'-P-C4' energy: -12.891
flat angles P-C4'-P energy: -6.256
tors. eta vs tors. theta energy: 1.052
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: 1, replica: 1
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -181.751054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.751054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.751054 (E_RNA)
where:
Base-Base interactions energy: -119.896
where: short stacking energy: -44.625
Base-Backbone interact. energy: -0.059
local terms energy: -61.796133
where:
bonds (distance) C4'-P energy: -13.504
bonds (distance) P-C4' energy: -12.693
flat angles C4'-P-C4' energy: -13.305
flat angles P-C4'-P energy: -5.470
tors. eta vs tors. theta energy: -16.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -167.557655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.557655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.557655 (E_RNA)
where:
Base-Base interactions energy: -105.790
where: short stacking energy: -46.668
Base-Backbone interact. energy: -0.518
local terms energy: -61.249382
where:
bonds (distance) C4'-P energy: -10.262
bonds (distance) P-C4' energy: -10.724
flat angles C4'-P-C4' energy: -12.369
flat angles P-C4'-P energy: -10.212
tors. eta vs tors. theta energy: -17.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -176.657925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.657925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.657925 (E_RNA)
where:
Base-Base interactions energy: -115.912
where: short stacking energy: -43.957
Base-Backbone interact. energy: -0.788
local terms energy: -59.957607
where:
bonds (distance) C4'-P energy: -13.326
bonds (distance) P-C4' energy: -12.507
flat angles C4'-P-C4' energy: -8.284
flat angles P-C4'-P energy: -8.124
tors. eta vs tors. theta energy: -17.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -145.914735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.914735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.914735 (E_RNA)
where:
Base-Base interactions energy: -97.104
where: short stacking energy: -28.265
Base-Backbone interact. energy: 0.048
local terms energy: -48.859412
where:
bonds (distance) C4'-P energy: -12.183
bonds (distance) P-C4' energy: -12.578
flat angles C4'-P-C4' energy: -10.792
flat angles P-C4'-P energy: -7.464
tors. eta vs tors. theta energy: -5.844
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: 5, replica: 10
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -115.838502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.838502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.838502 (E_RNA)
where:
Base-Base interactions energy: -65.276
where: short stacking energy: -22.364
Base-Backbone interact. energy: -0.065
local terms energy: -50.497401
where:
bonds (distance) C4'-P energy: -11.312
bonds (distance) P-C4' energy: -13.233
flat angles C4'-P-C4' energy: -13.472
flat angles P-C4'-P energy: -7.110
tors. eta vs tors. theta energy: -5.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -65.617131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.617131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.617131 (E_RNA)
where:
Base-Base interactions energy: -29.609
where: short stacking energy: -18.472
Base-Backbone interact. energy: -0.139
local terms energy: -35.869083
where:
bonds (distance) C4'-P energy: -9.111
bonds (distance) P-C4' energy: -12.374
flat angles C4'-P-C4' energy: -12.000
flat angles P-C4'-P energy: -3.026
tors. eta vs tors. theta energy: 0.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -73.933494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.933494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.933494 (E_RNA)
where:
Base-Base interactions energy: -41.753
where: short stacking energy: -13.974
Base-Backbone interact. energy: -0.274
local terms energy: -31.906635
where:
bonds (distance) C4'-P energy: -7.935
bonds (distance) P-C4' energy: -13.171
flat angles C4'-P-C4' energy: -6.867
flat angles P-C4'-P energy: -4.143
tors. eta vs tors. theta energy: 0.209
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: 9
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -78.394355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.394355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.394355 (E_RNA)
where:
Base-Base interactions energy: -38.321
where: short stacking energy: -20.264
Base-Backbone interact. energy: -1.513
local terms energy: -38.559733
where:
bonds (distance) C4'-P energy: -9.231
bonds (distance) P-C4' energy: -8.532
flat angles C4'-P-C4' energy: -9.656
flat angles P-C4'-P energy: -7.645
tors. eta vs tors. theta energy: -3.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -62.850044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.850044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.850044 (E_RNA)
where:
Base-Base interactions energy: -26.499
where: short stacking energy: -12.000
Base-Backbone interact. energy: -0.308
local terms energy: -36.042344
where:
bonds (distance) C4'-P energy: -11.028
bonds (distance) P-C4' energy: -9.707
flat angles C4'-P-C4' energy: -9.763
flat angles P-C4'-P energy: -6.663
tors. eta vs tors. theta energy: 1.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -66.375076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.375076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.375076 (E_RNA)
where:
Base-Base interactions energy: -30.011
where: short stacking energy: -15.855
Base-Backbone interact. energy: -0.304
local terms energy: -36.060439
where:
bonds (distance) C4'-P energy: -7.815
bonds (distance) P-C4' energy: -9.921
flat angles C4'-P-C4' energy: -10.501
flat angles P-C4'-P energy: -7.990
tors. eta vs tors. theta energy: 0.166
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: 7
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -181.147730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.147730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.147730 (E_RNA)
where:
Base-Base interactions energy: -114.695
where: short stacking energy: -39.847
Base-Backbone interact. energy: -0.634
local terms energy: -65.818430
where:
bonds (distance) C4'-P energy: -12.953
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -15.097
flat angles P-C4'-P energy: -6.636
tors. eta vs tors. theta energy: -16.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -178.930918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.930918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.930918 (E_RNA)
where:
Base-Base interactions energy: -118.492
where: short stacking energy: -49.330
Base-Backbone interact. energy: -0.065
local terms energy: -60.373997
where:
bonds (distance) C4'-P energy: -11.524
bonds (distance) P-C4' energy: -14.033
flat angles C4'-P-C4' energy: -12.036
flat angles P-C4'-P energy: -7.816
tors. eta vs tors. theta energy: -14.965
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: 3
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -176.347676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.347676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.347676 (E_RNA)
where:
Base-Base interactions energy: -115.182
where: short stacking energy: -46.175
Base-Backbone interact. energy: -0.008
local terms energy: -61.157018
where:
bonds (distance) C4'-P energy: -9.418
bonds (distance) P-C4' energy: -13.687
flat angles C4'-P-C4' energy: -13.939
flat angles P-C4'-P energy: -8.708
tors. eta vs tors. theta energy: -15.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -156.250125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.250125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.250125 (E_RNA)
where:
Base-Base interactions energy: -105.043
where: short stacking energy: -26.028
Base-Backbone interact. energy: -0.136
local terms energy: -51.071089
where:
bonds (distance) C4'-P energy: -11.291
bonds (distance) P-C4' energy: -14.378
flat angles C4'-P-C4' energy: -11.610
flat angles P-C4'-P energy: -6.012
tors. eta vs tors. theta energy: -7.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -126.030856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.030856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.030856 (E_RNA)
where:
Base-Base interactions energy: -67.659
where: short stacking energy: -28.853
Base-Backbone interact. energy: -0.971
local terms energy: -57.401061
where:
bonds (distance) C4'-P energy: -10.621
bonds (distance) P-C4' energy: -13.600
flat angles C4'-P-C4' energy: -12.958
flat angles P-C4'-P energy: -9.076
tors. eta vs tors. theta energy: -11.146
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: 2
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -82.822329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.822329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.822329 (E_RNA)
where:
Base-Base interactions energy: -37.943
where: short stacking energy: -24.776
Base-Backbone interact. energy: -0.119
local terms energy: -44.760021
where:
bonds (distance) C4'-P energy: -9.313
bonds (distance) P-C4' energy: -11.505
flat angles C4'-P-C4' energy: -9.220
flat angles P-C4'-P energy: -10.113
tors. eta vs tors. theta energy: -4.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -71.909919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.909919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.909919 (E_RNA)
where:
Base-Base interactions energy: -31.477
where: short stacking energy: -26.989
Base-Backbone interact. energy: 0.605
local terms energy: -41.036966
where:
bonds (distance) C4'-P energy: -10.705
bonds (distance) P-C4' energy: -9.062
flat angles C4'-P-C4' energy: -9.710
flat angles P-C4'-P energy: -3.751
tors. eta vs tors. theta energy: -7.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -75.068212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.068212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.068212 (E_RNA)
where:
Base-Base interactions energy: -39.594
where: short stacking energy: -15.379
Base-Backbone interact. energy: -0.258
local terms energy: -35.216042
where:
bonds (distance) C4'-P energy: -12.357
bonds (distance) P-C4' energy: -12.712
flat angles C4'-P-C4' energy: -2.745
flat angles P-C4'-P energy: -5.756
tors. eta vs tors. theta energy: -1.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -61.481470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.481470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.481470 (E_RNA)
where:
Base-Base interactions energy: -24.028
where: short stacking energy: -18.012
Base-Backbone interact. energy: -0.105
local terms energy: -37.348780
where:
bonds (distance) C4'-P energy: -7.534
bonds (distance) P-C4' energy: -11.855
flat angles C4'-P-C4' energy: -7.929
flat angles P-C4'-P energy: -7.879
tors. eta vs tors. theta energy: -2.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -62.517584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.517584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.517584 (E_RNA)
where:
Base-Base interactions energy: -28.455
where: short stacking energy: -17.740
Base-Backbone interact. energy: 0.401
local terms energy: -34.463792
where:
bonds (distance) C4'-P energy: -12.556
bonds (distance) P-C4' energy: -10.555
flat angles C4'-P-C4' energy: -5.474
flat angles P-C4'-P energy: -6.151
tors. eta vs tors. theta energy: 0.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -184.008581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.008581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.008581 (E_RNA)
where:
Base-Base interactions energy: -121.551
where: short stacking energy: -52.125
Base-Backbone interact. energy: -0.028
local terms energy: -62.429549
where:
bonds (distance) C4'-P energy: -12.054
bonds (distance) P-C4' energy: -11.682
flat angles C4'-P-C4' energy: -12.716
flat angles P-C4'-P energy: -9.151
tors. eta vs tors. theta energy: -16.828
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: 21
Temperature: 0.950000
Total energy: -180.713144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.713144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.713144 (E_RNA)
where:
Base-Base interactions energy: -121.403
where: short stacking energy: -49.904
Base-Backbone interact. energy: -1.054
local terms energy: -58.255643
where:
bonds (distance) C4'-P energy: -8.809
bonds (distance) P-C4' energy: -11.647
flat angles C4'-P-C4' energy: -11.432
flat angles P-C4'-P energy: -11.165
tors. eta vs tors. theta energy: -15.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -170.202081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.202081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.202081 (E_RNA)
where:
Base-Base interactions energy: -113.167
where: short stacking energy: -43.720
Base-Backbone interact. energy: -0.004
local terms energy: -57.030971
where:
bonds (distance) C4'-P energy: -8.109
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -12.899
flat angles P-C4'-P energy: -10.378
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: 4, replica: 5
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -131.792297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.792297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.792297 (E_RNA)
where:
Base-Base interactions energy: -76.890
where: short stacking energy: -39.368
Base-Backbone interact. energy: -0.291
local terms energy: -54.611206
where:
bonds (distance) C4'-P energy: -10.635
bonds (distance) P-C4' energy: -13.278
flat angles C4'-P-C4' energy: -14.047
flat angles P-C4'-P energy: -2.698
tors. eta vs tors. theta energy: -13.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -68.941875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.941875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.941875 (E_RNA)
where:
Base-Base interactions energy: -23.173
where: short stacking energy: -15.793
Base-Backbone interact. energy: -0.045
local terms energy: -45.723423
where:
bonds (distance) C4'-P energy: -13.123
bonds (distance) P-C4' energy: -13.839
flat angles C4'-P-C4' energy: -13.753
flat angles P-C4'-P energy: -7.401
tors. eta vs tors. theta energy: 2.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -73.515044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.515044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.515044 (E_RNA)
where:
Base-Base interactions energy: -30.744
where: short stacking energy: -20.667
Base-Backbone interact. energy: -0.249
local terms energy: -42.522097
where:
bonds (distance) C4'-P energy: -13.007
bonds (distance) P-C4' energy: -10.127
flat angles C4'-P-C4' energy: -10.472
flat angles P-C4'-P energy: -7.282
tors. eta vs tors. theta energy: -1.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -100.395629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.395629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.395629 (E_RNA)
where:
Base-Base interactions energy: -54.484
where: short stacking energy: -19.261
Base-Backbone interact. energy: -0.321
local terms energy: -45.591450
where:
bonds (distance) C4'-P energy: -11.715
bonds (distance) P-C4' energy: -13.359
flat angles C4'-P-C4' energy: -8.305
flat angles P-C4'-P energy: -7.799
tors. eta vs tors. theta energy: -4.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -66.186016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.186016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.186016 (E_RNA)
where:
Base-Base interactions energy: -26.141
where: short stacking energy: -20.006
Base-Backbone interact. energy: -0.295
local terms energy: -39.749784
where:
bonds (distance) C4'-P energy: -8.040
bonds (distance) P-C4' energy: -10.078
flat angles C4'-P-C4' energy: -12.070
flat angles P-C4'-P energy: -8.942
tors. eta vs tors. theta energy: -0.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -89.659908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.659908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.659908 (E_RNA)
where:
Base-Base interactions energy: -53.377
where: short stacking energy: -20.482
Base-Backbone interact. energy: -0.715
local terms energy: -35.568416
where:
bonds (distance) C4'-P energy: -7.385
bonds (distance) P-C4' energy: -10.493
flat angles C4'-P-C4' energy: -7.203
flat angles P-C4'-P energy: -7.056
tors. eta vs tors. theta energy: -3.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -58.552000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.552000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.552000 (E_RNA)
where:
Base-Base interactions energy: -14.539
where: short stacking energy: -14.539
Base-Backbone interact. energy: 0.019
local terms energy: -44.032012
where:
bonds (distance) C4'-P energy: -11.151
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -11.217
flat angles P-C4'-P energy: -5.373
tors. eta vs tors. theta energy: -2.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -183.062831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.062831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.062831 (E_RNA)
where:
Base-Base interactions energy: -120.607
where: short stacking energy: -48.897
Base-Backbone interact. energy: -0.007
local terms energy: -62.448241
where:
bonds (distance) C4'-P energy: -11.388
bonds (distance) P-C4' energy: -13.864
flat angles C4'-P-C4' energy: -12.377
flat angles P-C4'-P energy: -9.024
tors. eta vs tors. theta energy: -15.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -177.820413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.820413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.820413 (E_RNA)
where:
Base-Base interactions energy: -114.392
where: short stacking energy: -48.819
Base-Backbone interact. energy: -0.010
local terms energy: -63.417899
where:
bonds (distance) C4'-P energy: -10.904
bonds (distance) P-C4' energy: -13.959
flat angles C4'-P-C4' energy: -13.684
flat angles P-C4'-P energy: -9.863
tors. eta vs tors. theta energy: -15.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -171.821470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.821470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.821470 (E_RNA)
where:
Base-Base interactions energy: -114.208
where: short stacking energy: -46.136
Base-Backbone interact. energy: -0.161
local terms energy: -57.452655
where:
bonds (distance) C4'-P energy: -10.556
bonds (distance) P-C4' energy: -10.767
flat angles C4'-P-C4' energy: -13.265
flat angles P-C4'-P energy: -7.908
tors. eta vs tors. theta energy: -14.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -130.787191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.787191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.787191 (E_RNA)
where:
Base-Base interactions energy: -82.383
where: short stacking energy: -31.551
Base-Backbone interact. energy: -0.166
local terms energy: -48.238228
where:
bonds (distance) C4'-P energy: -11.915
bonds (distance) P-C4' energy: -12.203
flat angles C4'-P-C4' energy: -8.512
flat angles P-C4'-P energy: -9.248
tors. eta vs tors. theta energy: -6.361
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: 8
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -104.752927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.752927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.752927 (E_RNA)
where:
Base-Base interactions energy: -63.991
where: short stacking energy: -18.899
Base-Backbone interact. energy: -1.244
local terms energy: -39.518078
where:
bonds (distance) C4'-P energy: -8.448
bonds (distance) P-C4' energy: -12.190
flat angles C4'-P-C4' energy: -7.025
flat angles P-C4'-P energy: -8.161
tors. eta vs tors. theta energy: -3.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -70.603669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.603669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.603669 (E_RNA)
where:
Base-Base interactions energy: -31.114
where: short stacking energy: -18.400
Base-Backbone interact. energy: -0.096
local terms energy: -39.393440
where:
bonds (distance) C4'-P energy: -9.085
bonds (distance) P-C4' energy: -13.469
flat angles C4'-P-C4' energy: -7.521
flat angles P-C4'-P energy: -7.280
tors. eta vs tors. theta energy: -2.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -71.370556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.370556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.370556 (E_RNA)
where:
Base-Base interactions energy: -22.859
where: short stacking energy: -18.350
Base-Backbone interact. energy: -0.263
local terms energy: -48.248526
where:
bonds (distance) C4'-P energy: -10.443
bonds (distance) P-C4' energy: -12.649
flat angles C4'-P-C4' energy: -12.024
flat angles P-C4'-P energy: -7.971
tors. eta vs tors. theta energy: -5.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -82.524148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.524148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.524148 (E_RNA)
where:
Base-Base interactions energy: -50.059
where: short stacking energy: -11.684
Base-Backbone interact. energy: -0.155
local terms energy: -32.309825
where:
bonds (distance) C4'-P energy: -11.421
bonds (distance) P-C4' energy: -12.496
flat angles C4'-P-C4' energy: -3.795
flat angles P-C4'-P energy: -6.492
tors. eta vs tors. theta energy: 1.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -64.598851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.598851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.598851 (E_RNA)
where:
Base-Base interactions energy: -25.587
where: short stacking energy: -16.879
Base-Backbone interact. energy: -0.129
local terms energy: -38.882073
where:
bonds (distance) C4'-P energy: -11.251
bonds (distance) P-C4' energy: -10.426
flat angles C4'-P-C4' energy: -12.644
flat angles P-C4'-P energy: -5.459
tors. eta vs tors. theta energy: 0.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -54.965173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.965173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.965173 (E_RNA)
where:
Base-Base interactions energy: -28.816
where: short stacking energy: -4.476
Base-Backbone interact. energy: 0.932
local terms energy: -27.081073
where:
bonds (distance) C4'-P energy: -12.739
bonds (distance) P-C4' energy: -10.700
flat angles C4'-P-C4' energy: -7.427
flat angles P-C4'-P energy: 0.123
tors. eta vs tors. theta energy: 3.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -185.213251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.213251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.213251 (E_RNA)
where:
Base-Base interactions energy: -120.642
where: short stacking energy: -50.574
Base-Backbone interact. energy: -0.022
local terms energy: -64.550045
where:
bonds (distance) C4'-P energy: -12.095
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -14.077
flat angles P-C4'-P energy: -8.868
tors. eta vs tors. theta energy: -16.245
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: 23
Temperature: 0.950000
Total energy: -175.077994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.077994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.077994 (E_RNA)
where:
Base-Base interactions energy: -115.529
where: short stacking energy: -49.988
Base-Backbone interact. energy: -0.003
local terms energy: -59.545889
where:
bonds (distance) C4'-P energy: -10.998
bonds (distance) P-C4' energy: -11.342
flat angles C4'-P-C4' energy: -13.299
flat angles P-C4'-P energy: -6.849
tors. eta vs tors. theta energy: -17.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -173.765459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.765459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.765459 (E_RNA)
where:
Base-Base interactions energy: -115.540
where: short stacking energy: -45.868
Base-Backbone interact. energy: -0.021
local terms energy: -58.204185
where:
bonds (distance) C4'-P energy: -8.648
bonds (distance) P-C4' energy: -11.802
flat angles C4'-P-C4' energy: -12.558
flat angles P-C4'-P energy: -7.417
tors. eta vs tors. theta energy: -17.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -139.082232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.082232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.082232 (E_RNA)
where:
Base-Base interactions energy: -93.091
where: short stacking energy: -31.254
Base-Backbone interact. energy: -0.030
local terms energy: -45.960847
where:
bonds (distance) C4'-P energy: -9.571
bonds (distance) P-C4' energy: -11.048
flat angles C4'-P-C4' energy: -11.480
flat angles P-C4'-P energy: -6.846
tors. eta vs tors. theta energy: -7.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -126.839948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.839948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.839948 (E_RNA)
where:
Base-Base interactions energy: -81.487
where: short stacking energy: -27.951
Base-Backbone interact. energy: -0.839
local terms energy: -44.514185
where:
bonds (distance) C4'-P energy: -5.607
bonds (distance) P-C4' energy: -11.904
flat angles C4'-P-C4' energy: -11.130
flat angles P-C4'-P energy: -10.555
tors. eta vs tors. theta energy: -5.318
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: 6, replica: 10
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -86.000241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.000241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.000241 (E_RNA)
where:
Base-Base interactions energy: -43.795
where: short stacking energy: -24.863
Base-Backbone interact. energy: -0.775
local terms energy: -41.429581
where:
bonds (distance) C4'-P energy: -12.415
bonds (distance) P-C4' energy: -8.597
flat angles C4'-P-C4' energy: -11.471
flat angles P-C4'-P energy: -4.602
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: 7, replica: 4
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -91.735030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.735030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.735030 (E_RNA)
where:
Base-Base interactions energy: -48.600
where: short stacking energy: -20.915
Base-Backbone interact. energy: -0.240
local terms energy: -42.895154
where:
bonds (distance) C4'-P energy: -10.005
bonds (distance) P-C4' energy: -11.757
flat angles C4'-P-C4' energy: -11.087
flat angles P-C4'-P energy: -7.509
tors. eta vs tors. theta energy: -2.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -64.130183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.130183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.130183 (E_RNA)
where:
Base-Base interactions energy: -23.662
where: short stacking energy: -19.760
Base-Backbone interact. energy: -0.146
local terms energy: -40.322421
where:
bonds (distance) C4'-P energy: -7.619
bonds (distance) P-C4' energy: -13.573
flat angles C4'-P-C4' energy: -11.248
flat angles P-C4'-P energy: -5.005
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: 9, replica: 2
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -69.423528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.423528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.423528 (E_RNA)
where:
Base-Base interactions energy: -40.139
where: short stacking energy: -10.994
Base-Backbone interact. energy: -0.209
local terms energy: -29.075841
where:
bonds (distance) C4'-P energy: -11.892
bonds (distance) P-C4' energy: -13.659
flat angles C4'-P-C4' energy: -8.307
flat angles P-C4'-P energy: -1.205
tors. eta vs tors. theta energy: 5.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -71.830016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.830016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.830016 (E_RNA)
where:
Base-Base interactions energy: -32.296
where: short stacking energy: -14.522
Base-Backbone interact. energy: -1.049
local terms energy: -38.484790
where:
bonds (distance) C4'-P energy: -7.390
bonds (distance) P-C4' energy: -10.926
flat angles C4'-P-C4' energy: -11.321
flat angles P-C4'-P energy: -6.217
tors. eta vs tors. theta energy: -2.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -181.748548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.748548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.748548 (E_RNA)
where:
Base-Base interactions energy: -118.359
where: short stacking energy: -52.279
Base-Backbone interact. energy: -0.001
local terms energy: -63.389082
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -12.925
flat angles C4'-P-C4' energy: -13.805
flat angles P-C4'-P energy: -7.462
tors. eta vs tors. theta energy: -16.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -182.808551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.808551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.808551 (E_RNA)
where:
Base-Base interactions energy: -114.728
where: short stacking energy: -47.393
Base-Backbone interact. energy: -0.286
local terms energy: -67.794210
where:
bonds (distance) C4'-P energy: -12.138
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -12.502
flat angles P-C4'-P energy: -11.182
tors. eta vs tors. theta energy: -17.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -172.014561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.014561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.014561 (E_RNA)
where:
Base-Base interactions energy: -108.030
where: short stacking energy: -45.961
Base-Backbone interact. energy: -0.127
local terms energy: -63.857388
where:
bonds (distance) C4'-P energy: -9.915
bonds (distance) P-C4' energy: -13.162
flat angles C4'-P-C4' energy: -13.474
flat angles P-C4'-P energy: -11.323
tors. eta vs tors. theta energy: -15.984
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: 8
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -130.746765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.746765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.746765 (E_RNA)
where:
Base-Base interactions energy: -75.102
where: short stacking energy: -33.232
Base-Backbone interact. energy: -0.053
local terms energy: -55.591312
where:
bonds (distance) C4'-P energy: -11.545
bonds (distance) P-C4' energy: -11.374
flat angles C4'-P-C4' energy: -12.783
flat angles P-C4'-P energy: -8.275
tors. eta vs tors. theta energy: -11.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -122.775499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.775499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.775499 (E_RNA)
where:
Base-Base interactions energy: -74.087
where: short stacking energy: -29.657
Base-Backbone interact. energy: -0.002
local terms energy: -48.686556
where:
bonds (distance) C4'-P energy: -13.238
bonds (distance) P-C4' energy: -10.762
flat angles C4'-P-C4' energy: -10.972
flat angles P-C4'-P energy: -4.550
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: 10
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -86.217127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.217127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.217127 (E_RNA)
where:
Base-Base interactions energy: -39.894
where: short stacking energy: -17.994
Base-Backbone interact. energy: -0.228
local terms energy: -46.095919
where:
bonds (distance) C4'-P energy: -11.714
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -10.631
flat angles P-C4'-P energy: -6.754
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: 7, replica: 6
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -73.707505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.707505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.707505 (E_RNA)
where:
Base-Base interactions energy: -31.979
where: short stacking energy: -15.581
Base-Backbone interact. energy: -0.204
local terms energy: -41.524612
where:
bonds (distance) C4'-P energy: -13.019
bonds (distance) P-C4' energy: -10.859
flat angles C4'-P-C4' energy: -9.527
flat angles P-C4'-P energy: -9.466
tors. eta vs tors. theta energy: 1.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -67.279504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.279504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.279504 (E_RNA)
where:
Base-Base interactions energy: -21.493
where: short stacking energy: -21.018
Base-Backbone interact. energy: -0.099
local terms energy: -45.687145
where:
bonds (distance) C4'-P energy: -11.719
bonds (distance) P-C4' energy: -12.198
flat angles C4'-P-C4' energy: -12.822
flat angles P-C4'-P energy: -3.786
tors. eta vs tors. theta energy: -5.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -67.393811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.393811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.393811 (E_RNA)
where:
Base-Base interactions energy: -24.239
where: short stacking energy: -20.957
Base-Backbone interact. energy: -0.001
local terms energy: -43.153774
where:
bonds (distance) C4'-P energy: -7.323
bonds (distance) P-C4' energy: -10.662
flat angles C4'-P-C4' energy: -9.387
flat angles P-C4'-P energy: -8.468
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: 10, replica: 2
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -64.340815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.340815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.340815 (E_RNA)
where:
Base-Base interactions energy: -18.486
where: short stacking energy: -15.790
Base-Backbone interact. energy: 0.014
local terms energy: -45.869022
where:
bonds (distance) C4'-P energy: -8.064
bonds (distance) P-C4' energy: -12.454
flat angles C4'-P-C4' energy: -14.086
flat angles P-C4'-P energy: -5.665
tors. eta vs tors. theta energy: -5.600
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: 3
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -183.624992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.624992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.624992 (E_RNA)
where:
Base-Base interactions energy: -121.630
where: short stacking energy: -43.852
Base-Backbone interact. energy: -0.056
local terms energy: -61.939311
where:
bonds (distance) C4'-P energy: -10.447
bonds (distance) P-C4' energy: -13.898
flat angles C4'-P-C4' energy: -14.633
flat angles P-C4'-P energy: -11.329
tors. eta vs tors. theta energy: -11.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -180.537260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.537260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.537260 (E_RNA)
where:
Base-Base interactions energy: -121.753
where: short stacking energy: -52.592
Base-Backbone interact. energy: -0.076
local terms energy: -58.708680
where:
bonds (distance) C4'-P energy: -11.074
bonds (distance) P-C4' energy: -12.482
flat angles C4'-P-C4' energy: -9.664
flat angles P-C4'-P energy: -7.440
tors. eta vs tors. theta energy: -18.049
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: 1
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -174.349072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.349072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.349072 (E_RNA)
where:
Base-Base interactions energy: -111.604
where: short stacking energy: -41.977
Base-Backbone interact. energy: -0.361
local terms energy: -62.383964
where:
bonds (distance) C4'-P energy: -10.494
bonds (distance) P-C4' energy: -13.085
flat angles C4'-P-C4' energy: -14.079
flat angles P-C4'-P energy: -9.232
tors. eta vs tors. theta energy: -15.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -117.680688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.680688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.680688 (E_RNA)
where:
Base-Base interactions energy: -65.905
where: short stacking energy: -28.812
Base-Backbone interact. energy: -0.086
local terms energy: -51.689508
where:
bonds (distance) C4'-P energy: -7.824
bonds (distance) P-C4' energy: -13.057
flat angles C4'-P-C4' energy: -15.221
flat angles P-C4'-P energy: -6.416
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: 5, replica: 8
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -103.313740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.313740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.313740 (E_RNA)
where:
Base-Base interactions energy: -50.913
where: short stacking energy: -20.097
Base-Backbone interact. energy: -0.026
local terms energy: -52.374786
where:
bonds (distance) C4'-P energy: -9.761
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -11.866
flat angles P-C4'-P energy: -8.927
tors. eta vs tors. theta energy: -7.873
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: 6
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -87.605533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.605533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.605533 (E_RNA)
where:
Base-Base interactions energy: -42.144
where: short stacking energy: -16.532
Base-Backbone interact. energy: -0.028
local terms energy: -45.433492
where:
bonds (distance) C4'-P energy: -11.428
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -6.353
flat angles P-C4'-P energy: -7.019
tors. eta vs tors. theta energy: -5.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -104.252121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.252121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.252121 (E_RNA)
where:
Base-Base interactions energy: -61.286
where: short stacking energy: -27.212
Base-Backbone interact. energy: -1.028
local terms energy: -41.938330
where:
bonds (distance) C4'-P energy: -8.010
bonds (distance) P-C4' energy: -9.591
flat angles C4'-P-C4' energy: -8.004
flat angles P-C4'-P energy: -8.995
tors. eta vs tors. theta energy: -7.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -62.570146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.570146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.570146 (E_RNA)
where:
Base-Base interactions energy: -29.964
where: short stacking energy: -8.557
Base-Backbone interact. energy: 0.267
local terms energy: -32.873409
where:
bonds (distance) C4'-P energy: -10.506
bonds (distance) P-C4' energy: -10.101
flat angles C4'-P-C4' energy: -8.195
flat angles P-C4'-P energy: -6.262
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: 9, replica: 4
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -60.700119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.700119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.700119 (E_RNA)
where:
Base-Base interactions energy: -27.291
where: short stacking energy: -15.509
Base-Backbone interact. energy: 0.668
local terms energy: -34.076526
where:
bonds (distance) C4'-P energy: -6.801
bonds (distance) P-C4' energy: -8.618
flat angles C4'-P-C4' energy: -7.816
flat angles P-C4'-P energy: -6.559
tors. eta vs tors. theta energy: -4.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -63.201975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.201975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.201975 (E_RNA)
where:
Base-Base interactions energy: -24.146
where: short stacking energy: -10.373
Base-Backbone interact. energy: -0.185
local terms energy: -38.871845
where:
bonds (distance) C4'-P energy: -4.433
bonds (distance) P-C4' energy: -12.579
flat angles C4'-P-C4' energy: -12.539
flat angles P-C4'-P energy: -8.673
tors. eta vs tors. theta energy: -0.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -189.011631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.011631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.011631 (E_RNA)
where:
Base-Base interactions energy: -133.033
where: short stacking energy: -35.939
Base-Backbone interact. energy: -0.793
local terms energy: -55.185805
where:
bonds (distance) C4'-P energy: -13.495
bonds (distance) P-C4' energy: -11.879
flat angles C4'-P-C4' energy: -11.569
flat angles P-C4'-P energy: -6.577
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: 2, replica: 7
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -178.898456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.898456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.898456 (E_RNA)
where:
Base-Base interactions energy: -117.051
where: short stacking energy: -45.544
Base-Backbone interact. energy: -0.010
local terms energy: -61.836801
where:
bonds (distance) C4'-P energy: -7.289
bonds (distance) P-C4' energy: -11.848
flat angles C4'-P-C4' energy: -15.630
flat angles P-C4'-P energy: -8.396
tors. eta vs tors. theta energy: -18.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -184.030719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.030719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.030719 (E_RNA)
where:
Base-Base interactions energy: -120.726
where: short stacking energy: -42.427
Base-Backbone interact. energy: -0.453
local terms energy: -62.852061
where:
bonds (distance) C4'-P energy: -11.856
bonds (distance) P-C4' energy: -13.891
flat angles C4'-P-C4' energy: -13.497
flat angles P-C4'-P energy: -11.042
tors. eta vs tors. theta energy: -12.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -121.495423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.495423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.495423 (E_RNA)
where:
Base-Base interactions energy: -66.821
where: short stacking energy: -32.890
Base-Backbone interact. energy: -0.163
local terms energy: -54.511569
where:
bonds (distance) C4'-P energy: -11.238
bonds (distance) P-C4' energy: -11.168
flat angles C4'-P-C4' energy: -13.430
flat angles P-C4'-P energy: -9.463
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: 5, replica: 6
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -85.812177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.812177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.812177 (E_RNA)
where:
Base-Base interactions energy: -39.246
where: short stacking energy: -25.751
Base-Backbone interact. energy: -0.154
local terms energy: -46.411594
where:
bonds (distance) C4'-P energy: -10.423
bonds (distance) P-C4' energy: -13.564
flat angles C4'-P-C4' energy: -11.847
flat angles P-C4'-P energy: -4.513
tors. eta vs tors. theta energy: -6.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -120.710245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.710245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.710245 (E_RNA)
where:
Base-Base interactions energy: -71.891
where: short stacking energy: -36.239
Base-Backbone interact. energy: -0.100
local terms energy: -48.719852
where:
bonds (distance) C4'-P energy: -10.033
bonds (distance) P-C4' energy: -10.843
flat angles C4'-P-C4' energy: -12.652
flat angles P-C4'-P energy: -3.569
tors. eta vs tors. theta energy: -11.623
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: 9
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -72.825160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.825160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.825160 (E_RNA)
where:
Base-Base interactions energy: -26.582
where: short stacking energy: -22.271
Base-Backbone interact. energy: -0.299
local terms energy: -45.944871
where:
bonds (distance) C4'-P energy: -9.322
bonds (distance) P-C4' energy: -9.930
flat angles C4'-P-C4' energy: -12.824
flat angles P-C4'-P energy: -9.293
tors. eta vs tors. theta energy: -4.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -88.712077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.712077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.712077 (E_RNA)
where:
Base-Base interactions energy: -41.528
where: short stacking energy: -13.316
Base-Backbone interact. energy: -0.165
local terms energy: -47.019026
where:
bonds (distance) C4'-P energy: -12.477
bonds (distance) P-C4' energy: -11.192
flat angles C4'-P-C4' energy: -11.021
flat angles P-C4'-P energy: -6.728
tors. eta vs tors. theta energy: -5.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -66.518643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.518643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.518643 (E_RNA)
where:
Base-Base interactions energy: -27.075
where: short stacking energy: -9.239
Base-Backbone interact. energy: -0.126
local terms energy: -39.317329
where:
bonds (distance) C4'-P energy: -11.749
bonds (distance) P-C4' energy: -10.246
flat angles C4'-P-C4' energy: -7.619
flat angles P-C4'-P energy: -9.393
tors. eta vs tors. theta energy: -0.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -56.439558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.439558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.439558 (E_RNA)
where:
Base-Base interactions energy: -16.860
where: short stacking energy: -16.860
Base-Backbone interact. energy: -0.052
local terms energy: -39.527507
where:
bonds (distance) C4'-P energy: -11.782
bonds (distance) P-C4' energy: -9.748
flat angles C4'-P-C4' energy: -11.170
flat angles P-C4'-P energy: -3.698
tors. eta vs tors. theta energy: -3.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -181.080089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.080089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.080089 (E_RNA)
where:
Base-Base interactions energy: -124.100
where: short stacking energy: -44.517
Base-Backbone interact. energy: -0.009
local terms energy: -56.971134
where:
bonds (distance) C4'-P energy: -10.452
bonds (distance) P-C4' energy: -13.307
flat angles C4'-P-C4' energy: -13.402
flat angles P-C4'-P energy: -7.950
tors. eta vs tors. theta energy: -11.860
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: 1
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -180.844100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.844100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.844100 (E_RNA)
where:
Base-Base interactions energy: -119.054
where: short stacking energy: -45.720
Base-Backbone interact. energy: -0.064
local terms energy: -61.725992
where:
bonds (distance) C4'-P energy: -12.395
bonds (distance) P-C4' energy: -12.035
flat angles C4'-P-C4' energy: -13.999
flat angles P-C4'-P energy: -6.243
tors. eta vs tors. theta energy: -17.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -177.042854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.042854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.042854 (E_RNA)
where:
Base-Base interactions energy: -115.175
where: short stacking energy: -47.153
Base-Backbone interact. energy: -0.001
local terms energy: -61.867082
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -11.066
flat angles P-C4'-P energy: -7.092
tors. eta vs tors. theta energy: -16.571
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: 5
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -97.343373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.343373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.343373 (E_RNA)
where:
Base-Base interactions energy: -49.086
where: short stacking energy: -18.590
Base-Backbone interact. energy: -0.282
local terms energy: -47.975055
where:
bonds (distance) C4'-P energy: -12.812
bonds (distance) P-C4' energy: -13.225
flat angles C4'-P-C4' energy: -12.641
flat angles P-C4'-P energy: -8.623
tors. eta vs tors. theta energy: -0.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -78.936833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.936833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.936833 (E_RNA)
where:
Base-Base interactions energy: -33.952
where: short stacking energy: -20.536
Base-Backbone interact. energy: 0.152
local terms energy: -45.137420
where:
bonds (distance) C4'-P energy: -14.191
bonds (distance) P-C4' energy: -10.379
flat angles C4'-P-C4' energy: -13.116
flat angles P-C4'-P energy: -7.382
tors. eta vs tors. theta energy: -0.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -85.478846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.478846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.478846 (E_RNA)
where:
Base-Base interactions energy: -37.009
where: short stacking energy: -23.178
Base-Backbone interact. energy: -0.913
local terms energy: -47.556673
where:
bonds (distance) C4'-P energy: -13.335
bonds (distance) P-C4' energy: -11.823
flat angles C4'-P-C4' energy: -11.081
flat angles P-C4'-P energy: -8.786
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: 7, replica: 8
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -81.133780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.133780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.133780 (E_RNA)
where:
Base-Base interactions energy: -45.793
where: short stacking energy: -5.426
Base-Backbone interact. energy: -0.580
local terms energy: -34.760484
where:
bonds (distance) C4'-P energy: -10.075
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -6.306
flat angles P-C4'-P energy: -7.585
tors. eta vs tors. theta energy: 2.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -63.622293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.622293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.622293 (E_RNA)
where:
Base-Base interactions energy: -27.904
where: short stacking energy: -6.963
Base-Backbone interact. energy: -0.255
local terms energy: -35.462663
where:
bonds (distance) C4'-P energy: -11.507
bonds (distance) P-C4' energy: -9.600
flat angles C4'-P-C4' energy: -10.032
flat angles P-C4'-P energy: -8.932
tors. eta vs tors. theta energy: 4.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -61.331475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.331475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.331475 (E_RNA)
where:
Base-Base interactions energy: -25.362
where: short stacking energy: -16.195
Base-Backbone interact. energy: 0.605
local terms energy: -36.574130
where:
bonds (distance) C4'-P energy: -5.840
bonds (distance) P-C4' energy: -7.328
flat angles C4'-P-C4' energy: -11.887
flat angles P-C4'-P energy: -7.829
tors. eta vs tors. theta energy: -3.690
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: 10, replica: 4
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -63.722796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.722796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.722796 (E_RNA)
where:
Base-Base interactions energy: -25.579
where: short stacking energy: -20.006
Base-Backbone interact. energy: -0.056
local terms energy: -38.087717
where:
bonds (distance) C4'-P energy: -13.243
bonds (distance) P-C4' energy: -11.006
flat angles C4'-P-C4' energy: -8.210
flat angles P-C4'-P energy: -1.148
tors. eta vs tors. theta energy: -4.482
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: 3
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -175.943774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.943774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.943774 (E_RNA)
where:
Base-Base interactions energy: -113.266
where: short stacking energy: -40.971
Base-Backbone interact. energy: -0.011
local terms energy: -62.666747
where:
bonds (distance) C4'-P energy: -12.987
bonds (distance) P-C4' energy: -12.715
flat angles C4'-P-C4' energy: -11.280
flat angles P-C4'-P energy: -10.169
tors. eta vs tors. theta energy: -15.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -186.895099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.895099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.895099 (E_RNA)
where:
Base-Base interactions energy: -120.875
where: short stacking energy: -46.823
Base-Backbone interact. energy: -0.222
local terms energy: -65.798746
where:
bonds (distance) C4'-P energy: -13.470
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -12.043
flat angles P-C4'-P energy: -11.629
tors. eta vs tors. theta energy: -14.889
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: 3, replica: 7
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -171.046870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.046870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.046870 (E_RNA)
where:
Base-Base interactions energy: -111.716
where: short stacking energy: -47.716
Base-Backbone interact. energy: -0.093
local terms energy: -59.237449
where:
bonds (distance) C4'-P energy: -12.464
bonds (distance) P-C4' energy: -11.867
flat angles C4'-P-C4' energy: -12.877
flat angles P-C4'-P energy: -4.986
tors. eta vs tors. theta energy: -17.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -92.310308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.310308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.310308 (E_RNA)
where:
Base-Base interactions energy: -46.271
where: short stacking energy: -18.165
Base-Backbone interact. energy: -0.089
local terms energy: -45.951160
where:
bonds (distance) C4'-P energy: -12.502
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -7.008
flat angles P-C4'-P energy: -9.500
tors. eta vs tors. theta energy: -4.550
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: 9
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -85.634160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.634160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.634160 (E_RNA)
where:
Base-Base interactions energy: -45.615
where: short stacking energy: -18.037
Base-Backbone interact. energy: -0.195
local terms energy: -39.824155
where:
bonds (distance) C4'-P energy: -9.945
bonds (distance) P-C4' energy: -11.546
flat angles C4'-P-C4' energy: -11.433
flat angles P-C4'-P energy: -5.812
tors. eta vs tors. theta energy: -1.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -68.627235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.627235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.627235 (E_RNA)
where:
Base-Base interactions energy: -28.286
where: short stacking energy: -17.407
Base-Backbone interact. energy: -0.645
local terms energy: -39.696184
where:
bonds (distance) C4'-P energy: -12.092
bonds (distance) P-C4' energy: -12.120
flat angles C4'-P-C4' energy: -10.790
flat angles P-C4'-P energy: -4.010
tors. eta vs tors. theta energy: -0.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -81.810551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.810551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.810551 (E_RNA)
where:
Base-Base interactions energy: -46.548
where: short stacking energy: -16.428
Base-Backbone interact. energy: -0.124
local terms energy: -35.138189
where:
bonds (distance) C4'-P energy: -7.972
bonds (distance) P-C4' energy: -12.637
flat angles C4'-P-C4' energy: -10.762
flat angles P-C4'-P energy: -5.928
tors. eta vs tors. theta energy: 2.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -75.776462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.776462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.776462 (E_RNA)
where:
Base-Base interactions energy: -31.533
where: short stacking energy: -17.829
Base-Backbone interact. energy: -0.350
local terms energy: -43.892806
where:
bonds (distance) C4'-P energy: -8.971
bonds (distance) P-C4' energy: -13.963
flat angles C4'-P-C4' energy: -11.077
flat angles P-C4'-P energy: -8.101
tors. eta vs tors. theta energy: -1.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -63.560989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.560989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.560989 (E_RNA)
where:
Base-Base interactions energy: -21.487
where: short stacking energy: -15.873
Base-Backbone interact. energy: -0.136
local terms energy: -41.938182
where:
bonds (distance) C4'-P energy: -8.925
bonds (distance) P-C4' energy: -11.522
flat angles C4'-P-C4' energy: -14.226
flat angles P-C4'-P energy: -5.518
tors. eta vs tors. theta energy: -1.748
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: 10
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -58.458562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.458562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.458562 (E_RNA)
where:
Base-Base interactions energy: -18.893
where: short stacking energy: -10.912
Base-Backbone interact. energy: -0.079
local terms energy: -39.486431
where:
bonds (distance) C4'-P energy: -10.920
bonds (distance) P-C4' energy: -10.229
flat angles C4'-P-C4' energy: -12.965
flat angles P-C4'-P energy: -6.597
tors. eta vs tors. theta energy: 1.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -177.605150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.605150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.605150 (E_RNA)
where:
Base-Base interactions energy: -116.481
where: short stacking energy: -42.250
Base-Backbone interact. energy: -0.070
local terms energy: -61.053594
where:
bonds (distance) C4'-P energy: -10.936
bonds (distance) P-C4' energy: -13.380
flat angles C4'-P-C4' energy: -13.286
flat angles P-C4'-P energy: -6.185
tors. eta vs tors. theta energy: -17.266
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: 7
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -177.637253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.637253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.637253 (E_RNA)
where:
Base-Base interactions energy: -117.165
where: short stacking energy: -47.181
Base-Backbone interact. energy: -0.154
local terms energy: -60.317773
where:
bonds (distance) C4'-P energy: -12.816
bonds (distance) P-C4' energy: -10.224
flat angles C4'-P-C4' energy: -11.074
flat angles P-C4'-P energy: -8.326
tors. eta vs tors. theta energy: -17.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -182.034395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.034395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.034395 (E_RNA)
where:
Base-Base interactions energy: -114.595
where: short stacking energy: -49.090
Base-Backbone interact. energy: -0.039
local terms energy: -67.401053
where:
bonds (distance) C4'-P energy: -11.900
bonds (distance) P-C4' energy: -13.205
flat angles C4'-P-C4' energy: -13.702
flat angles P-C4'-P energy: -11.615
tors. eta vs tors. theta energy: -16.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -100.803847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.803847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.803847 (E_RNA)
where:
Base-Base interactions energy: -57.680
where: short stacking energy: -18.208
Base-Backbone interact. energy: -0.889
local terms energy: -42.234981
where:
bonds (distance) C4'-P energy: -11.615
bonds (distance) P-C4' energy: -11.912
flat angles C4'-P-C4' energy: -7.361
flat angles P-C4'-P energy: -10.773
tors. eta vs tors. theta energy: -0.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -80.111498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.111498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.111498 (E_RNA)
where:
Base-Base interactions energy: -45.379
where: short stacking energy: -17.592
Base-Backbone interact. energy: -0.117
local terms energy: -34.616268
where:
bonds (distance) C4'-P energy: -9.003
bonds (distance) P-C4' energy: -12.278
flat angles C4'-P-C4' energy: -9.599
flat angles P-C4'-P energy: -4.657
tors. eta vs tors. theta energy: 0.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -78.932300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.932300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.932300 (E_RNA)
where:
Base-Base interactions energy: -29.940
where: short stacking energy: -25.061
Base-Backbone interact. energy: -0.046
local terms energy: -48.945962
where:
bonds (distance) C4'-P energy: -12.811
bonds (distance) P-C4' energy: -13.322
flat angles C4'-P-C4' energy: -11.640
flat angles P-C4'-P energy: -7.055
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: 7, replica: 6
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -73.050071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.050071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.050071 (E_RNA)
where:
Base-Base interactions energy: -19.939
where: short stacking energy: -19.060
Base-Backbone interact. energy: -0.000
local terms energy: -53.110889
where:
bonds (distance) C4'-P energy: -13.238
bonds (distance) P-C4' energy: -13.162
flat angles C4'-P-C4' energy: -14.362
flat angles P-C4'-P energy: -7.693
tors. eta vs tors. theta energy: -4.656
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: 8, replica: 8
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -60.729337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.729337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.729337 (E_RNA)
where:
Base-Base interactions energy: -18.630
where: short stacking energy: -18.630
Base-Backbone interact. energy: 3.020
local terms energy: -45.119956
where:
bonds (distance) C4'-P energy: -11.979
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -12.780
flat angles P-C4'-P energy: -5.839
tors. eta vs tors. theta energy: -0.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -78.704977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.704977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.704977 (E_RNA)
where:
Base-Base interactions energy: -45.059
where: short stacking energy: -17.772
Base-Backbone interact. energy: -0.024
local terms energy: -33.622410
where:
bonds (distance) C4'-P energy: -11.793
bonds (distance) P-C4' energy: -10.270
flat angles C4'-P-C4' energy: -10.653
flat angles P-C4'-P energy: -2.770
tors. eta vs tors. theta energy: 1.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -67.021231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.021231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.021231 (E_RNA)
where:
Base-Base interactions energy: -34.128
where: short stacking energy: -14.288
Base-Backbone interact. energy: -0.329
local terms energy: -32.565104
where:
bonds (distance) C4'-P energy: -9.422
bonds (distance) P-C4' energy: -7.136
flat angles C4'-P-C4' energy: -11.911
flat angles P-C4'-P energy: -5.068
tors. eta vs tors. theta energy: 0.972
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: 1, replica: 7
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -181.689626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.689626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.689626 (E_RNA)
where:
Base-Base interactions energy: -118.518
where: short stacking energy: -50.641
Base-Backbone interact. energy: -0.002
local terms energy: -63.170156
where:
bonds (distance) C4'-P energy: -12.084
bonds (distance) P-C4' energy: -10.991
flat angles C4'-P-C4' energy: -13.663
flat angles P-C4'-P energy: -10.308
tors. eta vs tors. theta energy: -16.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -176.201699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.201699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.201699 (E_RNA)
where:
Base-Base interactions energy: -115.633
where: short stacking energy: -40.479
Base-Backbone interact. energy: -0.203
local terms energy: -60.365288
where:
bonds (distance) C4'-P energy: -12.783
bonds (distance) P-C4' energy: -11.154
flat angles C4'-P-C4' energy: -12.291
flat angles P-C4'-P energy: -9.872
tors. eta vs tors. theta energy: -14.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -172.623054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.623054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.623054 (E_RNA)
where:
Base-Base interactions energy: -113.829
where: short stacking energy: -42.287
Base-Backbone interact. energy: -1.821
local terms energy: -56.973048
where:
bonds (distance) C4'-P energy: -8.200
bonds (distance) P-C4' energy: -9.991
flat angles C4'-P-C4' energy: -14.476
flat angles P-C4'-P energy: -9.720
tors. eta vs tors. theta energy: -14.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -114.371906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.371906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.371906 (E_RNA)
where:
Base-Base interactions energy: -65.095
where: short stacking energy: -22.358
Base-Backbone interact. energy: -0.334
local terms energy: -48.943147
where:
bonds (distance) C4'-P energy: -10.656
bonds (distance) P-C4' energy: -13.036
flat angles C4'-P-C4' energy: -11.990
flat angles P-C4'-P energy: -6.424
tors. eta vs tors. theta energy: -6.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -79.757443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.757443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.757443 (E_RNA)
where:
Base-Base interactions energy: -39.765
where: short stacking energy: -25.483
Base-Backbone interact. energy: -0.048
local terms energy: -39.944889
where:
bonds (distance) C4'-P energy: -12.535
bonds (distance) P-C4' energy: -10.603
flat angles C4'-P-C4' energy: -10.395
flat angles P-C4'-P energy: -0.947
tors. eta vs tors. theta energy: -5.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -80.268558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.268558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.268558 (E_RNA)
where:
Base-Base interactions energy: -32.718
where: short stacking energy: -10.071
Base-Backbone interact. energy: -0.019
local terms energy: -47.530781
where:
bonds (distance) C4'-P energy: -11.429
bonds (distance) P-C4' energy: -13.690
flat angles C4'-P-C4' energy: -9.896
flat angles P-C4'-P energy: -9.397
tors. eta vs tors. theta energy: -3.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -68.084912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.084912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.084912 (E_RNA)
where:
Base-Base interactions energy: -38.921
where: short stacking energy: -16.431
Base-Backbone interact. energy: -0.054
local terms energy: -29.110149
where:
bonds (distance) C4'-P energy: -10.058
bonds (distance) P-C4' energy: -8.888
flat angles C4'-P-C4' energy: -4.395
flat angles P-C4'-P energy: -4.040
tors. eta vs tors. theta energy: -1.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -74.533499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.533499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.533499 (E_RNA)
where:
Base-Base interactions energy: -26.831
where: short stacking energy: -26.831
Base-Backbone interact. energy: -0.002
local terms energy: -47.700553
where:
bonds (distance) C4'-P energy: -8.933
bonds (distance) P-C4' energy: -10.883
flat angles C4'-P-C4' energy: -11.611
flat angles P-C4'-P energy: -9.441
tors. eta vs tors. theta energy: -6.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -56.872766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.872766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.872766 (E_RNA)
where:
Base-Base interactions energy: -17.452
where: short stacking energy: -10.011
Base-Backbone interact. energy: 0.050
local terms energy: -39.471263
where:
bonds (distance) C4'-P energy: -13.148
bonds (distance) P-C4' energy: -9.299
flat angles C4'-P-C4' energy: -12.752
flat angles P-C4'-P energy: -3.938
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: 10, replica: 4
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -73.866845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.866845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.866845 (E_RNA)
where:
Base-Base interactions energy: -30.435
where: short stacking energy: -21.234
Base-Backbone interact. energy: -0.146
local terms energy: -43.285423
where:
bonds (distance) C4'-P energy: -10.075
bonds (distance) P-C4' energy: -6.641
flat angles C4'-P-C4' energy: -14.143
flat angles P-C4'-P energy: -8.443
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: 1, replica: 7
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -182.829776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.829776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.829776 (E_RNA)
where:
Base-Base interactions energy: -117.134
where: short stacking energy: -45.486
Base-Backbone interact. energy: -0.095
local terms energy: -65.600765
where:
bonds (distance) C4'-P energy: -12.079
bonds (distance) P-C4' energy: -14.131
flat angles C4'-P-C4' energy: -12.705
flat angles P-C4'-P energy: -9.971
tors. eta vs tors. theta energy: -16.714
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: 1
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -174.274599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.274599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.274599 (E_RNA)
where:
Base-Base interactions energy: -118.294
where: short stacking energy: -51.811
Base-Backbone interact. energy: -0.087
local terms energy: -55.893694
where:
bonds (distance) C4'-P energy: -10.891
bonds (distance) P-C4' energy: -11.861
flat angles C4'-P-C4' energy: -13.926
flat angles P-C4'-P energy: -5.482
tors. eta vs tors. theta energy: -13.733
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: 3
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -169.054764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.054764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.054764 (E_RNA)
where:
Base-Base interactions energy: -110.483
where: short stacking energy: -41.772
Base-Backbone interact. energy: -0.263
local terms energy: -58.308493
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -13.065
flat angles C4'-P-C4' energy: -12.179
flat angles P-C4'-P energy: -8.932
tors. eta vs tors. theta energy: -10.882
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: 5
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -124.892336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.892336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.892336 (E_RNA)
where:
Base-Base interactions energy: -74.388
where: short stacking energy: -16.113
Base-Backbone interact. energy: -0.159
local terms energy: -50.345726
where:
bonds (distance) C4'-P energy: -12.013
bonds (distance) P-C4' energy: -12.333
flat angles C4'-P-C4' energy: -12.218
flat angles P-C4'-P energy: -10.224
tors. eta vs tors. theta energy: -3.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -95.429979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.429979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.429979 (E_RNA)
where:
Base-Base interactions energy: -49.947
where: short stacking energy: -10.235
Base-Backbone interact. energy: -0.671
local terms energy: -44.812315
where:
bonds (distance) C4'-P energy: -9.400
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -13.451
flat angles P-C4'-P energy: -7.131
tors. eta vs tors. theta energy: -1.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -97.240603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.240603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.240603 (E_RNA)
where:
Base-Base interactions energy: -52.554
where: short stacking energy: -24.894
Base-Backbone interact. energy: -0.587
local terms energy: -44.099291
where:
bonds (distance) C4'-P energy: -9.583
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -13.068
flat angles P-C4'-P energy: -7.190
tors. eta vs tors. theta energy: -0.764
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: 9
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -71.388292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.388292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.388292 (E_RNA)
where:
Base-Base interactions energy: -34.446
where: short stacking energy: -20.597
Base-Backbone interact. energy: -0.284
local terms energy: -36.657968
where:
bonds (distance) C4'-P energy: -9.476
bonds (distance) P-C4' energy: -13.050
flat angles C4'-P-C4' energy: -5.505
flat angles P-C4'-P energy: -2.953
tors. eta vs tors. theta energy: -5.674
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: 10
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -68.332129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.332129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.332129 (E_RNA)
where:
Base-Base interactions energy: -30.399
where: short stacking energy: -6.494
Base-Backbone interact. energy: 0.246
local terms energy: -38.179402
where:
bonds (distance) C4'-P energy: -9.521
bonds (distance) P-C4' energy: -13.112
flat angles C4'-P-C4' energy: -10.314
flat angles P-C4'-P energy: -6.651
tors. eta vs tors. theta energy: 1.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -56.152558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.152558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.152558 (E_RNA)
where:
Base-Base interactions energy: -19.118
where: short stacking energy: -12.039
Base-Backbone interact. energy: -0.114
local terms energy: -36.920144
where:
bonds (distance) C4'-P energy: -11.603
bonds (distance) P-C4' energy: -11.058
flat angles C4'-P-C4' energy: -10.521
flat angles P-C4'-P energy: -7.391
tors. eta vs tors. theta energy: 3.652
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: 4
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -57.152577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.152577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.152577 (E_RNA)
where:
Base-Base interactions energy: -18.362
where: short stacking energy: -12.127
Base-Backbone interact. energy: -0.010
local terms energy: -38.780655
where:
bonds (distance) C4'-P energy: -8.217
bonds (distance) P-C4' energy: -12.920
flat angles C4'-P-C4' energy: -10.081
flat angles P-C4'-P energy: -6.669
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: 32
Temperature: 0.900000
Total energy: -176.852674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.852674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.852674 (E_RNA)
where:
Base-Base interactions energy: -117.673
where: short stacking energy: -36.767
Base-Backbone interact. energy: -0.092
local terms energy: -59.087631
where:
bonds (distance) C4'-P energy: -11.123
bonds (distance) P-C4' energy: -12.829
flat angles C4'-P-C4' energy: -13.527
flat angles P-C4'-P energy: -7.944
tors. eta vs tors. theta energy: -13.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -175.983495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.983495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.983495 (E_RNA)
where:
Base-Base interactions energy: -113.500
where: short stacking energy: -44.444
Base-Backbone interact. energy: -0.100
local terms energy: -62.383824
where:
bonds (distance) C4'-P energy: -11.977
bonds (distance) P-C4' energy: -12.867
flat angles C4'-P-C4' energy: -11.626
flat angles P-C4'-P energy: -9.712
tors. eta vs tors. theta energy: -16.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -177.568338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.568338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.568338 (E_RNA)
where:
Base-Base interactions energy: -112.938
where: short stacking energy: -46.034
Base-Backbone interact. energy: -0.577
local terms energy: -64.053365
where:
bonds (distance) C4'-P energy: -12.012
bonds (distance) P-C4' energy: -13.050
flat angles C4'-P-C4' energy: -14.476
flat angles P-C4'-P energy: -8.502
tors. eta vs tors. theta energy: -16.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -109.184098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.184098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.184098 (E_RNA)
where:
Base-Base interactions energy: -61.202
where: short stacking energy: -15.644
Base-Backbone interact. energy: 0.028
local terms energy: -48.010224
where:
bonds (distance) C4'-P energy: -11.231
bonds (distance) P-C4' energy: -11.487
flat angles C4'-P-C4' energy: -15.560
flat angles P-C4'-P energy: -8.434
tors. eta vs tors. theta energy: -1.298
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: 5, replica: 2
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -111.376042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.376042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.376042 (E_RNA)
where:
Base-Base interactions energy: -70.760
where: short stacking energy: -30.603
Base-Backbone interact. energy: -0.029
local terms energy: -40.586394
where:
bonds (distance) C4'-P energy: -10.277
bonds (distance) P-C4' energy: -10.298
flat angles C4'-P-C4' energy: -7.312
flat angles P-C4'-P energy: -1.724
tors. eta vs tors. theta energy: -10.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -92.874791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.874791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.874791 (E_RNA)
where:
Base-Base interactions energy: -53.645
where: short stacking energy: -14.396
Base-Backbone interact. energy: -0.201
local terms energy: -39.028557
where:
bonds (distance) C4'-P energy: -9.153
bonds (distance) P-C4' energy: -10.783
flat angles C4'-P-C4' energy: -7.036
flat angles P-C4'-P energy: -6.957
tors. eta vs tors. theta energy: -5.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -63.460592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.460592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.460592 (E_RNA)
where:
Base-Base interactions energy: -17.333
where: short stacking energy: -13.466
Base-Backbone interact. energy: -0.099
local terms energy: -46.028378
where:
bonds (distance) C4'-P energy: -12.029
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -12.020
flat angles P-C4'-P energy: -2.718
tors. eta vs tors. theta energy: -5.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -63.933245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.933245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.933245 (E_RNA)
where:
Base-Base interactions energy: -27.550
where: short stacking energy: -13.707
Base-Backbone interact. energy: -0.135
local terms energy: -36.248065
where:
bonds (distance) C4'-P energy: -8.921
bonds (distance) P-C4' energy: -11.911
flat angles C4'-P-C4' energy: -8.213
flat angles P-C4'-P energy: -7.162
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: 9, replica: 4
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -66.796761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.796761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.796761 (E_RNA)
where:
Base-Base interactions energy: -22.545
where: short stacking energy: -10.558
Base-Backbone interact. energy: -0.102
local terms energy: -44.149494
where:
bonds (distance) C4'-P energy: -11.657
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -8.458
flat angles P-C4'-P energy: -9.006
tors. eta vs tors. theta energy: 0.048
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: 6
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -64.913246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.913246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.913246 (E_RNA)
where:
Base-Base interactions energy: -24.368
where: short stacking energy: -16.132
Base-Backbone interact. energy: -0.007
local terms energy: -40.537948
where:
bonds (distance) C4'-P energy: -11.748
bonds (distance) P-C4' energy: -8.657
flat angles C4'-P-C4' energy: -9.222
flat angles P-C4'-P energy: -8.055
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: 1
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -188.628240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.628240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.628240 (E_RNA)
where:
Base-Base interactions energy: -133.658
where: short stacking energy: -40.490
Base-Backbone interact. energy: -0.199
local terms energy: -54.771085
where:
bonds (distance) C4'-P energy: -10.506
bonds (distance) P-C4' energy: -11.983
flat angles C4'-P-C4' energy: -11.298
flat angles P-C4'-P energy: -9.371
tors. eta vs tors. theta energy: -11.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -181.370298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.370298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.370298 (E_RNA)
where:
Base-Base interactions energy: -120.916
where: short stacking energy: -50.208
Base-Backbone interact. energy: -0.002
local terms energy: -60.453091
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -10.069
flat angles C4'-P-C4' energy: -11.606
flat angles P-C4'-P energy: -7.413
tors. eta vs tors. theta energy: -17.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -168.466292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.466292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.466292 (E_RNA)
where:
Base-Base interactions energy: -108.057
where: short stacking energy: -41.254
Base-Backbone interact. energy: -0.519
local terms energy: -59.890593
where:
bonds (distance) C4'-P energy: -9.818
bonds (distance) P-C4' energy: -11.898
flat angles C4'-P-C4' energy: -13.261
flat angles P-C4'-P energy: -8.561
tors. eta vs tors. theta energy: -16.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -103.791938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.791938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.791938 (E_RNA)
where:
Base-Base interactions energy: -56.672
where: short stacking energy: -27.947
Base-Backbone interact. energy: 0.937
local terms energy: -48.057298
where:
bonds (distance) C4'-P energy: -11.864
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -13.583
flat angles P-C4'-P energy: -5.895
tors. eta vs tors. theta energy: -3.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -106.270252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.270252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.270252 (E_RNA)
where:
Base-Base interactions energy: -60.320
where: short stacking energy: -24.514
Base-Backbone interact. energy: -0.029
local terms energy: -45.921217
where:
bonds (distance) C4'-P energy: -12.179
bonds (distance) P-C4' energy: -7.611
flat angles C4'-P-C4' energy: -13.019
flat angles P-C4'-P energy: -6.099
tors. eta vs tors. theta energy: -7.012
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: 10
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -86.600274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.600274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.600274 (E_RNA)
where:
Base-Base interactions energy: -48.181
where: short stacking energy: -26.313
Base-Backbone interact. energy: -0.090
local terms energy: -38.329184
where:
bonds (distance) C4'-P energy: -7.795
bonds (distance) P-C4' energy: -12.652
flat angles C4'-P-C4' energy: -7.482
flat angles P-C4'-P energy: -6.106
tors. eta vs tors. theta energy: -4.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -82.542659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.542659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.542659 (E_RNA)
where:
Base-Base interactions energy: -39.991
where: short stacking energy: -16.439
Base-Backbone interact. energy: -0.108
local terms energy: -42.444406
where:
bonds (distance) C4'-P energy: -14.873
bonds (distance) P-C4' energy: -11.549
flat angles C4'-P-C4' energy: -6.926
flat angles P-C4'-P energy: -7.013
tors. eta vs tors. theta energy: -2.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -59.575166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.575166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.575166 (E_RNA)
where:
Base-Base interactions energy: -18.238
where: short stacking energy: -16.349
Base-Backbone interact. energy: -0.091
local terms energy: -41.246176
where:
bonds (distance) C4'-P energy: -9.442
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -6.945
flat angles P-C4'-P energy: -5.482
tors. eta vs tors. theta energy: -4.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -69.398025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.398025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.398025 (E_RNA)
where:
Base-Base interactions energy: -32.030
where: short stacking energy: -16.388
Base-Backbone interact. energy: -0.066
local terms energy: -37.301930
where:
bonds (distance) C4'-P energy: -13.227
bonds (distance) P-C4' energy: -6.960
flat angles C4'-P-C4' energy: -9.268
flat angles P-C4'-P energy: -8.338
tors. eta vs tors. theta energy: 0.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -66.964936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.964936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.964936 (E_RNA)
where:
Base-Base interactions energy: -28.383
where: short stacking energy: -10.848
Base-Backbone interact. energy: -0.704
local terms energy: -37.877267
where:
bonds (distance) C4'-P energy: -11.400
bonds (distance) P-C4' energy: -11.845
flat angles C4'-P-C4' energy: -7.919
flat angles P-C4'-P energy: -2.405
tors. eta vs tors. theta energy: -4.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -183.462156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.462156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.462156 (E_RNA)
where:
Base-Base interactions energy: -117.736
where: short stacking energy: -45.324
Base-Backbone interact. energy: -0.050
local terms energy: -65.675787
where:
bonds (distance) C4'-P energy: -10.849
bonds (distance) P-C4' energy: -14.084
flat angles C4'-P-C4' energy: -13.359
flat angles P-C4'-P energy: -10.714
tors. eta vs tors. theta energy: -16.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -180.185177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.185177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.185177 (E_RNA)
where:
Base-Base interactions energy: -119.572
where: short stacking energy: -31.818
Base-Backbone interact. energy: 0.219
local terms energy: -60.831573
where:
bonds (distance) C4'-P energy: -13.594
bonds (distance) P-C4' energy: -13.600
flat angles C4'-P-C4' energy: -12.824
flat angles P-C4'-P energy: -9.633
tors. eta vs tors. theta energy: -11.180
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: 7
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -166.702464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.702464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.702464 (E_RNA)
where:
Base-Base interactions energy: -103.713
where: short stacking energy: -42.911
Base-Backbone interact. energy: -0.004
local terms energy: -62.985759
where:
bonds (distance) C4'-P energy: -13.292
bonds (distance) P-C4' energy: -14.374
flat angles C4'-P-C4' energy: -11.684
flat angles P-C4'-P energy: -7.976
tors. eta vs tors. theta energy: -15.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -96.960001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.960001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.960001 (E_RNA)
where:
Base-Base interactions energy: -55.670
where: short stacking energy: -23.489
Base-Backbone interact. energy: -0.049
local terms energy: -41.240384
where:
bonds (distance) C4'-P energy: -12.602
bonds (distance) P-C4' energy: -10.414
flat angles C4'-P-C4' energy: -8.328
flat angles P-C4'-P energy: -7.925
tors. eta vs tors. theta energy: -1.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -73.074837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.074837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.074837 (E_RNA)
where:
Base-Base interactions energy: -27.368
where: short stacking energy: -20.981
Base-Backbone interact. energy: -0.013
local terms energy: -45.693323
where:
bonds (distance) C4'-P energy: -13.607
bonds (distance) P-C4' energy: -10.274
flat angles C4'-P-C4' energy: -9.809
flat angles P-C4'-P energy: -4.323
tors. eta vs tors. theta energy: -7.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -70.515732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.515732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.515732 (E_RNA)
where:
Base-Base interactions energy: -25.829
where: short stacking energy: -15.681
Base-Backbone interact. energy: -0.283
local terms energy: -44.404011
where:
bonds (distance) C4'-P energy: -12.120
bonds (distance) P-C4' energy: -13.398
flat angles C4'-P-C4' energy: -11.134
flat angles P-C4'-P energy: -6.004
tors. eta vs tors. theta energy: -1.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -77.392147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.392147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.392147 (E_RNA)
where:
Base-Base interactions energy: -32.212
where: short stacking energy: -25.056
Base-Backbone interact. energy: -0.038
local terms energy: -45.142047
where:
bonds (distance) C4'-P energy: -13.230
bonds (distance) P-C4' energy: -8.166
flat angles C4'-P-C4' energy: -11.256
flat angles P-C4'-P energy: -2.204
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: 8, replica: 8
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -76.477924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.477924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.477924 (E_RNA)
where:
Base-Base interactions energy: -26.528
where: short stacking energy: -21.379
Base-Backbone interact. energy: -0.209
local terms energy: -49.740395
where:
bonds (distance) C4'-P energy: -14.394
bonds (distance) P-C4' energy: -11.186
flat angles C4'-P-C4' energy: -12.105
flat angles P-C4'-P energy: -9.455
tors. eta vs tors. theta energy: -2.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -65.553087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.553087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.553087 (E_RNA)
where:
Base-Base interactions energy: -29.228
where: short stacking energy: -14.534
Base-Backbone interact. energy: -0.324
local terms energy: -36.000585
where:
bonds (distance) C4'-P energy: -8.163
bonds (distance) P-C4' energy: -9.300
flat angles C4'-P-C4' energy: -11.584
flat angles P-C4'-P energy: -6.564
tors. eta vs tors. theta energy: -0.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -59.109988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.109988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.109988 (E_RNA)
where:
Base-Base interactions energy: -15.243
where: short stacking energy: -12.877
Base-Backbone interact. energy: -0.095
local terms energy: -43.771803
where:
bonds (distance) C4'-P energy: -11.123
bonds (distance) P-C4' energy: -15.023
flat angles C4'-P-C4' energy: -11.726
flat angles P-C4'-P energy: -6.060
tors. eta vs tors. theta energy: 0.161
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: 3
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -184.650018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.650018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.650018 (E_RNA)
where:
Base-Base interactions energy: -116.220
where: short stacking energy: -49.281
Base-Backbone interact. energy: -0.386
local terms energy: -68.043745
where:
bonds (distance) C4'-P energy: -11.958
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -12.929
flat angles P-C4'-P energy: -10.692
tors. eta vs tors. theta energy: -17.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -174.884559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.884559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.884559 (E_RNA)
where:
Base-Base interactions energy: -115.530
where: short stacking energy: -40.336
Base-Backbone interact. energy: -0.209
local terms energy: -59.145045
where:
bonds (distance) C4'-P energy: -10.833
bonds (distance) P-C4' energy: -13.337
flat angles C4'-P-C4' energy: -11.728
flat angles P-C4'-P energy: -9.382
tors. eta vs tors. theta energy: -13.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -173.090669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.090669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.090669 (E_RNA)
where:
Base-Base interactions energy: -119.284
where: short stacking energy: -41.253
Base-Backbone interact. energy: -0.551
local terms energy: -53.256549
where:
bonds (distance) C4'-P energy: -12.459
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -7.174
flat angles P-C4'-P energy: -4.269
tors. eta vs tors. theta energy: -15.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -83.350230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.350230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.350230 (E_RNA)
where:
Base-Base interactions energy: -33.829
where: short stacking energy: -33.829
Base-Backbone interact. energy: -0.001
local terms energy: -49.519785
where:
bonds (distance) C4'-P energy: -11.098
bonds (distance) P-C4' energy: -12.561
flat angles C4'-P-C4' energy: -7.481
flat angles P-C4'-P energy: -8.889
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: 2
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -69.862507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.862507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.862507 (E_RNA)
where:
Base-Base interactions energy: -19.741
where: short stacking energy: -19.741
Base-Backbone interact. energy: -0.198
local terms energy: -49.923315
where:
bonds (distance) C4'-P energy: -11.132
bonds (distance) P-C4' energy: -12.110
flat angles C4'-P-C4' energy: -11.235
flat angles P-C4'-P energy: -10.884
tors. eta vs tors. theta energy: -4.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -76.743193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.743193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.743193 (E_RNA)
where:
Base-Base interactions energy: -22.438
where: short stacking energy: -14.771
Base-Backbone interact. energy: -0.002
local terms energy: -54.302739
where:
bonds (distance) C4'-P energy: -11.486
bonds (distance) P-C4' energy: -13.800
flat angles C4'-P-C4' energy: -11.379
flat angles P-C4'-P energy: -9.630
tors. eta vs tors. theta energy: -8.008
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: 4
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -68.392086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.392086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.392086 (E_RNA)
where:
Base-Base interactions energy: -38.172
where: short stacking energy: -14.160
Base-Backbone interact. energy: 0.602
local terms energy: -30.822225
where:
bonds (distance) C4'-P energy: -9.506
bonds (distance) P-C4' energy: -10.477
flat angles C4'-P-C4' energy: -6.589
flat angles P-C4'-P energy: -3.445
tors. eta vs tors. theta energy: -0.805
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: 35
Temperature: 1.250000
Total energy: -63.505729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.505729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.505729 (E_RNA)
where:
Base-Base interactions energy: -18.381
where: short stacking energy: -18.381
Base-Backbone interact. energy: -0.411
local terms energy: -44.714461
where:
bonds (distance) C4'-P energy: -11.784
bonds (distance) P-C4' energy: -11.520
flat angles C4'-P-C4' energy: -12.670
flat angles P-C4'-P energy: -7.332
tors. eta vs tors. theta energy: -1.409
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: 8
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -69.407414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.407414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.407414 (E_RNA)
where:
Base-Base interactions energy: -42.004
where: short stacking energy: -12.249
Base-Backbone interact. energy: -0.069
local terms energy: -27.334807
where:
bonds (distance) C4'-P energy: -9.949
bonds (distance) P-C4' energy: -8.997
flat angles C4'-P-C4' energy: -5.194
flat angles P-C4'-P energy: -3.983
tors. eta vs tors. theta energy: 0.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -54.831888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.831888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.831888 (E_RNA)
where:
Base-Base interactions energy: -11.049
where: short stacking energy: -9.701
Base-Backbone interact. energy: -0.129
local terms energy: -43.654038
where:
bonds (distance) C4'-P energy: -13.230
bonds (distance) P-C4' energy: -11.342
flat angles C4'-P-C4' energy: -10.065
flat angles P-C4'-P energy: -8.167
tors. eta vs tors. theta energy: -0.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -180.375995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.375995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.375995 (E_RNA)
where:
Base-Base interactions energy: -115.538
where: short stacking energy: -47.701
Base-Backbone interact. energy: -0.004
local terms energy: -64.833845
where:
bonds (distance) C4'-P energy: -10.949
bonds (distance) P-C4' energy: -13.131
flat angles C4'-P-C4' energy: -13.907
flat angles P-C4'-P energy: -8.319
tors. eta vs tors. theta energy: -18.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -175.297616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.297616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.297616 (E_RNA)
where:
Base-Base interactions energy: -124.227
where: short stacking energy: -44.379
Base-Backbone interact. energy: -0.271
local terms energy: -50.800213
where:
bonds (distance) C4'-P energy: -11.711
bonds (distance) P-C4' energy: -11.452
flat angles C4'-P-C4' energy: -7.548
flat angles P-C4'-P energy: -5.373
tors. eta vs tors. theta energy: -14.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -175.926358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.926358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.926358 (E_RNA)
where:
Base-Base interactions energy: -117.548
where: short stacking energy: -47.161
Base-Backbone interact. energy: -0.286
local terms energy: -58.091989
where:
bonds (distance) C4'-P energy: -13.335
bonds (distance) P-C4' energy: -9.557
flat angles C4'-P-C4' energy: -12.155
flat angles P-C4'-P energy: -6.744
tors. eta vs tors. theta energy: -16.301
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: 10
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -80.956208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.956208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.956208 (E_RNA)
where:
Base-Base interactions energy: -31.743
where: short stacking energy: -16.498
Base-Backbone interact. energy: 1.498
local terms energy: -50.710915
where:
bonds (distance) C4'-P energy: -12.253
bonds (distance) P-C4' energy: -11.733
flat angles C4'-P-C4' energy: -12.160
flat angles P-C4'-P energy: -6.031
tors. eta vs tors. theta energy: -8.534
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: 5
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -93.767990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.767990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.767990 (E_RNA)
where:
Base-Base interactions energy: -53.761
where: short stacking energy: -22.360
Base-Backbone interact. energy: -0.109
local terms energy: -39.897735
where:
bonds (distance) C4'-P energy: -10.262
bonds (distance) P-C4' energy: -7.970
flat angles C4'-P-C4' energy: -10.566
flat angles P-C4'-P energy: -8.396
tors. eta vs tors. theta energy: -2.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -112.984660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.984660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.984660 (E_RNA)
where:
Base-Base interactions energy: -69.442
where: short stacking energy: -29.111
Base-Backbone interact. energy: -0.916
local terms energy: -42.627098
where:
bonds (distance) C4'-P energy: -10.361
bonds (distance) P-C4' energy: -11.248
flat angles C4'-P-C4' energy: -9.951
flat angles P-C4'-P energy: -0.670
tors. eta vs tors. theta energy: -10.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -68.006351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.006351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.006351 (E_RNA)
where:
Base-Base interactions energy: -26.858
where: short stacking energy: -15.615
Base-Backbone interact. energy: 0.611
local terms energy: -41.759402
where:
bonds (distance) C4'-P energy: -11.554
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -7.227
flat angles P-C4'-P energy: -5.649
tors. eta vs tors. theta energy: -4.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -75.480247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.480247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.480247 (E_RNA)
where:
Base-Base interactions energy: -42.628
where: short stacking energy: -13.275
Base-Backbone interact. energy: -0.071
local terms energy: -32.780957
where:
bonds (distance) C4'-P energy: -4.223
bonds (distance) P-C4' energy: -12.363
flat angles C4'-P-C4' energy: -10.422
flat angles P-C4'-P energy: -7.554
tors. eta vs tors. theta energy: 1.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -61.074891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.074891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.074891 (E_RNA)
where:
Base-Base interactions energy: -17.153
where: short stacking energy: -7.952
Base-Backbone interact. energy: -0.195
local terms energy: -43.726660
where:
bonds (distance) C4'-P energy: -11.549
bonds (distance) P-C4' energy: -12.031
flat angles C4'-P-C4' energy: -13.023
flat angles P-C4'-P energy: -7.614
tors. eta vs tors. theta energy: 0.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -62.195873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.195873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.195873 (E_RNA)
where:
Base-Base interactions energy: -18.367
where: short stacking energy: -11.440
Base-Backbone interact. energy: -0.299
local terms energy: -43.530288
where:
bonds (distance) C4'-P energy: -8.535
bonds (distance) P-C4' energy: -8.837
flat angles C4'-P-C4' energy: -13.622
flat angles P-C4'-P energy: -9.017
tors. eta vs tors. theta energy: -3.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -182.776532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.776532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.776532 (E_RNA)
where:
Base-Base interactions energy: -120.315
where: short stacking energy: -45.385
Base-Backbone interact. energy: -0.044
local terms energy: -62.417703
where:
bonds (distance) C4'-P energy: -11.773
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -11.909
flat angles P-C4'-P energy: -7.571
tors. eta vs tors. theta energy: -16.536
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: 2, replica: 1
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -176.756995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.756995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.756995 (E_RNA)
where:
Base-Base interactions energy: -114.911
where: short stacking energy: -49.012
Base-Backbone interact. energy: 0.007
local terms energy: -61.853018
where:
bonds (distance) C4'-P energy: -13.470
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -10.025
flat angles P-C4'-P energy: -9.647
tors. eta vs tors. theta energy: -15.396
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: 7
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -175.773181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.773181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.773181 (E_RNA)
where:
Base-Base interactions energy: -117.527
where: short stacking energy: -46.048
Base-Backbone interact. energy: -0.001
local terms energy: -58.245165
where:
bonds (distance) C4'-P energy: -11.844
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -9.143
flat angles P-C4'-P energy: -10.056
tors. eta vs tors. theta energy: -14.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -90.087120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.087120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.087120 (E_RNA)
where:
Base-Base interactions energy: -45.878
where: short stacking energy: -13.195
Base-Backbone interact. energy: -0.274
local terms energy: -43.934883
where:
bonds (distance) C4'-P energy: -12.572
bonds (distance) P-C4' energy: -11.726
flat angles C4'-P-C4' energy: -8.564
flat angles P-C4'-P energy: -7.760
tors. eta vs tors. theta energy: -3.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -71.965302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.965302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.965302 (E_RNA)
where:
Base-Base interactions energy: -31.753
where: short stacking energy: -19.758
Base-Backbone interact. energy: -0.098
local terms energy: -40.113861
where:
bonds (distance) C4'-P energy: -8.151
bonds (distance) P-C4' energy: -10.815
flat angles C4'-P-C4' energy: -7.020
flat angles P-C4'-P energy: -7.820
tors. eta vs tors. theta energy: -6.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -121.423902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.423902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.423902 (E_RNA)
where:
Base-Base interactions energy: -74.746
where: short stacking energy: -30.854
Base-Backbone interact. energy: -0.065
local terms energy: -46.613260
where:
bonds (distance) C4'-P energy: -7.807
bonds (distance) P-C4' energy: -13.339
flat angles C4'-P-C4' energy: -10.518
flat angles P-C4'-P energy: -7.537
tors. eta vs tors. theta energy: -7.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -73.787562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.787562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.787562 (E_RNA)
where:
Base-Base interactions energy: -29.872
where: short stacking energy: -23.319
Base-Backbone interact. energy: 1.689
local terms energy: -45.604754
where:
bonds (distance) C4'-P energy: -12.840
bonds (distance) P-C4' energy: -12.287
flat angles C4'-P-C4' energy: -10.957
flat angles P-C4'-P energy: -5.418
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: 8, replica: 6
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -60.224708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.224708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.224708 (E_RNA)
where:
Base-Base interactions energy: -17.858
where: short stacking energy: -11.004
Base-Backbone interact. energy: 0.444
local terms energy: -42.810653
where:
bonds (distance) C4'-P energy: -12.530
bonds (distance) P-C4' energy: -12.100
flat angles C4'-P-C4' energy: -9.086
flat angles P-C4'-P energy: -9.123
tors. eta vs tors. theta energy: 0.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -58.574104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.574104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.574104 (E_RNA)
where:
Base-Base interactions energy: -20.400
where: short stacking energy: -9.149
Base-Backbone interact. energy: 0.064
local terms energy: -38.237710
where:
bonds (distance) C4'-P energy: -13.043
bonds (distance) P-C4' energy: -6.753
flat angles C4'-P-C4' energy: -10.512
flat angles P-C4'-P energy: -10.590
tors. eta vs tors. theta energy: 2.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -59.189546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.189546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.189546 (E_RNA)
where:
Base-Base interactions energy: -31.843
where: short stacking energy: -13.182
Base-Backbone interact. energy: -0.195
local terms energy: -27.151756
where:
bonds (distance) C4'-P energy: -8.754
bonds (distance) P-C4' energy: -11.190
flat angles C4'-P-C4' energy: -4.213
flat angles P-C4'-P energy: -4.049
tors. eta vs tors. theta energy: 1.054
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: 1
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -183.592667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.592667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.592667 (E_RNA)
where:
Base-Base interactions energy: -119.936
where: short stacking energy: -48.197
Base-Backbone interact. energy: -0.149
local terms energy: -63.507214
where:
bonds (distance) C4'-P energy: -12.145
bonds (distance) P-C4' energy: -10.743
flat angles C4'-P-C4' energy: -13.973
flat angles P-C4'-P energy: -10.885
tors. eta vs tors. theta energy: -15.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -178.276584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.276584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.276584 (E_RNA)
where:
Base-Base interactions energy: -110.966
where: short stacking energy: -43.187
Base-Backbone interact. energy: -0.058
local terms energy: -67.252035
where:
bonds (distance) C4'-P energy: -14.447
bonds (distance) P-C4' energy: -13.779
flat angles C4'-P-C4' energy: -13.336
flat angles P-C4'-P energy: -8.711
tors. eta vs tors. theta energy: -16.979
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: 3, replica: 7
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -177.791379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.791379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.791379 (E_RNA)
where:
Base-Base interactions energy: -118.824
where: short stacking energy: -50.456
Base-Backbone interact. energy: -0.001
local terms energy: -58.966510
where:
bonds (distance) C4'-P energy: -10.274
bonds (distance) P-C4' energy: -10.216
flat angles C4'-P-C4' energy: -13.329
flat angles P-C4'-P energy: -6.913
tors. eta vs tors. theta energy: -18.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -86.136307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.136307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.136307 (E_RNA)
where:
Base-Base interactions energy: -31.668
where: short stacking energy: -31.668
Base-Backbone interact. energy: -0.006
local terms energy: -54.462453
where:
bonds (distance) C4'-P energy: -11.561
bonds (distance) P-C4' energy: -12.612
flat angles C4'-P-C4' energy: -11.045
flat angles P-C4'-P energy: -6.498
tors. eta vs tors. theta energy: -12.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -124.128302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.128302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.128302 (E_RNA)
where:
Base-Base interactions energy: -85.086
where: short stacking energy: -16.754
Base-Backbone interact. energy: -1.072
local terms energy: -37.970896
where:
bonds (distance) C4'-P energy: -10.826
bonds (distance) P-C4' energy: -11.426
flat angles C4'-P-C4' energy: -5.417
flat angles P-C4'-P energy: -8.881
tors. eta vs tors. theta energy: -1.421
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: 10
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -80.712073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.712073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.712073 (E_RNA)
where:
Base-Base interactions energy: -46.330
where: short stacking energy: -22.106
Base-Backbone interact. energy: -0.120
local terms energy: -34.262363
where:
bonds (distance) C4'-P energy: -7.119
bonds (distance) P-C4' energy: -8.383
flat angles C4'-P-C4' energy: -8.974
flat angles P-C4'-P energy: -2.232
tors. eta vs tors. theta energy: -7.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -82.977361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.977361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.977361 (E_RNA)
where:
Base-Base interactions energy: -41.283
where: short stacking energy: -9.078
Base-Backbone interact. energy: -0.124
local terms energy: -41.570044
where:
bonds (distance) C4'-P energy: -13.119
bonds (distance) P-C4' energy: -10.209
flat angles C4'-P-C4' energy: -11.692
flat angles P-C4'-P energy: -5.186
tors. eta vs tors. theta energy: -1.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -67.120883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.120883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.120883 (E_RNA)
where:
Base-Base interactions energy: -26.167
where: short stacking energy: -14.711
Base-Backbone interact. energy: -0.188
local terms energy: -40.765194
where:
bonds (distance) C4'-P energy: -11.483
bonds (distance) P-C4' energy: -12.328
flat angles C4'-P-C4' energy: -7.336
flat angles P-C4'-P energy: -11.292
tors. eta vs tors. theta energy: 1.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -59.863731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.863731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.863731 (E_RNA)
where:
Base-Base interactions energy: -23.051
where: short stacking energy: -20.798
Base-Backbone interact. energy: -0.127
local terms energy: -36.685467
where:
bonds (distance) C4'-P energy: -10.584
bonds (distance) P-C4' energy: -10.940
flat angles C4'-P-C4' energy: -8.001
flat angles P-C4'-P energy: -6.758
tors. eta vs tors. theta energy: -0.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -67.564559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.564559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.564559 (E_RNA)
where:
Base-Base interactions energy: -35.411
where: short stacking energy: -16.574
Base-Backbone interact. energy: -0.094
local terms energy: -32.059399
where:
bonds (distance) C4'-P energy: -9.885
bonds (distance) P-C4' energy: -11.269
flat angles C4'-P-C4' energy: -6.969
flat angles P-C4'-P energy: -3.123
tors. eta vs tors. theta energy: -0.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -180.100366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.100366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.100366 (E_RNA)
where:
Base-Base interactions energy: -116.756
where: short stacking energy: -49.531
Base-Backbone interact. energy: -0.014
local terms energy: -63.329960
where:
bonds (distance) C4'-P energy: -9.997
bonds (distance) P-C4' energy: -11.322
flat angles C4'-P-C4' energy: -13.850
flat angles P-C4'-P energy: -10.357
tors. eta vs tors. theta energy: -17.805
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: 2, replica: 3
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -172.321497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.321497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.321497 (E_RNA)
where:
Base-Base interactions energy: -112.870
where: short stacking energy: -34.243
Base-Backbone interact. energy: -0.258
local terms energy: -59.193602
where:
bonds (distance) C4'-P energy: -12.228
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -11.052
flat angles P-C4'-P energy: -9.015
tors. eta vs tors. theta energy: -12.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -175.362347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.362347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.362347 (E_RNA)
where:
Base-Base interactions energy: -120.001
where: short stacking energy: -47.521
Base-Backbone interact. energy: -0.004
local terms energy: -55.357600
where:
bonds (distance) C4'-P energy: -12.411
bonds (distance) P-C4' energy: -13.050
flat angles C4'-P-C4' energy: -10.186
flat angles P-C4'-P energy: -7.101
tors. eta vs tors. theta energy: -12.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -127.916199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.916199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.916199 (E_RNA)
where:
Base-Base interactions energy: -90.069
where: short stacking energy: -17.478
Base-Backbone interact. energy: -0.592
local terms energy: -37.254726
where:
bonds (distance) C4'-P energy: -12.022
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -8.836
flat angles P-C4'-P energy: -5.833
tors. eta vs tors. theta energy: 2.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -79.624832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.624832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.624832 (E_RNA)
where:
Base-Base interactions energy: -27.817
where: short stacking energy: -21.218
Base-Backbone interact. energy: -0.921
local terms energy: -50.887071
where:
bonds (distance) C4'-P energy: -10.995
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -11.255
flat angles P-C4'-P energy: -8.181
tors. eta vs tors. theta energy: -6.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -76.195474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.195474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.195474 (E_RNA)
where:
Base-Base interactions energy: -27.595
where: short stacking energy: -17.523
Base-Backbone interact. energy: -0.437
local terms energy: -48.162750
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -13.864
flat angles C4'-P-C4' energy: -7.873
flat angles P-C4'-P energy: -8.637
tors. eta vs tors. theta energy: -2.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -67.925579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.925579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.925579 (E_RNA)
where:
Base-Base interactions energy: -26.121
where: short stacking energy: -14.986
Base-Backbone interact. energy: -0.115
local terms energy: -41.689821
where:
bonds (distance) C4'-P energy: -12.538
bonds (distance) P-C4' energy: -10.233
flat angles C4'-P-C4' energy: -12.968
flat angles P-C4'-P energy: -5.348
tors. eta vs tors. theta energy: -0.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -75.315075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.315075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.315075 (E_RNA)
where:
Base-Base interactions energy: -22.777
where: short stacking energy: -10.900
Base-Backbone interact. energy: -1.578
local terms energy: -50.960232
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -14.056
flat angles C4'-P-C4' energy: -10.022
flat angles P-C4'-P energy: -9.335
tors. eta vs tors. theta energy: -2.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -66.563786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.563786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.563786 (E_RNA)
where:
Base-Base interactions energy: -26.475
where: short stacking energy: -27.575
Base-Backbone interact. energy: -0.001
local terms energy: -40.088251
where:
bonds (distance) C4'-P energy: -10.545
bonds (distance) P-C4' energy: -13.476
flat angles C4'-P-C4' energy: -11.179
flat angles P-C4'-P energy: -0.950
tors. eta vs tors. theta energy: -3.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -75.408283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.408283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.408283 (E_RNA)
where:
Base-Base interactions energy: -33.851
where: short stacking energy: -17.966
Base-Backbone interact. energy: -0.308
local terms energy: -41.248666
where:
bonds (distance) C4'-P energy: -11.367
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -10.803
flat angles P-C4'-P energy: -3.046
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: 1, replica: 3
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -179.727643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.727643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.727643 (E_RNA)
where:
Base-Base interactions energy: -119.387
where: short stacking energy: -50.454
Base-Backbone interact. energy: -0.839
local terms energy: -59.501965
where:
bonds (distance) C4'-P energy: -7.823
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -13.359
flat angles P-C4'-P energy: -9.595
tors. eta vs tors. theta energy: -14.988
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: 1
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -179.292959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.292959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.292959 (E_RNA)
where:
Base-Base interactions energy: -115.941
where: short stacking energy: -37.925
Base-Backbone interact. energy: -0.051
local terms energy: -63.300951
where:
bonds (distance) C4'-P energy: -12.847
bonds (distance) P-C4' energy: -11.847
flat angles C4'-P-C4' energy: -12.826
flat angles P-C4'-P energy: -9.562
tors. eta vs tors. theta energy: -16.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -153.685138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.685138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.685138 (E_RNA)
where:
Base-Base interactions energy: -107.102
where: short stacking energy: -14.430
Base-Backbone interact. energy: -0.642
local terms energy: -45.941531
where:
bonds (distance) C4'-P energy: -10.609
bonds (distance) P-C4' energy: -14.047
flat angles C4'-P-C4' energy: -7.446
flat angles P-C4'-P energy: -7.666
tors. eta vs tors. theta energy: -6.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -170.464290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.464290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.464290 (E_RNA)
where:
Base-Base interactions energy: -106.946
where: short stacking energy: -43.116
Base-Backbone interact. energy: -0.027
local terms energy: -63.491804
where:
bonds (distance) C4'-P energy: -10.957
bonds (distance) P-C4' energy: -12.398
flat angles C4'-P-C4' energy: -12.006
flat angles P-C4'-P energy: -9.402
tors. eta vs tors. theta energy: -18.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -74.404346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.404346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.404346 (E_RNA)
where:
Base-Base interactions energy: -21.566
where: short stacking energy: -22.038
Base-Backbone interact. energy: -0.043
local terms energy: -52.795377
where:
bonds (distance) C4'-P energy: -12.377
bonds (distance) P-C4' energy: -13.307
flat angles C4'-P-C4' energy: -10.846
flat angles P-C4'-P energy: -9.307
tors. eta vs tors. theta energy: -6.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -69.367315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.367315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.367315 (E_RNA)
where:
Base-Base interactions energy: -19.420
where: short stacking energy: -19.420
Base-Backbone interact. energy: -0.003
local terms energy: -49.944131
where:
bonds (distance) C4'-P energy: -8.357
bonds (distance) P-C4' energy: -11.250
flat angles C4'-P-C4' energy: -12.468
flat angles P-C4'-P energy: -8.588
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: 9
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -58.506952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.506952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.506952 (E_RNA)
where:
Base-Base interactions energy: -17.934
where: short stacking energy: -17.819
Base-Backbone interact. energy: -0.018
local terms energy: -40.554419
where:
bonds (distance) C4'-P energy: -12.638
bonds (distance) P-C4' energy: -9.425
flat angles C4'-P-C4' energy: -10.641
flat angles P-C4'-P energy: -5.197
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: 8, replica: 10
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -70.149887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.149887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.149887 (E_RNA)
where:
Base-Base interactions energy: -27.509
where: short stacking energy: -12.981
Base-Backbone interact. energy: -0.487
local terms energy: -42.154531
where:
bonds (distance) C4'-P energy: -9.691
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -9.529
flat angles P-C4'-P energy: -8.379
tors. eta vs tors. theta energy: -0.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -53.475998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.475998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.475998 (E_RNA)
where:
Base-Base interactions energy: -19.849
where: short stacking energy: -13.502
Base-Backbone interact. energy: -0.039
local terms energy: -33.587988
where:
bonds (distance) C4'-P energy: -13.346
bonds (distance) P-C4' energy: -10.886
flat angles C4'-P-C4' energy: -7.961
flat angles P-C4'-P energy: -6.801
tors. eta vs tors. theta energy: 5.407
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: 8
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -64.861965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.861965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.861965 (E_RNA)
where:
Base-Base interactions energy: -27.266
where: short stacking energy: -12.679
Base-Backbone interact. energy: -0.122
local terms energy: -37.474017
where:
bonds (distance) C4'-P energy: -11.019
bonds (distance) P-C4' energy: -12.820
flat angles C4'-P-C4' energy: -9.809
flat angles P-C4'-P energy: -3.907
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: 3
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -182.932772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.932772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.932772 (E_RNA)
where:
Base-Base interactions energy: -121.370
where: short stacking energy: -50.766
Base-Backbone interact. energy: -0.016
local terms energy: -61.547291
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -11.799
flat angles C4'-P-C4' energy: -11.201
flat angles P-C4'-P energy: -7.451
tors. eta vs tors. theta energy: -16.488
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: 1
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -180.644308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.644308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.644308 (E_RNA)
where:
Base-Base interactions energy: -116.311
where: short stacking energy: -50.655
Base-Backbone interact. energy: -0.005
local terms energy: -64.328625
where:
bonds (distance) C4'-P energy: -13.028
bonds (distance) P-C4' energy: -12.895
flat angles C4'-P-C4' energy: -11.895
flat angles P-C4'-P energy: -8.508
tors. eta vs tors. theta energy: -18.003
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: 2
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -169.487468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.487468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.487468 (E_RNA)
where:
Base-Base interactions energy: -123.355
where: short stacking energy: -27.977
Base-Backbone interact. energy: -0.820
local terms energy: -45.312126
where:
bonds (distance) C4'-P energy: -11.755
bonds (distance) P-C4' energy: -10.860
flat angles C4'-P-C4' energy: -11.266
flat angles P-C4'-P energy: -3.752
tors. eta vs tors. theta energy: -7.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -174.587503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.587503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.587503 (E_RNA)
where:
Base-Base interactions energy: -111.950
where: short stacking energy: -38.356
Base-Backbone interact. energy: -0.019
local terms energy: -62.618269
where:
bonds (distance) C4'-P energy: -10.867
bonds (distance) P-C4' energy: -13.825
flat angles C4'-P-C4' energy: -10.200
flat angles P-C4'-P energy: -10.057
tors. eta vs tors. theta energy: -17.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -75.303293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.303293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.303293 (E_RNA)
where:
Base-Base interactions energy: -29.179
where: short stacking energy: -29.179
Base-Backbone interact. energy: -0.087
local terms energy: -46.036634
where:
bonds (distance) C4'-P energy: -11.649
bonds (distance) P-C4' energy: -10.032
flat angles C4'-P-C4' energy: -13.154
flat angles P-C4'-P energy: -6.788
tors. eta vs tors. theta energy: -4.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -66.390516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.390516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.390516 (E_RNA)
where:
Base-Base interactions energy: -21.977
where: short stacking energy: -18.663
Base-Backbone interact. energy: -0.140
local terms energy: -44.273722
where:
bonds (distance) C4'-P energy: -12.199
bonds (distance) P-C4' energy: -10.517
flat angles C4'-P-C4' energy: -12.764
flat angles P-C4'-P energy: -8.583
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: 7, replica: 9
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -66.399790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.399790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.399790 (E_RNA)
where:
Base-Base interactions energy: -26.954
where: short stacking energy: -25.445
Base-Backbone interact. energy: -0.458
local terms energy: -38.987370
where:
bonds (distance) C4'-P energy: -8.915
bonds (distance) P-C4' energy: -11.662
flat angles C4'-P-C4' energy: -9.920
flat angles P-C4'-P energy: -6.003
tors. eta vs tors. theta energy: -2.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -63.103521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.103521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.103521 (E_RNA)
where:
Base-Base interactions energy: -22.978
where: short stacking energy: -22.137
Base-Backbone interact. energy: -0.046
local terms energy: -40.079147
where:
bonds (distance) C4'-P energy: -10.816
bonds (distance) P-C4' energy: -7.796
flat angles C4'-P-C4' energy: -10.439
flat angles P-C4'-P energy: -5.969
tors. eta vs tors. theta energy: -5.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -75.704680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.704680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.704680 (E_RNA)
where:
Base-Base interactions energy: -26.927
where: short stacking energy: -16.497
Base-Backbone interact. energy: -0.582
local terms energy: -48.195787
where:
bonds (distance) C4'-P energy: -9.670
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -9.084
flat angles P-C4'-P energy: -10.288
tors. eta vs tors. theta energy: -3.585
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: 8
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -56.654425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.654425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.654425 (E_RNA)
where:
Base-Base interactions energy: -15.761
where: short stacking energy: -12.183
Base-Backbone interact. energy: -0.282
local terms energy: -40.610831
where:
bonds (distance) C4'-P energy: -10.622
bonds (distance) P-C4' energy: -11.064
flat angles C4'-P-C4' energy: -9.668
flat angles P-C4'-P energy: -9.132
tors. eta vs tors. theta energy: -0.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -178.865845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.865845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.865845 (E_RNA)
where:
Base-Base interactions energy: -114.656
where: short stacking energy: -48.532
Base-Backbone interact. energy: -0.001
local terms energy: -64.208975
where:
bonds (distance) C4'-P energy: -8.096
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -13.509
flat angles P-C4'-P energy: -9.931
tors. eta vs tors. theta energy: -17.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -180.951475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.951475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.951475 (E_RNA)
where:
Base-Base interactions energy: -118.669
where: short stacking energy: -46.984
Base-Backbone interact. energy: -0.692
local terms energy: -61.591187
where:
bonds (distance) C4'-P energy: -14.361
bonds (distance) P-C4' energy: -12.166
flat angles C4'-P-C4' energy: -12.186
flat angles P-C4'-P energy: -5.890
tors. eta vs tors. theta energy: -16.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -176.217963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.217963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.217963 (E_RNA)
where:
Base-Base interactions energy: -115.052
where: short stacking energy: -45.915
Base-Backbone interact. energy: -0.041
local terms energy: -61.125652
where:
bonds (distance) C4'-P energy: -11.871
bonds (distance) P-C4' energy: -13.970
flat angles C4'-P-C4' energy: -9.360
flat angles P-C4'-P energy: -8.600
tors. eta vs tors. theta energy: -17.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -156.273756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.273756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.273756 (E_RNA)
where:
Base-Base interactions energy: -113.066
where: short stacking energy: -26.018
Base-Backbone interact. energy: -0.607
local terms energy: -42.600441
where:
bonds (distance) C4'-P energy: -10.982
bonds (distance) P-C4' energy: -10.211
flat angles C4'-P-C4' energy: -11.743
flat angles P-C4'-P energy: -4.676
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: 5, replica: 5
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -70.572919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.572919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.572919 (E_RNA)
where:
Base-Base interactions energy: -24.555
where: short stacking energy: -17.313
Base-Backbone interact. energy: 0.219
local terms energy: -46.236619
where:
bonds (distance) C4'-P energy: -10.005
bonds (distance) P-C4' energy: -13.349
flat angles C4'-P-C4' energy: -12.040
flat angles P-C4'-P energy: -8.211
tors. eta vs tors. theta energy: -2.631
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: 6, replica: 6
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -66.075874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.075874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.075874 (E_RNA)
where:
Base-Base interactions energy: -23.247
where: short stacking energy: -19.547
Base-Backbone interact. energy: -0.166
local terms energy: -42.662477
where:
bonds (distance) C4'-P energy: -10.315
bonds (distance) P-C4' energy: -11.678
flat angles C4'-P-C4' energy: -9.474
flat angles P-C4'-P energy: -6.912
tors. eta vs tors. theta energy: -4.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -70.361477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.361477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.361477 (E_RNA)
where:
Base-Base interactions energy: -24.033
where: short stacking energy: -16.071
Base-Backbone interact. energy: -0.936
local terms energy: -45.392432
where:
bonds (distance) C4'-P energy: -10.120
bonds (distance) P-C4' energy: -12.290
flat angles C4'-P-C4' energy: -11.722
flat angles P-C4'-P energy: -5.563
tors. eta vs tors. theta energy: -5.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -65.189844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.189844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.189844 (E_RNA)
where:
Base-Base interactions energy: -27.884
where: short stacking energy: -2.492
Base-Backbone interact. energy: -0.161
local terms energy: -37.144169
where:
bonds (distance) C4'-P energy: -10.991
bonds (distance) P-C4' energy: -12.113
flat angles C4'-P-C4' energy: -12.011
flat angles P-C4'-P energy: -6.457
tors. eta vs tors. theta energy: 4.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -84.722582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.722582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.722582 (E_RNA)
where:
Base-Base interactions energy: -45.880
where: short stacking energy: -15.642
Base-Backbone interact. energy: 0.224
local terms energy: -39.066080
where:
bonds (distance) C4'-P energy: -5.045
bonds (distance) P-C4' energy: -13.458
flat angles C4'-P-C4' energy: -7.422
flat angles P-C4'-P energy: -7.387
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: 4
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -73.308604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.308604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.308604 (E_RNA)
where:
Base-Base interactions energy: -31.932
where: short stacking energy: -16.819
Base-Backbone interact. energy: 0.417
local terms energy: -41.793539
where:
bonds (distance) C4'-P energy: -13.118
bonds (distance) P-C4' energy: -7.243
flat angles C4'-P-C4' energy: -12.962
flat angles P-C4'-P energy: -7.747
tors. eta vs tors. theta energy: -0.725
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: 1, replica: 1
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -180.597756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.597756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.597756 (E_RNA)
where:
Base-Base interactions energy: -123.535
where: short stacking energy: -50.518
Base-Backbone interact. energy: -0.027
local terms energy: -57.035877
where:
bonds (distance) C4'-P energy: -9.207
bonds (distance) P-C4' energy: -12.794
flat angles C4'-P-C4' energy: -10.329
flat angles P-C4'-P energy: -8.548
tors. eta vs tors. theta energy: -16.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -176.341749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.341749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.341749 (E_RNA)
where:
Base-Base interactions energy: -118.088
where: short stacking energy: -46.823
Base-Backbone interact. energy: -0.644
local terms energy: -57.610315
where:
bonds (distance) C4'-P energy: -11.482
bonds (distance) P-C4' energy: -11.831
flat angles C4'-P-C4' energy: -11.104
flat angles P-C4'-P energy: -7.000
tors. eta vs tors. theta energy: -16.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -171.627242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.627242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.627242 (E_RNA)
where:
Base-Base interactions energy: -113.951
where: short stacking energy: -46.741
Base-Backbone interact. energy: -0.018
local terms energy: -57.658126
where:
bonds (distance) C4'-P energy: -8.374
bonds (distance) P-C4' energy: -13.589
flat angles C4'-P-C4' energy: -10.936
flat angles P-C4'-P energy: -9.080
tors. eta vs tors. theta energy: -15.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -169.807480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.807480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.807480 (E_RNA)
where:
Base-Base interactions energy: -119.675
where: short stacking energy: -17.090
Base-Backbone interact. energy: -0.225
local terms energy: -49.907976
where:
bonds (distance) C4'-P energy: -11.831
bonds (distance) P-C4' energy: -13.500
flat angles C4'-P-C4' energy: -10.647
flat angles P-C4'-P energy: -9.063
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: 5, replica: 5
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -69.376886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.376886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.376886 (E_RNA)
where:
Base-Base interactions energy: -22.020
where: short stacking energy: -22.020
Base-Backbone interact. energy: -0.077
local terms energy: -47.279693
where:
bonds (distance) C4'-P energy: -11.246
bonds (distance) P-C4' energy: -15.365
flat angles C4'-P-C4' energy: -9.931
flat angles P-C4'-P energy: -3.562
tors. eta vs tors. theta energy: -7.175
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: 43
Temperature: 1.150000
Total energy: -74.156585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.156585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.156585 (E_RNA)
where:
Base-Base interactions energy: -30.577
where: short stacking energy: -16.901
Base-Backbone interact. energy: -0.140
local terms energy: -43.439695
where:
bonds (distance) C4'-P energy: -10.290
bonds (distance) P-C4' energy: -13.250
flat angles C4'-P-C4' energy: -11.574
flat angles P-C4'-P energy: -8.172
tors. eta vs tors. theta energy: -0.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -76.497569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.497569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.497569 (E_RNA)
where:
Base-Base interactions energy: -31.129
where: short stacking energy: -25.506
Base-Backbone interact. energy: -0.078
local terms energy: -45.290906
where:
bonds (distance) C4'-P energy: -10.087
bonds (distance) P-C4' energy: -10.156
flat angles C4'-P-C4' energy: -10.895
flat angles P-C4'-P energy: -8.375
tors. eta vs tors. theta energy: -5.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -69.685075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.685075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.685075 (E_RNA)
where:
Base-Base interactions energy: -30.283
where: short stacking energy: -22.289
Base-Backbone interact. energy: -0.394
local terms energy: -39.008081
where:
bonds (distance) C4'-P energy: -10.879
bonds (distance) P-C4' energy: -14.265
flat angles C4'-P-C4' energy: -5.129
flat angles P-C4'-P energy: -5.117
tors. eta vs tors. theta energy: -3.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -61.693871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.693871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.693871 (E_RNA)
where:
Base-Base interactions energy: -22.739
where: short stacking energy: -12.194
Base-Backbone interact. energy: -0.174
local terms energy: -38.781814
where:
bonds (distance) C4'-P energy: -9.474
bonds (distance) P-C4' energy: -13.057
flat angles C4'-P-C4' energy: -8.687
flat angles P-C4'-P energy: -8.753
tors. eta vs tors. theta energy: 1.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -61.194208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.194208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.194208 (E_RNA)
where:
Base-Base interactions energy: -26.129
where: short stacking energy: -15.469
Base-Backbone interact. energy: 0.562
local terms energy: -35.627547
where:
bonds (distance) C4'-P energy: -10.000
bonds (distance) P-C4' energy: -7.777
flat angles C4'-P-C4' energy: -11.316
flat angles P-C4'-P energy: -8.662
tors. eta vs tors. theta energy: 2.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -182.462932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.462932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.462932 (E_RNA)
where:
Base-Base interactions energy: -115.270
where: short stacking energy: -44.925
Base-Backbone interact. energy: -0.001
local terms energy: -67.192555
where:
bonds (distance) C4'-P energy: -14.364
bonds (distance) P-C4' energy: -10.040
flat angles C4'-P-C4' energy: -15.353
flat angles P-C4'-P energy: -11.109
tors. eta vs tors. theta energy: -16.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -179.157708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.157708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.157708 (E_RNA)
where:
Base-Base interactions energy: -114.777
where: short stacking energy: -47.422
Base-Backbone interact. energy: -0.115
local terms energy: -64.265600
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -15.531
flat angles C4'-P-C4' energy: -10.839
flat angles P-C4'-P energy: -7.880
tors. eta vs tors. theta energy: -14.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -168.215470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.215470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.215470 (E_RNA)
where:
Base-Base interactions energy: -118.230
where: short stacking energy: -31.971
Base-Backbone interact. energy: -0.360
local terms energy: -49.625617
where:
bonds (distance) C4'-P energy: -7.082
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -14.197
flat angles P-C4'-P energy: -7.451
tors. eta vs tors. theta energy: -6.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -176.294418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.294418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.294418 (E_RNA)
where:
Base-Base interactions energy: -113.988
where: short stacking energy: -50.016
Base-Backbone interact. energy: -0.008
local terms energy: -62.298372
where:
bonds (distance) C4'-P energy: -10.431
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -14.006
flat angles P-C4'-P energy: -8.699
tors. eta vs tors. theta energy: -15.851
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: 6
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -87.055035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.055035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.055035 (E_RNA)
where:
Base-Base interactions energy: -40.506
where: short stacking energy: -31.919
Base-Backbone interact. energy: -0.002
local terms energy: -46.547736
where:
bonds (distance) C4'-P energy: -10.254
bonds (distance) P-C4' energy: -15.358
flat angles C4'-P-C4' energy: -11.181
flat angles P-C4'-P energy: -0.871
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: 6, replica: 5
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -73.811291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.811291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.811291 (E_RNA)
where:
Base-Base interactions energy: -29.119
where: short stacking energy: -15.108
Base-Backbone interact. energy: -0.011
local terms energy: -44.681463
where:
bonds (distance) C4'-P energy: -10.815
bonds (distance) P-C4' energy: -11.670
flat angles C4'-P-C4' energy: -8.867
flat angles P-C4'-P energy: -11.250
tors. eta vs tors. theta energy: -2.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -65.030253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.030253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.030253 (E_RNA)
where:
Base-Base interactions energy: -18.947
where: short stacking energy: -13.023
Base-Backbone interact. energy: -0.132
local terms energy: -45.951190
where:
bonds (distance) C4'-P energy: -12.778
bonds (distance) P-C4' energy: -12.913
flat angles C4'-P-C4' energy: -10.995
flat angles P-C4'-P energy: -7.790
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: 8, replica: 8
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -64.432392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.432392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.432392 (E_RNA)
where:
Base-Base interactions energy: -27.144
where: short stacking energy: -13.049
Base-Backbone interact. energy: -0.300
local terms energy: -36.989094
where:
bonds (distance) C4'-P energy: -14.423
bonds (distance) P-C4' energy: -11.054
flat angles C4'-P-C4' energy: -6.991
flat angles P-C4'-P energy: -6.067
tors. eta vs tors. theta energy: 1.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -72.281717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.281717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.281717 (E_RNA)
where:
Base-Base interactions energy: -24.229
where: short stacking energy: -15.232
Base-Backbone interact. energy: 0.500
local terms energy: -48.552970
where:
bonds (distance) C4'-P energy: -12.647
bonds (distance) P-C4' energy: -12.198
flat angles C4'-P-C4' energy: -12.332
flat angles P-C4'-P energy: -9.385
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: 9
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -53.217191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.217191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.217191 (E_RNA)
where:
Base-Base interactions energy: -16.486
where: short stacking energy: -6.778
Base-Backbone interact. energy: -0.193
local terms energy: -36.539104
where:
bonds (distance) C4'-P energy: -10.762
bonds (distance) P-C4' energy: -12.581
flat angles C4'-P-C4' energy: -6.307
flat angles P-C4'-P energy: -9.655
tors. eta vs tors. theta energy: 2.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -170.518044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.518044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.518044 (E_RNA)
where:
Base-Base interactions energy: -111.445
where: short stacking energy: -44.134
Base-Backbone interact. energy: -0.005
local terms energy: -59.068348
where:
bonds (distance) C4'-P energy: -10.825
bonds (distance) P-C4' energy: -11.126
flat angles C4'-P-C4' energy: -11.293
flat angles P-C4'-P energy: -11.043
tors. eta vs tors. theta energy: -14.782
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: 2
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -157.622356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.622356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.622356 (E_RNA)
where:
Base-Base interactions energy: -105.422
where: short stacking energy: -22.057
Base-Backbone interact. energy: -0.252
local terms energy: -51.948234
where:
bonds (distance) C4'-P energy: -12.340
bonds (distance) P-C4' energy: -13.725
flat angles C4'-P-C4' energy: -11.012
flat angles P-C4'-P energy: -6.570
tors. eta vs tors. theta energy: -8.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -171.223276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.223276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.223276 (E_RNA)
where:
Base-Base interactions energy: -115.149
where: short stacking energy: -43.217
Base-Backbone interact. energy: -0.551
local terms energy: -55.524158
where:
bonds (distance) C4'-P energy: -9.545
bonds (distance) P-C4' energy: -11.091
flat angles C4'-P-C4' energy: -12.368
flat angles P-C4'-P energy: -7.096
tors. eta vs tors. theta energy: -15.425
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: 4, replica: 3
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -170.292486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.292486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.292486 (E_RNA)
where:
Base-Base interactions energy: -109.489
where: short stacking energy: -47.255
Base-Backbone interact. energy: -0.053
local terms energy: -60.750815
where:
bonds (distance) C4'-P energy: -9.800
bonds (distance) P-C4' energy: -14.904
flat angles C4'-P-C4' energy: -11.580
flat angles P-C4'-P energy: -10.039
tors. eta vs tors. theta energy: -14.428
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: 5, replica: 6
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -79.253137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.253137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.253137 (E_RNA)
where:
Base-Base interactions energy: -36.861
where: short stacking energy: -18.168
Base-Backbone interact. energy: -0.044
local terms energy: -42.348032
where:
bonds (distance) C4'-P energy: -12.894
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -7.179
flat angles P-C4'-P energy: -6.688
tors. eta vs tors. theta energy: -1.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -71.168951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.168951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.168951 (E_RNA)
where:
Base-Base interactions energy: -28.382
where: short stacking energy: -15.536
Base-Backbone interact. energy: -0.045
local terms energy: -42.741800
where:
bonds (distance) C4'-P energy: -14.004
bonds (distance) P-C4' energy: -11.788
flat angles C4'-P-C4' energy: -9.952
flat angles P-C4'-P energy: -6.447
tors. eta vs tors. theta energy: -0.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -72.619976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.619976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.619976 (E_RNA)
where:
Base-Base interactions energy: -27.811
where: short stacking energy: -19.716
Base-Backbone interact. energy: -0.165
local terms energy: -44.643876
where:
bonds (distance) C4'-P energy: -11.507
bonds (distance) P-C4' energy: -13.141
flat angles C4'-P-C4' energy: -10.301
flat angles P-C4'-P energy: -5.721
tors. eta vs tors. theta energy: -3.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -64.625591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.625591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.625591 (E_RNA)
where:
Base-Base interactions energy: -25.293
where: short stacking energy: -13.643
Base-Backbone interact. energy: -0.021
local terms energy: -39.311844
where:
bonds (distance) C4'-P energy: -10.895
bonds (distance) P-C4' energy: -13.040
flat angles C4'-P-C4' energy: -10.391
flat angles P-C4'-P energy: -5.576
tors. eta vs tors. theta energy: 0.590
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: 8
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -60.839916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.839916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.839916 (E_RNA)
where:
Base-Base interactions energy: -24.385
where: short stacking energy: -11.184
Base-Backbone interact. energy: -1.182
local terms energy: -35.273011
where:
bonds (distance) C4'-P energy: -7.066
bonds (distance) P-C4' energy: -11.429
flat angles C4'-P-C4' energy: -13.109
flat angles P-C4'-P energy: -3.939
tors. eta vs tors. theta energy: 0.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -63.314311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.314311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.314311 (E_RNA)
where:
Base-Base interactions energy: -18.287
where: short stacking energy: -16.342
Base-Backbone interact. energy: -0.139
local terms energy: -44.887998
where:
bonds (distance) C4'-P energy: -14.111
bonds (distance) P-C4' energy: -9.531
flat angles C4'-P-C4' energy: -10.559
flat angles P-C4'-P energy: -7.954
tors. eta vs tors. theta energy: -2.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -177.754418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.754418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.754418 (E_RNA)
where:
Base-Base interactions energy: -113.279
where: short stacking energy: -45.121
Base-Backbone interact. energy: -0.011
local terms energy: -64.465174
where:
bonds (distance) C4'-P energy: -11.119
bonds (distance) P-C4' energy: -12.820
flat angles C4'-P-C4' energy: -11.847
flat angles P-C4'-P energy: -11.738
tors. eta vs tors. theta energy: -16.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -166.098209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.098209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.098209 (E_RNA)
where:
Base-Base interactions energy: -117.019
where: short stacking energy: -23.658
Base-Backbone interact. energy: -0.174
local terms energy: -48.905413
where:
bonds (distance) C4'-P energy: -9.856
bonds (distance) P-C4' energy: -11.527
flat angles C4'-P-C4' energy: -13.006
flat angles P-C4'-P energy: -4.809
tors. eta vs tors. theta energy: -9.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -176.409406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.409406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.409406 (E_RNA)
where:
Base-Base interactions energy: -113.093
where: short stacking energy: -40.547
Base-Backbone interact. energy: -0.041
local terms energy: -63.275715
where:
bonds (distance) C4'-P energy: -14.265
bonds (distance) P-C4' energy: -12.792
flat angles C4'-P-C4' energy: -11.776
flat angles P-C4'-P energy: -6.929
tors. eta vs tors. theta energy: -17.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -172.714833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.714833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.714833 (E_RNA)
where:
Base-Base interactions energy: -116.542
where: short stacking energy: -45.100
Base-Backbone interact. energy: -0.002
local terms energy: -56.170928
where:
bonds (distance) C4'-P energy: -11.275
bonds (distance) P-C4' energy: -9.838
flat angles C4'-P-C4' energy: -9.067
flat angles P-C4'-P energy: -9.588
tors. eta vs tors. theta energy: -16.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -77.246635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.246635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.246635 (E_RNA)
where:
Base-Base interactions energy: -33.365
where: short stacking energy: -16.076
Base-Backbone interact. energy: -0.092
local terms energy: -43.789528
where:
bonds (distance) C4'-P energy: -13.541
bonds (distance) P-C4' energy: -10.384
flat angles C4'-P-C4' energy: -13.723
flat angles P-C4'-P energy: -5.461
tors. eta vs tors. theta energy: -0.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -74.233362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.233362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.233362 (E_RNA)
where:
Base-Base interactions energy: -34.752
where: short stacking energy: -20.079
Base-Backbone interact. energy: -0.221
local terms energy: -39.259730
where:
bonds (distance) C4'-P energy: -11.500
bonds (distance) P-C4' energy: -11.698
flat angles C4'-P-C4' energy: -6.602
flat angles P-C4'-P energy: -9.202
tors. eta vs tors. theta energy: -0.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -72.270169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.270169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.270169 (E_RNA)
where:
Base-Base interactions energy: -25.093
where: short stacking energy: -12.705
Base-Backbone interact. energy: -1.295
local terms energy: -45.882235
where:
bonds (distance) C4'-P energy: -9.599
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -9.295
flat angles P-C4'-P energy: -7.465
tors. eta vs tors. theta energy: -4.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -60.237589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.237589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.237589 (E_RNA)
where:
Base-Base interactions energy: -25.224
where: short stacking energy: -10.698
Base-Backbone interact. energy: -0.204
local terms energy: -34.809871
where:
bonds (distance) C4'-P energy: -7.466
bonds (distance) P-C4' energy: -11.911
flat angles C4'-P-C4' energy: -12.552
flat angles P-C4'-P energy: -5.623
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: 9
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -71.612904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.612904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.612904 (E_RNA)
where:
Base-Base interactions energy: -31.000
where: short stacking energy: -9.578
Base-Backbone interact. energy: -1.236
local terms energy: -39.376356
where:
bonds (distance) C4'-P energy: -14.240
bonds (distance) P-C4' energy: -11.365
flat angles C4'-P-C4' energy: -7.123
flat angles P-C4'-P energy: -6.192
tors. eta vs tors. theta energy: -0.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -62.895310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.895310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.895310 (E_RNA)
where:
Base-Base interactions energy: -20.588
where: short stacking energy: -15.113
Base-Backbone interact. energy: -0.113
local terms energy: -42.195042
where:
bonds (distance) C4'-P energy: -6.498
bonds (distance) P-C4' energy: -12.045
flat angles C4'-P-C4' energy: -13.235
flat angles P-C4'-P energy: -6.644
tors. eta vs tors. theta energy: -3.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -185.334729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.334729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.334729 (E_RNA)
where:
Base-Base interactions energy: -119.533
where: short stacking energy: -48.744
Base-Backbone interact. energy: 0.329
local terms energy: -66.129867
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -15.820
flat angles C4'-P-C4' energy: -13.909
flat angles P-C4'-P energy: -7.793
tors. eta vs tors. theta energy: -15.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -178.881325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.881325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.881325 (E_RNA)
where:
Base-Base interactions energy: -116.961
where: short stacking energy: -44.770
Base-Backbone interact. energy: -0.065
local terms energy: -61.855638
where:
bonds (distance) C4'-P energy: -13.814
bonds (distance) P-C4' energy: -13.641
flat angles C4'-P-C4' energy: -11.920
flat angles P-C4'-P energy: -6.350
tors. eta vs tors. theta energy: -16.130
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: 3, replica: 2
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -155.455631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.455631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.455631 (E_RNA)
where:
Base-Base interactions energy: -99.505
where: short stacking energy: -26.869
Base-Backbone interact. energy: -0.307
local terms energy: -55.642989
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -13.343
flat angles C4'-P-C4' energy: -7.837
flat angles P-C4'-P energy: -10.603
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: 47
Temperature: 1.050000
Total energy: -168.664169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.664169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.664169 (E_RNA)
where:
Base-Base interactions energy: -111.440
where: short stacking energy: -41.414
Base-Backbone interact. energy: -0.099
local terms energy: -57.124982
where:
bonds (distance) C4'-P energy: -8.694
bonds (distance) P-C4' energy: -13.800
flat angles C4'-P-C4' energy: -12.791
flat angles P-C4'-P energy: -5.340
tors. eta vs tors. theta energy: -16.500
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: 10
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -72.292636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.292636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.292636 (E_RNA)
where:
Base-Base interactions energy: -32.603
where: short stacking energy: -15.598
Base-Backbone interact. energy: 0.023
local terms energy: -39.712830
where:
bonds (distance) C4'-P energy: -11.765
bonds (distance) P-C4' energy: -10.115
flat angles C4'-P-C4' energy: -11.452
flat angles P-C4'-P energy: -7.958
tors. eta vs tors. theta energy: 1.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -79.037187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.037187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.037187 (E_RNA)
where:
Base-Base interactions energy: -42.414
where: short stacking energy: -11.455
Base-Backbone interact. energy: -0.805
local terms energy: -35.818661
where:
bonds (distance) C4'-P energy: -12.145
bonds (distance) P-C4' energy: -10.297
flat angles C4'-P-C4' energy: -10.713
flat angles P-C4'-P energy: -4.838
tors. eta vs tors. theta energy: 2.174
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: 47
Temperature: 1.200000
Total energy: -90.058072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.058072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.058072 (E_RNA)
where:
Base-Base interactions energy: -47.125
where: short stacking energy: -18.889
Base-Backbone interact. energy: -0.453
local terms energy: -42.480857
where:
bonds (distance) C4'-P energy: -9.786
bonds (distance) P-C4' energy: -14.100
flat angles C4'-P-C4' energy: -11.056
flat angles P-C4'-P energy: -4.799
tors. eta vs tors. theta energy: -2.740
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: 9
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -74.448062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.448062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.448062 (E_RNA)
where:
Base-Base interactions energy: -27.674
where: short stacking energy: -16.579
Base-Backbone interact. energy: -0.128
local terms energy: -46.646284
where:
bonds (distance) C4'-P energy: -12.920
bonds (distance) P-C4' energy: -11.796
flat angles C4'-P-C4' energy: -9.499
flat angles P-C4'-P energy: -9.720
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: 9, replica: 5
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -64.632274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.632274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.632274 (E_RNA)
where:
Base-Base interactions energy: -16.912
where: short stacking energy: -11.923
Base-Backbone interact. energy: -0.159
local terms energy: -47.562039
where:
bonds (distance) C4'-P energy: -10.858
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -10.528
flat angles P-C4'-P energy: -9.968
tors. eta vs tors. theta energy: -1.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -65.391214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.391214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.391214 (E_RNA)
where:
Base-Base interactions energy: -22.646
where: short stacking energy: -19.535
Base-Backbone interact. energy: -0.091
local terms energy: -42.653955
where:
bonds (distance) C4'-P energy: -14.456
bonds (distance) P-C4' energy: -9.233
flat angles C4'-P-C4' energy: -9.932
flat angles P-C4'-P energy: -7.946
tors. eta vs tors. theta energy: -1.088
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: 3
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -182.178026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.178026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.178026 (E_RNA)
where:
Base-Base interactions energy: -114.195
where: short stacking energy: -44.636
Base-Backbone interact. energy: -0.127
local terms energy: -67.855696
where:
bonds (distance) C4'-P energy: -11.881
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -12.632
flat angles P-C4'-P energy: -9.632
tors. eta vs tors. theta energy: -18.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -182.586061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.586061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.586061 (E_RNA)
where:
Base-Base interactions energy: -116.971
where: short stacking energy: -48.898
Base-Backbone interact. energy: -0.638
local terms energy: -64.976790
where:
bonds (distance) C4'-P energy: -12.270
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -13.982
flat angles P-C4'-P energy: -7.139
tors. eta vs tors. theta energy: -18.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -182.138432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.138432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.138432 (E_RNA)
where:
Base-Base interactions energy: -118.794
where: short stacking energy: -47.047
Base-Backbone interact. energy: -0.054
local terms energy: -63.290476
where:
bonds (distance) C4'-P energy: -14.927
bonds (distance) P-C4' energy: -12.419
flat angles C4'-P-C4' energy: -11.566
flat angles P-C4'-P energy: -8.300
tors. eta vs tors. theta energy: -16.078
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: 2
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -162.429147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.429147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.429147 (E_RNA)
where:
Base-Base interactions energy: -111.949
where: short stacking energy: -29.771
Base-Backbone interact. energy: -0.508
local terms energy: -49.972012
where:
bonds (distance) C4'-P energy: -10.717
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -9.660
flat angles P-C4'-P energy: -9.606
tors. eta vs tors. theta energy: -6.516
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: 10
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -74.188307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.188307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.188307 (E_RNA)
where:
Base-Base interactions energy: -33.441
where: short stacking energy: -13.256
Base-Backbone interact. energy: -0.337
local terms energy: -40.410580
where:
bonds (distance) C4'-P energy: -13.119
bonds (distance) P-C4' energy: -11.033
flat angles C4'-P-C4' energy: -9.928
flat angles P-C4'-P energy: -2.668
tors. eta vs tors. theta energy: -3.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -64.941414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.941414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.941414 (E_RNA)
where:
Base-Base interactions energy: -24.138
where: short stacking energy: -14.784
Base-Backbone interact. energy: -0.185
local terms energy: -40.618373
where:
bonds (distance) C4'-P energy: -11.922
bonds (distance) P-C4' energy: -12.889
flat angles C4'-P-C4' energy: -3.380
flat angles P-C4'-P energy: -6.522
tors. eta vs tors. theta energy: -5.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -82.063149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.063149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.063149 (E_RNA)
where:
Base-Base interactions energy: -38.196
where: short stacking energy: -16.455
Base-Backbone interact. energy: -0.455
local terms energy: -43.412262
where:
bonds (distance) C4'-P energy: -13.334
bonds (distance) P-C4' energy: -12.874
flat angles C4'-P-C4' energy: -7.649
flat angles P-C4'-P energy: -10.014
tors. eta vs tors. theta energy: 0.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -62.281552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.281552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.281552 (E_RNA)
where:
Base-Base interactions energy: -20.782
where: short stacking energy: -9.828
Base-Backbone interact. energy: -0.086
local terms energy: -41.413470
where:
bonds (distance) C4'-P energy: -12.145
bonds (distance) P-C4' energy: -14.224
flat angles C4'-P-C4' energy: -8.005
flat angles P-C4'-P energy: -7.360
tors. eta vs tors. theta energy: 0.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -66.471981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.471981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.471981 (E_RNA)
where:
Base-Base interactions energy: -38.157
where: short stacking energy: -17.357
Base-Backbone interact. energy: 1.415
local terms energy: -29.730116
where:
bonds (distance) C4'-P energy: -9.438
bonds (distance) P-C4' energy: -9.105
flat angles C4'-P-C4' energy: -8.013
flat angles P-C4'-P energy: -3.485
tors. eta vs tors. theta energy: 0.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -52.838299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.838299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.838299 (E_RNA)
where:
Base-Base interactions energy: -11.192
where: short stacking energy: -9.018
Base-Backbone interact. energy: 0.264
local terms energy: -41.910557
where:
bonds (distance) C4'-P energy: -10.865
bonds (distance) P-C4' energy: -14.099
flat angles C4'-P-C4' energy: -12.332
flat angles P-C4'-P energy: -4.563
tors. eta vs tors. theta energy: -0.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -182.048392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.048392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.048392 (E_RNA)
where:
Base-Base interactions energy: -122.837
where: short stacking energy: -50.250
Base-Backbone interact. energy: -0.013
local terms energy: -59.198523
where:
bonds (distance) C4'-P energy: -9.807
bonds (distance) P-C4' energy: -10.307
flat angles C4'-P-C4' energy: -12.806
flat angles P-C4'-P energy: -7.812
tors. eta vs tors. theta energy: -18.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -179.462204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.462204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.462204 (E_RNA)
where:
Base-Base interactions energy: -119.014
where: short stacking energy: -43.062
Base-Backbone interact. energy: -0.058
local terms energy: -60.390270
where:
bonds (distance) C4'-P energy: -12.949
bonds (distance) P-C4' energy: -11.118
flat angles C4'-P-C4' energy: -11.598
flat angles P-C4'-P energy: -10.259
tors. eta vs tors. theta energy: -14.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -177.447786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.447786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.447786 (E_RNA)
where:
Base-Base interactions energy: -121.376
where: short stacking energy: -46.506
Base-Backbone interact. energy: 0.520
local terms energy: -56.592337
where:
bonds (distance) C4'-P energy: -8.902
bonds (distance) P-C4' energy: -10.361
flat angles C4'-P-C4' energy: -10.154
flat angles P-C4'-P energy: -10.605
tors. eta vs tors. theta energy: -16.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -162.175367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.175367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.175367 (E_RNA)
where:
Base-Base interactions energy: -114.967
where: short stacking energy: -26.183
Base-Backbone interact. energy: -0.722
local terms energy: -46.485761
where:
bonds (distance) C4'-P energy: -12.857
bonds (distance) P-C4' energy: -9.767
flat angles C4'-P-C4' energy: -9.074
flat angles P-C4'-P energy: -8.602
tors. eta vs tors. theta energy: -6.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -85.811445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.811445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.811445 (E_RNA)
where:
Base-Base interactions energy: -39.041
where: short stacking energy: -16.546
Base-Backbone interact. energy: -0.013
local terms energy: -46.757651
where:
bonds (distance) C4'-P energy: -12.477
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -9.597
flat angles P-C4'-P energy: -5.440
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -75.308200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.308200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.308200 (E_RNA)
where:
Base-Base interactions energy: -23.596
where: short stacking energy: -21.287
Base-Backbone interact. energy: -0.000
local terms energy: -51.711425
where:
bonds (distance) C4'-P energy: -12.113
bonds (distance) P-C4' energy: -11.435
flat angles C4'-P-C4' energy: -12.193
flat angles P-C4'-P energy: -9.890
tors. eta vs tors. theta energy: -6.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -69.324052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.324052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.324052 (E_RNA)
where:
Base-Base interactions energy: -35.238
where: short stacking energy: -5.640
Base-Backbone interact. energy: -0.189
local terms energy: -33.896951
where:
bonds (distance) C4'-P energy: -8.933
bonds (distance) P-C4' energy: -13.432
flat angles C4'-P-C4' energy: -12.030
flat angles P-C4'-P energy: -3.949
tors. eta vs tors. theta energy: 4.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -75.633530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.633530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.633530 (E_RNA)
where:
Base-Base interactions energy: -41.327
where: short stacking energy: -12.184
Base-Backbone interact. energy: 0.267
local terms energy: -34.573316
where:
bonds (distance) C4'-P energy: -7.298
bonds (distance) P-C4' energy: -11.187
flat angles C4'-P-C4' energy: -10.557
flat angles P-C4'-P energy: -4.129
tors. eta vs tors. theta energy: -1.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -67.769121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.769121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.769121 (E_RNA)
where:
Base-Base interactions energy: -29.777
where: short stacking energy: -13.377
Base-Backbone interact. energy: -0.137
local terms energy: -37.855173
where:
bonds (distance) C4'-P energy: -6.660
bonds (distance) P-C4' energy: -9.749
flat angles C4'-P-C4' energy: -11.649
flat angles P-C4'-P energy: -10.971
tors. eta vs tors. theta energy: 1.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -70.360574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.360574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.360574 (E_RNA)
where:
Base-Base interactions energy: -29.677
where: short stacking energy: -22.900
Base-Backbone interact. energy: -0.101
local terms energy: -40.582294
where:
bonds (distance) C4'-P energy: -11.226
bonds (distance) P-C4' energy: -8.649
flat angles C4'-P-C4' energy: -10.871
flat angles P-C4'-P energy: -7.413
tors. eta vs tors. theta energy: -2.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -178.983231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.983231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.983231 (E_RNA)
where:
Base-Base interactions energy: -116.032
where: short stacking energy: -47.297
Base-Backbone interact. energy: -0.867
local terms energy: -62.083318
where:
bonds (distance) C4'-P energy: -11.478
bonds (distance) P-C4' energy: -10.228
flat angles C4'-P-C4' energy: -13.550
flat angles P-C4'-P energy: -9.391
tors. eta vs tors. theta energy: -17.436
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: 2, replica: 3
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -183.243762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.243762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.243762 (E_RNA)
where:
Base-Base interactions energy: -121.702
where: short stacking energy: -34.526
Base-Backbone interact. energy: -0.325
local terms energy: -61.216021
where:
bonds (distance) C4'-P energy: -12.299
bonds (distance) P-C4' energy: -13.887
flat angles C4'-P-C4' energy: -11.341
flat angles P-C4'-P energy: -10.052
tors. eta vs tors. theta energy: -13.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -174.889984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.889984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.889984 (E_RNA)
where:
Base-Base interactions energy: -113.775
where: short stacking energy: -38.539
Base-Backbone interact. energy: -0.099
local terms energy: -61.016279
where:
bonds (distance) C4'-P energy: -14.120
bonds (distance) P-C4' energy: -12.236
flat angles C4'-P-C4' energy: -12.126
flat angles P-C4'-P energy: -7.858
tors. eta vs tors. theta energy: -14.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -158.121915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.121915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.121915 (E_RNA)
where:
Base-Base interactions energy: -111.881
where: short stacking energy: -28.606
Base-Backbone interact. energy: -0.315
local terms energy: -45.926036
where:
bonds (distance) C4'-P energy: -11.367
bonds (distance) P-C4' energy: -7.063
flat angles C4'-P-C4' energy: -13.832
flat angles P-C4'-P energy: -7.850
tors. eta vs tors. theta energy: -5.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -69.276478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.276478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.276478 (E_RNA)
where:
Base-Base interactions energy: -33.730
where: short stacking energy: -21.569
Base-Backbone interact. energy: -0.015
local terms energy: -35.531307
where:
bonds (distance) C4'-P energy: -12.924
bonds (distance) P-C4' energy: -11.503
flat angles C4'-P-C4' energy: -7.146
flat angles P-C4'-P energy: -1.578
tors. eta vs tors. theta energy: -2.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -83.210650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.210650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.210650 (E_RNA)
where:
Base-Base interactions energy: -37.520
where: short stacking energy: -23.381
Base-Backbone interact. energy: -0.065
local terms energy: -45.625118
where:
bonds (distance) C4'-P energy: -10.681
bonds (distance) P-C4' energy: -12.288
flat angles C4'-P-C4' energy: -10.121
flat angles P-C4'-P energy: -7.220
tors. eta vs tors. theta energy: -5.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -66.919094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.919094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.919094 (E_RNA)
where:
Base-Base interactions energy: -27.002
where: short stacking energy: -22.130
Base-Backbone interact. energy: -0.022
local terms energy: -39.894964
where:
bonds (distance) C4'-P energy: -10.585
bonds (distance) P-C4' energy: -10.892
flat angles C4'-P-C4' energy: -9.022
flat angles P-C4'-P energy: -5.391
tors. eta vs tors. theta energy: -4.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -62.504396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.504396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.504396 (E_RNA)
where:
Base-Base interactions energy: -22.523
where: short stacking energy: -20.059
Base-Backbone interact. energy: 0.787
local terms energy: -40.768189
where:
bonds (distance) C4'-P energy: -5.956
bonds (distance) P-C4' energy: -9.684
flat angles C4'-P-C4' energy: -11.971
flat angles P-C4'-P energy: -6.339
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: 5
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -65.124041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.124041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.124041 (E_RNA)
where:
Base-Base interactions energy: -26.571
where: short stacking energy: -17.257
Base-Backbone interact. energy: -0.101
local terms energy: -38.452252
where:
bonds (distance) C4'-P energy: -8.427
bonds (distance) P-C4' energy: -10.080
flat angles C4'-P-C4' energy: -12.519
flat angles P-C4'-P energy: -5.517
tors. eta vs tors. theta energy: -1.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -62.270319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.270319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.270319 (E_RNA)
where:
Base-Base interactions energy: -23.923
where: short stacking energy: -17.635
Base-Backbone interact. energy: -0.330
local terms energy: -38.017283
where:
bonds (distance) C4'-P energy: -7.140
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -8.418
flat angles P-C4'-P energy: -6.656
tors. eta vs tors. theta energy: -2.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -180.766528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.766528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.766528 (E_RNA)
where:
Base-Base interactions energy: -118.391
where: short stacking energy: -47.750
Base-Backbone interact. energy: -0.014
local terms energy: -62.361795
where:
bonds (distance) C4'-P energy: -11.175
bonds (distance) P-C4' energy: -11.673
flat angles C4'-P-C4' energy: -11.322
flat angles P-C4'-P energy: -11.815
tors. eta vs tors. theta energy: -16.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -177.315366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.315366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.315366 (E_RNA)
where:
Base-Base interactions energy: -116.063
where: short stacking energy: -49.815
Base-Backbone interact. energy: -0.012
local terms energy: -61.241130
where:
bonds (distance) C4'-P energy: -11.689
bonds (distance) P-C4' energy: -11.031
flat angles C4'-P-C4' energy: -11.878
flat angles P-C4'-P energy: -10.329
tors. eta vs tors. theta energy: -16.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -177.163818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.163818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.163818 (E_RNA)
where:
Base-Base interactions energy: -115.939
where: short stacking energy: -50.925
Base-Backbone interact. energy: -0.008
local terms energy: -61.216101
where:
bonds (distance) C4'-P energy: -11.462
bonds (distance) P-C4' energy: -10.471
flat angles C4'-P-C4' energy: -13.972
flat angles P-C4'-P energy: -8.692
tors. eta vs tors. theta energy: -16.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -148.409228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.409228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.409228 (E_RNA)
where:
Base-Base interactions energy: -102.416
where: short stacking energy: -24.643
Base-Backbone interact. energy: -0.216
local terms energy: -45.777711
where:
bonds (distance) C4'-P energy: -7.431
bonds (distance) P-C4' energy: -12.678
flat angles C4'-P-C4' energy: -14.457
flat angles P-C4'-P energy: -4.122
tors. eta vs tors. theta energy: -7.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -79.432149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.432149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.432149 (E_RNA)
where:
Base-Base interactions energy: -38.111
where: short stacking energy: -17.561
Base-Backbone interact. energy: -0.036
local terms energy: -41.285163
where:
bonds (distance) C4'-P energy: -8.357
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -10.359
flat angles P-C4'-P energy: -6.211
tors. eta vs tors. theta energy: -1.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -67.787104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.787104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.787104 (E_RNA)
where:
Base-Base interactions energy: -26.681
where: short stacking energy: -9.861
Base-Backbone interact. energy: -0.210
local terms energy: -40.896921
where:
bonds (distance) C4'-P energy: -12.245
bonds (distance) P-C4' energy: -13.662
flat angles C4'-P-C4' energy: -5.047
flat angles P-C4'-P energy: -7.285
tors. eta vs tors. theta energy: -2.658
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: 10
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -64.494754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.494754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.494754 (E_RNA)
where:
Base-Base interactions energy: -24.649
where: short stacking energy: -24.649
Base-Backbone interact. energy: -0.023
local terms energy: -39.822324
where:
bonds (distance) C4'-P energy: -9.769
bonds (distance) P-C4' energy: -9.293
flat angles C4'-P-C4' energy: -5.154
flat angles P-C4'-P energy: -8.163
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: 8, replica: 5
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -58.262736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.262736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.262736 (E_RNA)
where:
Base-Base interactions energy: -16.061
where: short stacking energy: -13.504
Base-Backbone interact. energy: -0.555
local terms energy: -41.646958
where:
bonds (distance) C4'-P energy: -8.531
bonds (distance) P-C4' energy: -11.257
flat angles C4'-P-C4' energy: -13.637
flat angles P-C4'-P energy: -8.484
tors. eta vs tors. theta energy: 0.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -64.446466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.446466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.446466 (E_RNA)
where:
Base-Base interactions energy: -24.484
where: short stacking energy: -15.310
Base-Backbone interact. energy: -0.171
local terms energy: -39.791503
where:
bonds (distance) C4'-P energy: -10.077
bonds (distance) P-C4' energy: -13.825
flat angles C4'-P-C4' energy: -6.406
flat angles P-C4'-P energy: -11.448
tors. eta vs tors. theta energy: 1.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -59.605699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.605699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.605699 (E_RNA)
where:
Base-Base interactions energy: -26.372
where: short stacking energy: -9.115
Base-Backbone interact. energy: 0.165
local terms energy: -33.398168
where:
bonds (distance) C4'-P energy: -9.831
bonds (distance) P-C4' energy: -13.745
flat angles C4'-P-C4' energy: -10.841
flat angles P-C4'-P energy: -4.347
tors. eta vs tors. theta energy: 5.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -177.263852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.263852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.263852 (E_RNA)
where:
Base-Base interactions energy: -112.936
where: short stacking energy: -41.366
Base-Backbone interact. energy: -0.042
local terms energy: -64.285736
where:
bonds (distance) C4'-P energy: -11.710
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -13.354
flat angles P-C4'-P energy: -10.346
tors. eta vs tors. theta energy: -14.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -173.496113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.496113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.496113 (E_RNA)
where:
Base-Base interactions energy: -111.841
where: short stacking energy: -41.489
Base-Backbone interact. energy: -0.725
local terms energy: -60.930175
where:
bonds (distance) C4'-P energy: -10.254
bonds (distance) P-C4' energy: -13.410
flat angles C4'-P-C4' energy: -11.697
flat angles P-C4'-P energy: -7.573
tors. eta vs tors. theta energy: -17.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -176.712059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.712059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.712059 (E_RNA)
where:
Base-Base interactions energy: -112.306
where: short stacking energy: -46.871
Base-Backbone interact. energy: -0.812
local terms energy: -63.593594
where:
bonds (distance) C4'-P energy: -12.013
bonds (distance) P-C4' energy: -12.870
flat angles C4'-P-C4' energy: -12.087
flat angles P-C4'-P energy: -8.643
tors. eta vs tors. theta energy: -17.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -159.001111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.001111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.001111 (E_RNA)
where:
Base-Base interactions energy: -111.957
where: short stacking energy: -24.965
Base-Backbone interact. energy: -0.125
local terms energy: -46.919055
where:
bonds (distance) C4'-P energy: -10.942
bonds (distance) P-C4' energy: -13.944
flat angles C4'-P-C4' energy: -10.809
flat angles P-C4'-P energy: -4.219
tors. eta vs tors. theta energy: -7.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -72.670510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.670510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.670510 (E_RNA)
where:
Base-Base interactions energy: -36.038
where: short stacking energy: -14.102
Base-Backbone interact. energy: -0.040
local terms energy: -36.591921
where:
bonds (distance) C4'-P energy: -8.781
bonds (distance) P-C4' energy: -12.175
flat angles C4'-P-C4' energy: -13.853
flat angles P-C4'-P energy: -2.579
tors. eta vs tors. theta energy: 0.796
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: 6, replica: 6
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -89.497935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.497935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.497935 (E_RNA)
where:
Base-Base interactions energy: -36.404
where: short stacking energy: -23.389
Base-Backbone interact. energy: -0.513
local terms energy: -52.580691
where:
bonds (distance) C4'-P energy: -12.725
bonds (distance) P-C4' energy: -12.631
flat angles C4'-P-C4' energy: -14.394
flat angles P-C4'-P energy: -6.833
tors. eta vs tors. theta energy: -5.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -67.167153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.167153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.167153 (E_RNA)
where:
Base-Base interactions energy: -23.483
where: short stacking energy: -23.336
Base-Backbone interact. energy: -0.090
local terms energy: -43.594603
where:
bonds (distance) C4'-P energy: -12.937
bonds (distance) P-C4' energy: -12.652
flat angles C4'-P-C4' energy: -10.524
flat angles P-C4'-P energy: -7.279
tors. eta vs tors. theta energy: -0.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -69.549217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.549217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.549217 (E_RNA)
where:
Base-Base interactions energy: -31.364
where: short stacking energy: -21.654
Base-Backbone interact. energy: -0.125
local terms energy: -38.060204
where:
bonds (distance) C4'-P energy: -7.049
bonds (distance) P-C4' energy: -12.063
flat angles C4'-P-C4' energy: -7.067
flat angles P-C4'-P energy: -7.054
tors. eta vs tors. theta energy: -4.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -64.476576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.476576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.476576 (E_RNA)
where:
Base-Base interactions energy: -19.232
where: short stacking energy: -19.232
Base-Backbone interact. energy: -0.154
local terms energy: -45.090050
where:
bonds (distance) C4'-P energy: -8.345
bonds (distance) P-C4' energy: -11.497
flat angles C4'-P-C4' energy: -11.406
flat angles P-C4'-P energy: -8.822
tors. eta vs tors. theta energy: -5.021
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: 10, replica: 4
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -61.097563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.097563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.097563 (E_RNA)
where:
Base-Base interactions energy: -29.544
where: short stacking energy: -11.888
Base-Backbone interact. energy: -0.152
local terms energy: -31.401206
where:
bonds (distance) C4'-P energy: -6.692
bonds (distance) P-C4' energy: -14.586
flat angles C4'-P-C4' energy: -11.715
flat angles P-C4'-P energy: -4.643
tors. eta vs tors. theta energy: 6.235
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: 1
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -182.841606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.841606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.841606 (E_RNA)
where:
Base-Base interactions energy: -121.855
where: short stacking energy: -45.976
Base-Backbone interact. energy: 0.863
local terms energy: -61.849090
where:
bonds (distance) C4'-P energy: -12.381
bonds (distance) P-C4' energy: -11.822
flat angles C4'-P-C4' energy: -11.525
flat angles P-C4'-P energy: -9.764
tors. eta vs tors. theta energy: -16.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -175.159948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.159948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.159948 (E_RNA)
where:
Base-Base interactions energy: -108.631
where: short stacking energy: -42.975
Base-Backbone interact. energy: 0.106
local terms energy: -66.635477
where:
bonds (distance) C4'-P energy: -11.292
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -14.463
flat angles P-C4'-P energy: -10.729
tors. eta vs tors. theta energy: -15.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -184.547709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.547709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.547709 (E_RNA)
where:
Base-Base interactions energy: -118.713
where: short stacking energy: -47.771
Base-Backbone interact. energy: -0.016
local terms energy: -65.818521
where:
bonds (distance) C4'-P energy: -10.626
bonds (distance) P-C4' energy: -12.767
flat angles C4'-P-C4' energy: -13.435
flat angles P-C4'-P energy: -10.143
tors. eta vs tors. theta energy: -18.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -153.671975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.671975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.671975 (E_RNA)
where:
Base-Base interactions energy: -103.458
where: short stacking energy: -21.978
Base-Backbone interact. energy: -0.423
local terms energy: -49.790878
where:
bonds (distance) C4'-P energy: -12.874
bonds (distance) P-C4' energy: -10.394
flat angles C4'-P-C4' energy: -10.955
flat angles P-C4'-P energy: -10.552
tors. eta vs tors. theta energy: -5.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -80.521164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.521164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.521164 (E_RNA)
where:
Base-Base interactions energy: -35.924
where: short stacking energy: -23.370
Base-Backbone interact. energy: -0.096
local terms energy: -44.501661
where:
bonds (distance) C4'-P energy: -10.406
bonds (distance) P-C4' energy: -14.138
flat angles C4'-P-C4' energy: -9.698
flat angles P-C4'-P energy: -6.698
tors. eta vs tors. theta energy: -3.562
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: 6, replica: 10
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -84.770179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.770179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.770179 (E_RNA)
where:
Base-Base interactions energy: -33.721
where: short stacking energy: -16.428
Base-Backbone interact. energy: -0.094
local terms energy: -50.955434
where:
bonds (distance) C4'-P energy: -13.185
bonds (distance) P-C4' energy: -12.141
flat angles C4'-P-C4' energy: -9.886
flat angles P-C4'-P energy: -11.247
tors. eta vs tors. theta energy: -4.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -70.384926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.384926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.384926 (E_RNA)
where:
Base-Base interactions energy: -25.022
where: short stacking energy: -15.361
Base-Backbone interact. energy: -1.182
local terms energy: -44.180576
where:
bonds (distance) C4'-P energy: -11.714
bonds (distance) P-C4' energy: -11.033
flat angles C4'-P-C4' energy: -9.529
flat angles P-C4'-P energy: -8.243
tors. eta vs tors. theta energy: -3.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -67.285084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.285084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.285084 (E_RNA)
where:
Base-Base interactions energy: -21.723
where: short stacking energy: -14.940
Base-Backbone interact. energy: -0.604
local terms energy: -44.958677
where:
bonds (distance) C4'-P energy: -13.206
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -10.007
flat angles P-C4'-P energy: -6.345
tors. eta vs tors. theta energy: -1.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -62.324670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.324670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.324670 (E_RNA)
where:
Base-Base interactions energy: -15.751
where: short stacking energy: -14.937
Base-Backbone interact. energy: -0.086
local terms energy: -46.487522
where:
bonds (distance) C4'-P energy: -11.753
bonds (distance) P-C4' energy: -12.323
flat angles C4'-P-C4' energy: -10.110
flat angles P-C4'-P energy: -8.636
tors. eta vs tors. theta energy: -3.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -76.006449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.006449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.006449 (E_RNA)
where:
Base-Base interactions energy: -36.263
where: short stacking energy: -9.239
Base-Backbone interact. energy: -0.340
local terms energy: -39.403736
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -9.097
flat angles C4'-P-C4' energy: -10.301
flat angles P-C4'-P energy: -5.504
tors. eta vs tors. theta energy: -1.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -180.971881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.971881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.971881 (E_RNA)
where:
Base-Base interactions energy: -119.032
where: short stacking energy: -47.670
Base-Backbone interact. energy: -0.012
local terms energy: -61.927923
where:
bonds (distance) C4'-P energy: -11.469
bonds (distance) P-C4' energy: -13.780
flat angles C4'-P-C4' energy: -14.573
flat angles P-C4'-P energy: -5.546
tors. eta vs tors. theta energy: -16.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -178.735827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.735827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.735827 (E_RNA)
where:
Base-Base interactions energy: -119.314
where: short stacking energy: -42.302
Base-Backbone interact. energy: -0.844
local terms energy: -58.577105
where:
bonds (distance) C4'-P energy: -8.321
bonds (distance) P-C4' energy: -12.366
flat angles C4'-P-C4' energy: -13.435
flat angles P-C4'-P energy: -8.337
tors. eta vs tors. theta energy: -16.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -170.989053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.989053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.989053 (E_RNA)
where:
Base-Base interactions energy: -114.200
where: short stacking energy: -47.529
Base-Backbone interact. energy: -0.361
local terms energy: -56.427571
where:
bonds (distance) C4'-P energy: -10.431
bonds (distance) P-C4' energy: -13.297
flat angles C4'-P-C4' energy: -13.149
flat angles P-C4'-P energy: -1.607
tors. eta vs tors. theta energy: -17.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -147.391978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.391978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.391978 (E_RNA)
where:
Base-Base interactions energy: -98.642
where: short stacking energy: -25.994
Base-Backbone interact. energy: -0.226
local terms energy: -48.524232
where:
bonds (distance) C4'-P energy: -13.434
bonds (distance) P-C4' energy: -14.142
flat angles C4'-P-C4' energy: -5.583
flat angles P-C4'-P energy: -7.873
tors. eta vs tors. theta energy: -7.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -71.714696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.714696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.714696 (E_RNA)
where:
Base-Base interactions energy: -22.542
where: short stacking energy: -22.542
Base-Backbone interact. energy: -0.004
local terms energy: -49.168768
where:
bonds (distance) C4'-P energy: -14.633
bonds (distance) P-C4' energy: -12.855
flat angles C4'-P-C4' energy: -10.755
flat angles P-C4'-P energy: -4.990
tors. eta vs tors. theta energy: -5.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -64.257535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.257535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.257535 (E_RNA)
where:
Base-Base interactions energy: -21.082
where: short stacking energy: -16.187
Base-Backbone interact. energy: -0.240
local terms energy: -42.935312
where:
bonds (distance) C4'-P energy: -10.989
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -7.576
flat angles P-C4'-P energy: -7.940
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: 7, replica: 9
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -82.402749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.402749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.402749 (E_RNA)
where:
Base-Base interactions energy: -33.875
where: short stacking energy: -25.731
Base-Backbone interact. energy: -0.128
local terms energy: -48.400333
where:
bonds (distance) C4'-P energy: -10.804
bonds (distance) P-C4' energy: -12.028
flat angles C4'-P-C4' energy: -10.680
flat angles P-C4'-P energy: -7.152
tors. eta vs tors. theta energy: -7.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -66.887790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.887790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.887790 (E_RNA)
where:
Base-Base interactions energy: -24.837
where: short stacking energy: -15.546
Base-Backbone interact. energy: -0.020
local terms energy: -42.031369
where:
bonds (distance) C4'-P energy: -12.742
bonds (distance) P-C4' energy: -15.090
flat angles C4'-P-C4' energy: -9.238
flat angles P-C4'-P energy: -6.343
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: 4
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -61.333042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.333042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.333042 (E_RNA)
where:
Base-Base interactions energy: -23.307
where: short stacking energy: -14.194
Base-Backbone interact. energy: -0.534
local terms energy: -37.492638
where:
bonds (distance) C4'-P energy: -10.026
bonds (distance) P-C4' energy: -13.312
flat angles C4'-P-C4' energy: -8.646
flat angles P-C4'-P energy: -6.330
tors. eta vs tors. theta energy: 0.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -53.045836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.045836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.045836 (E_RNA)
where:
Base-Base interactions energy: -11.007
where: short stacking energy: -9.090
Base-Backbone interact. energy: -0.194
local terms energy: -41.844115
where:
bonds (distance) C4'-P energy: -11.169
bonds (distance) P-C4' energy: -12.401
flat angles C4'-P-C4' energy: -13.490
flat angles P-C4'-P energy: -8.790
tors. eta vs tors. theta energy: 4.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -182.056492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.056492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.056492 (E_RNA)
where:
Base-Base interactions energy: -116.064
where: short stacking energy: -46.041
Base-Backbone interact. energy: -0.007
local terms energy: -65.985118
where:
bonds (distance) C4'-P energy: -13.105
bonds (distance) P-C4' energy: -13.742
flat angles C4'-P-C4' energy: -14.392
flat angles P-C4'-P energy: -8.849
tors. eta vs tors. theta energy: -15.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -175.664984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.664984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.664984 (E_RNA)
where:
Base-Base interactions energy: -111.435
where: short stacking energy: -47.117
Base-Backbone interact. energy: -0.011
local terms energy: -64.218690
where:
bonds (distance) C4'-P energy: -12.527
bonds (distance) P-C4' energy: -12.470
flat angles C4'-P-C4' energy: -11.742
flat angles P-C4'-P energy: -11.328
tors. eta vs tors. theta energy: -16.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -181.972267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.972267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.972267 (E_RNA)
where:
Base-Base interactions energy: -114.910
where: short stacking energy: -48.870
Base-Backbone interact. energy: -0.008
local terms energy: -67.053699
where:
bonds (distance) C4'-P energy: -14.625
bonds (distance) P-C4' energy: -14.551
flat angles C4'-P-C4' energy: -9.532
flat angles P-C4'-P energy: -10.628
tors. eta vs tors. theta energy: -17.718
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: 2
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -157.905250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.905250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.905250 (E_RNA)
where:
Base-Base interactions energy: -113.509
where: short stacking energy: -25.534
Base-Backbone interact. energy: -0.229
local terms energy: -44.167438
where:
bonds (distance) C4'-P energy: -13.173
bonds (distance) P-C4' energy: -10.148
flat angles C4'-P-C4' energy: -7.562
flat angles P-C4'-P energy: -7.224
tors. eta vs tors. theta energy: -6.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -84.244555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.244555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.244555 (E_RNA)
where:
Base-Base interactions energy: -42.031
where: short stacking energy: -24.526
Base-Backbone interact. energy: -0.093
local terms energy: -42.120347
where:
bonds (distance) C4'-P energy: -13.450
bonds (distance) P-C4' energy: -11.496
flat angles C4'-P-C4' energy: -5.338
flat angles P-C4'-P energy: -7.446
tors. eta vs tors. theta energy: -4.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -123.806710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.806710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.806710 (E_RNA)
where:
Base-Base interactions energy: -75.902
where: short stacking energy: -31.539
Base-Backbone interact. energy: -0.071
local terms energy: -47.833586
where:
bonds (distance) C4'-P energy: -7.045
bonds (distance) P-C4' energy: -10.176
flat angles C4'-P-C4' energy: -11.496
flat angles P-C4'-P energy: -7.191
tors. eta vs tors. theta energy: -11.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -68.847245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.847245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.847245 (E_RNA)
where:
Base-Base interactions energy: -25.683
where: short stacking energy: -17.711
Base-Backbone interact. energy: -0.150
local terms energy: -43.014784
where:
bonds (distance) C4'-P energy: -11.748
bonds (distance) P-C4' energy: -12.589
flat angles C4'-P-C4' energy: -13.033
flat angles P-C4'-P energy: -4.423
tors. eta vs tors. theta energy: -1.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -65.036778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.036778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.036778 (E_RNA)
where:
Base-Base interactions energy: -25.677
where: short stacking energy: -9.713
Base-Backbone interact. energy: -0.134
local terms energy: -39.226363
where:
bonds (distance) C4'-P energy: -13.292
bonds (distance) P-C4' energy: -13.595
flat angles C4'-P-C4' energy: -12.891
flat angles P-C4'-P energy: -0.796
tors. eta vs tors. theta energy: 1.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -61.077326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.077326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.077326 (E_RNA)
where:
Base-Base interactions energy: -23.460
where: short stacking energy: -9.857
Base-Backbone interact. energy: -0.302
local terms energy: -37.315311
where:
bonds (distance) C4'-P energy: -13.018
bonds (distance) P-C4' energy: -12.022
flat angles C4'-P-C4' energy: -13.431
flat angles P-C4'-P energy: -6.491
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: 10, replica: 5
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -63.275355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.275355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.275355 (E_RNA)
where:
Base-Base interactions energy: -22.347
where: short stacking energy: -22.147
Base-Backbone interact. energy: -0.156
local terms energy: -40.772569
where:
bonds (distance) C4'-P energy: -13.392
bonds (distance) P-C4' energy: -10.942
flat angles C4'-P-C4' energy: -10.373
flat angles P-C4'-P energy: -2.203
tors. eta vs tors. theta energy: -3.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -180.336386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.336386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.336386 (E_RNA)
where:
Base-Base interactions energy: -116.302
where: short stacking energy: -52.029
Base-Backbone interact. energy: -0.005
local terms energy: -64.029520
where:
bonds (distance) C4'-P energy: -11.437
bonds (distance) P-C4' energy: -13.430
flat angles C4'-P-C4' energy: -13.768
flat angles P-C4'-P energy: -8.115
tors. eta vs tors. theta energy: -17.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -177.105106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.105106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.105106 (E_RNA)
where:
Base-Base interactions energy: -112.326
where: short stacking energy: -44.627
Base-Backbone interact. energy: 0.193
local terms energy: -64.971759
where:
bonds (distance) C4'-P energy: -12.866
bonds (distance) P-C4' energy: -11.371
flat angles C4'-P-C4' energy: -14.484
flat angles P-C4'-P energy: -10.483
tors. eta vs tors. theta energy: -15.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -171.248674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.248674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.248674 (E_RNA)
where:
Base-Base interactions energy: -114.862
where: short stacking energy: -39.390
Base-Backbone interact. energy: -1.242
local terms energy: -55.144886
where:
bonds (distance) C4'-P energy: -8.332
bonds (distance) P-C4' energy: -9.975
flat angles C4'-P-C4' energy: -14.380
flat angles P-C4'-P energy: -9.543
tors. eta vs tors. theta energy: -12.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -162.509959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.509959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.509959 (E_RNA)
where:
Base-Base interactions energy: -113.571
where: short stacking energy: -20.412
Base-Backbone interact. energy: -0.418
local terms energy: -48.521314
where:
bonds (distance) C4'-P energy: -11.616
bonds (distance) P-C4' energy: -11.721
flat angles C4'-P-C4' energy: -11.530
flat angles P-C4'-P energy: -5.717
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: 9
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -156.153904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.153904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.153904 (E_RNA)
where:
Base-Base interactions energy: -104.788
where: short stacking energy: -34.197
Base-Backbone interact. energy: -0.025
local terms energy: -51.341436
where:
bonds (distance) C4'-P energy: -6.847
bonds (distance) P-C4' energy: -12.792
flat angles C4'-P-C4' energy: -10.239
flat angles P-C4'-P energy: -9.104
tors. eta vs tors. theta energy: -12.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -75.347528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.347528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.347528 (E_RNA)
where:
Base-Base interactions energy: -26.569
where: short stacking energy: -26.569
Base-Backbone interact. energy: -0.012
local terms energy: -48.766976
where:
bonds (distance) C4'-P energy: -12.713
bonds (distance) P-C4' energy: -11.663
flat angles C4'-P-C4' energy: -13.201
flat angles P-C4'-P energy: -6.705
tors. eta vs tors. theta energy: -4.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -80.759054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.759054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.759054 (E_RNA)
where:
Base-Base interactions energy: -44.587
where: short stacking energy: -10.955
Base-Backbone interact. energy: -0.423
local terms energy: -35.748768
where:
bonds (distance) C4'-P energy: -11.561
bonds (distance) P-C4' energy: -9.629
flat angles C4'-P-C4' energy: -9.640
flat angles P-C4'-P energy: -6.004
tors. eta vs tors. theta energy: 1.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -68.642657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.642657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.642657 (E_RNA)
where:
Base-Base interactions energy: -31.940
where: short stacking energy: -15.843
Base-Backbone interact. energy: -0.407
local terms energy: -36.295725
where:
bonds (distance) C4'-P energy: -8.711
bonds (distance) P-C4' energy: -9.163
flat angles C4'-P-C4' energy: -9.870
flat angles P-C4'-P energy: -9.067
tors. eta vs tors. theta energy: 0.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -71.050875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.050875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.050875 (E_RNA)
where:
Base-Base interactions energy: -33.862
where: short stacking energy: -11.875
Base-Backbone interact. energy: -0.072
local terms energy: -37.116689
where:
bonds (distance) C4'-P energy: -10.468
bonds (distance) P-C4' energy: -12.733
flat angles C4'-P-C4' energy: -10.134
flat angles P-C4'-P energy: -3.530
tors. eta vs tors. theta energy: -0.251
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: 56
Temperature: 1.350000
Total energy: -51.444843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.444843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.444843 (E_RNA)
where:
Base-Base interactions energy: -16.703
where: short stacking energy: -14.025
Base-Backbone interact. energy: -1.964
local terms energy: -32.777769
where:
bonds (distance) C4'-P energy: -10.585
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -10.221
flat angles P-C4'-P energy: -2.595
tors. eta vs tors. theta energy: 3.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -184.741102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.741102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.741102 (E_RNA)
where:
Base-Base interactions energy: -121.714
where: short stacking energy: -49.640
Base-Backbone interact. energy: -0.281
local terms energy: -62.745208
where:
bonds (distance) C4'-P energy: -12.473
bonds (distance) P-C4' energy: -11.467
flat angles C4'-P-C4' energy: -11.400
flat angles P-C4'-P energy: -9.388
tors. eta vs tors. theta energy: -18.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -180.756283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.756283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.756283 (E_RNA)
where:
Base-Base interactions energy: -118.738
where: short stacking energy: -40.739
Base-Backbone interact. energy: -0.092
local terms energy: -61.926046
where:
bonds (distance) C4'-P energy: -12.452
bonds (distance) P-C4' energy: -12.535
flat angles C4'-P-C4' energy: -11.775
flat angles P-C4'-P energy: -7.612
tors. eta vs tors. theta energy: -17.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -174.146230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.146230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.146230 (E_RNA)
where:
Base-Base interactions energy: -114.459
where: short stacking energy: -46.532
Base-Backbone interact. energy: -0.035
local terms energy: -59.652385
where:
bonds (distance) C4'-P energy: -12.664
bonds (distance) P-C4' energy: -10.658
flat angles C4'-P-C4' energy: -11.638
flat angles P-C4'-P energy: -8.790
tors. eta vs tors. theta energy: -15.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -163.290589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.290589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.290589 (E_RNA)
where:
Base-Base interactions energy: -105.010
where: short stacking energy: -37.090
Base-Backbone interact. energy: -0.153
local terms energy: -58.127593
where:
bonds (distance) C4'-P energy: -10.671
bonds (distance) P-C4' energy: -8.905
flat angles C4'-P-C4' energy: -15.464
flat angles P-C4'-P energy: -8.211
tors. eta vs tors. theta energy: -14.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -142.699003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.699003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.699003 (E_RNA)
where:
Base-Base interactions energy: -94.867
where: short stacking energy: -18.229
Base-Backbone interact. energy: -0.447
local terms energy: -47.385157
where:
bonds (distance) C4'-P energy: -14.116
bonds (distance) P-C4' energy: -12.128
flat angles C4'-P-C4' energy: -9.175
flat angles P-C4'-P energy: -8.627
tors. eta vs tors. theta energy: -3.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -83.447737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.447737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.447737 (E_RNA)
where:
Base-Base interactions energy: -44.887
where: short stacking energy: -21.650
Base-Backbone interact. energy: -0.179
local terms energy: -38.381363
where:
bonds (distance) C4'-P energy: -11.904
bonds (distance) P-C4' energy: -8.080
flat angles C4'-P-C4' energy: -11.650
flat angles P-C4'-P energy: -4.957
tors. eta vs tors. theta energy: -1.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -69.924791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.924791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.924791 (E_RNA)
where:
Base-Base interactions energy: -23.815
where: short stacking energy: -23.815
Base-Backbone interact. energy: -0.016
local terms energy: -46.093851
where:
bonds (distance) C4'-P energy: -11.277
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -7.784
flat angles P-C4'-P energy: -8.119
tors. eta vs tors. theta energy: -5.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -67.604997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.604997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.604997 (E_RNA)
where:
Base-Base interactions energy: -30.966
where: short stacking energy: -11.366
Base-Backbone interact. energy: -0.832
local terms energy: -35.806483
where:
bonds (distance) C4'-P energy: -13.230
bonds (distance) P-C4' energy: -14.431
flat angles C4'-P-C4' energy: -8.925
flat angles P-C4'-P energy: 0.710
tors. eta vs tors. theta energy: 0.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -69.648170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.648170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.648170 (E_RNA)
where:
Base-Base interactions energy: -25.815
where: short stacking energy: -21.696
Base-Backbone interact. energy: -0.012
local terms energy: -43.821470
where:
bonds (distance) C4'-P energy: -11.640
bonds (distance) P-C4' energy: -12.895
flat angles C4'-P-C4' energy: -6.894
flat angles P-C4'-P energy: -7.382
tors. eta vs tors. theta energy: -5.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -58.766776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.766776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.766776 (E_RNA)
where:
Base-Base interactions energy: -26.891
where: short stacking energy: -11.768
Base-Backbone interact. energy: -0.144
local terms energy: -31.731863
where:
bonds (distance) C4'-P energy: -8.764
bonds (distance) P-C4' energy: -10.827
flat angles C4'-P-C4' energy: -7.619
flat angles P-C4'-P energy: -5.805
tors. eta vs tors. theta energy: 1.283
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: 3
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -187.389051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.389051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.389051 (E_RNA)
where:
Base-Base interactions energy: -119.158
where: short stacking energy: -48.148
Base-Backbone interact. energy: -0.021
local terms energy: -68.210376
where:
bonds (distance) C4'-P energy: -13.078
bonds (distance) P-C4' energy: -12.629
flat angles C4'-P-C4' energy: -15.116
flat angles P-C4'-P energy: -10.467
tors. eta vs tors. theta energy: -16.921
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: 1
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -181.908120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.908120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.908120 (E_RNA)
where:
Base-Base interactions energy: -120.651
where: short stacking energy: -46.113
Base-Backbone interact. energy: -0.012
local terms energy: -61.245507
where:
bonds (distance) C4'-P energy: -10.183
bonds (distance) P-C4' energy: -12.930
flat angles C4'-P-C4' energy: -12.725
flat angles P-C4'-P energy: -8.761
tors. eta vs tors. theta energy: -16.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -178.650210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.650210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.650210 (E_RNA)
where:
Base-Base interactions energy: -115.546
where: short stacking energy: -45.146
Base-Backbone interact. energy: -0.007
local terms energy: -63.096754
where:
bonds (distance) C4'-P energy: -12.775
bonds (distance) P-C4' energy: -11.650
flat angles C4'-P-C4' energy: -10.887
flat angles P-C4'-P energy: -10.039
tors. eta vs tors. theta energy: -17.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -161.994016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.994016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.994016 (E_RNA)
where:
Base-Base interactions energy: -102.602
where: short stacking energy: -37.285
Base-Backbone interact. energy: -0.074
local terms energy: -59.317503
where:
bonds (distance) C4'-P energy: -12.979
bonds (distance) P-C4' energy: -13.895
flat angles C4'-P-C4' energy: -13.296
flat angles P-C4'-P energy: -5.999
tors. eta vs tors. theta energy: -13.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -133.636891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.636891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.636891 (E_RNA)
where:
Base-Base interactions energy: -85.774
where: short stacking energy: -25.443
Base-Backbone interact. energy: -0.320
local terms energy: -47.543021
where:
bonds (distance) C4'-P energy: -10.530
bonds (distance) P-C4' energy: -10.140
flat angles C4'-P-C4' energy: -12.314
flat angles P-C4'-P energy: -7.605
tors. eta vs tors. theta energy: -6.955
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: 8
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -68.027330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.027330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.027330 (E_RNA)
where:
Base-Base interactions energy: -29.198
where: short stacking energy: -12.673
Base-Backbone interact. energy: -0.132
local terms energy: -38.697980
where:
bonds (distance) C4'-P energy: -9.500
bonds (distance) P-C4' energy: -6.707
flat angles C4'-P-C4' energy: -11.887
flat angles P-C4'-P energy: -5.456
tors. eta vs tors. theta energy: -5.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -63.746399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.746399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.746399 (E_RNA)
where:
Base-Base interactions energy: -22.860
where: short stacking energy: -16.585
Base-Backbone interact. energy: -0.096
local terms energy: -40.790157
where:
bonds (distance) C4'-P energy: -12.340
bonds (distance) P-C4' energy: -11.359
flat angles C4'-P-C4' energy: -8.098
flat angles P-C4'-P energy: -6.044
tors. eta vs tors. theta energy: -2.949
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: 10
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -65.822106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.822106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.822106 (E_RNA)
where:
Base-Base interactions energy: -24.466
where: short stacking energy: -17.239
Base-Backbone interact. energy: -0.074
local terms energy: -41.281665
where:
bonds (distance) C4'-P energy: -7.806
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -4.771
flat angles P-C4'-P energy: -8.630
tors. eta vs tors. theta energy: -5.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -76.701325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.701325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.701325 (E_RNA)
where:
Base-Base interactions energy: -36.988
where: short stacking energy: -23.805
Base-Backbone interact. energy: -0.230
local terms energy: -39.483319
where:
bonds (distance) C4'-P energy: -7.691
bonds (distance) P-C4' energy: -13.984
flat angles C4'-P-C4' energy: -11.375
flat angles P-C4'-P energy: -3.812
tors. eta vs tors. theta energy: -2.621
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: 4
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -56.663032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.663032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.663032 (E_RNA)
where:
Base-Base interactions energy: -27.292
where: short stacking energy: -8.768
Base-Backbone interact. energy: -0.279
local terms energy: -29.091980
where:
bonds (distance) C4'-P energy: -10.888
bonds (distance) P-C4' energy: -10.224
flat angles C4'-P-C4' energy: -6.820
flat angles P-C4'-P energy: -1.537
tors. eta vs tors. theta energy: 0.376
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: 3
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -176.861713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.861713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.861713 (E_RNA)
where:
Base-Base interactions energy: -116.870
where: short stacking energy: -50.580
Base-Backbone interact. energy: -0.007
local terms energy: -59.985368
where:
bonds (distance) C4'-P energy: -11.727
bonds (distance) P-C4' energy: -11.979
flat angles C4'-P-C4' energy: -14.027
flat angles P-C4'-P energy: -8.101
tors. eta vs tors. theta energy: -14.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -181.015983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.015983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.015983 (E_RNA)
where:
Base-Base interactions energy: -117.040
where: short stacking energy: -47.725
Base-Backbone interact. energy: -0.015
local terms energy: -63.961187
where:
bonds (distance) C4'-P energy: -13.219
bonds (distance) P-C4' energy: -9.574
flat angles C4'-P-C4' energy: -13.526
flat angles P-C4'-P energy: -11.873
tors. eta vs tors. theta energy: -15.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -176.319744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.319744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.319744 (E_RNA)
where:
Base-Base interactions energy: -116.335
where: short stacking energy: -44.389
Base-Backbone interact. energy: -0.053
local terms energy: -59.932169
where:
bonds (distance) C4'-P energy: -12.587
bonds (distance) P-C4' energy: -12.052
flat angles C4'-P-C4' energy: -13.121
flat angles P-C4'-P energy: -6.570
tors. eta vs tors. theta energy: -15.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -147.823086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.823086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.823086 (E_RNA)
where:
Base-Base interactions energy: -88.837
where: short stacking energy: -35.934
Base-Backbone interact. energy: -1.155
local terms energy: -57.830672
where:
bonds (distance) C4'-P energy: -10.332
bonds (distance) P-C4' energy: -14.453
flat angles C4'-P-C4' energy: -14.209
flat angles P-C4'-P energy: -8.064
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: 5, replica: 2
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -114.790855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.790855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.790855 (E_RNA)
where:
Base-Base interactions energy: -75.353
where: short stacking energy: -17.880
Base-Backbone interact. energy: -0.474
local terms energy: -38.963981
where:
bonds (distance) C4'-P energy: -13.984
bonds (distance) P-C4' energy: -8.157
flat angles C4'-P-C4' energy: -9.312
flat angles P-C4'-P energy: -7.501
tors. eta vs tors. theta energy: -0.010
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: 59
Temperature: 1.150000
Total energy: -67.012074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.012074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.012074 (E_RNA)
where:
Base-Base interactions energy: -22.325
where: short stacking energy: -22.525
Base-Backbone interact. energy: -0.075
local terms energy: -44.611189
where:
bonds (distance) C4'-P energy: -12.455
bonds (distance) P-C4' energy: -13.775
flat angles C4'-P-C4' energy: -10.340
flat angles P-C4'-P energy: -6.456
tors. eta vs tors. theta energy: -1.584
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: 8
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -88.444374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.444374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.444374 (E_RNA)
where:
Base-Base interactions energy: -47.068
where: short stacking energy: -26.860
Base-Backbone interact. energy: 2.502
local terms energy: -43.878166
where:
bonds (distance) C4'-P energy: -13.090
bonds (distance) P-C4' energy: -13.353
flat angles C4'-P-C4' energy: -8.732
flat angles P-C4'-P energy: -3.817
tors. eta vs tors. theta energy: -4.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -78.439516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.439516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.439516 (E_RNA)
where:
Base-Base interactions energy: -40.553
where: short stacking energy: -12.780
Base-Backbone interact. energy: -1.069
local terms energy: -36.817799
where:
bonds (distance) C4'-P energy: -9.042
bonds (distance) P-C4' energy: -12.847
flat angles C4'-P-C4' energy: -12.380
flat angles P-C4'-P energy: -8.104
tors. eta vs tors. theta energy: 5.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -65.542501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.542501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.542501 (E_RNA)
where:
Base-Base interactions energy: -19.745
where: short stacking energy: -15.329
Base-Backbone interact. energy: -0.003
local terms energy: -45.794232
where:
bonds (distance) C4'-P energy: -12.062
bonds (distance) P-C4' energy: -12.184
flat angles C4'-P-C4' energy: -11.954
flat angles P-C4'-P energy: -7.407
tors. eta vs tors. theta energy: -2.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -59.455617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.455617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.455617 (E_RNA)
where:
Base-Base interactions energy: -21.752
where: short stacking energy: -10.339
Base-Backbone interact. energy: -0.107
local terms energy: -37.596749
where:
bonds (distance) C4'-P energy: -10.653
bonds (distance) P-C4' energy: -12.892
flat angles C4'-P-C4' energy: -11.549
flat angles P-C4'-P energy: -4.935
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: 1, replica: 3
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -180.804746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.804746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.804746 (E_RNA)
where:
Base-Base interactions energy: -115.590
where: short stacking energy: -46.766
Base-Backbone interact. energy: -0.000
local terms energy: -65.214145
where:
bonds (distance) C4'-P energy: -13.648
bonds (distance) P-C4' energy: -12.567
flat angles C4'-P-C4' energy: -13.497
flat angles P-C4'-P energy: -10.983
tors. eta vs tors. theta energy: -14.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -176.363593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.363593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.363593 (E_RNA)
where:
Base-Base interactions energy: -113.073
where: short stacking energy: -45.090
Base-Backbone interact. energy: -0.001
local terms energy: -63.288814
where:
bonds (distance) C4'-P energy: -10.817
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -13.366
flat angles P-C4'-P energy: -10.457
tors. eta vs tors. theta energy: -15.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -174.688635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.688635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.688635 (E_RNA)
where:
Base-Base interactions energy: -116.057
where: short stacking energy: -46.700
Base-Backbone interact. energy: -0.027
local terms energy: -58.604386
where:
bonds (distance) C4'-P energy: -12.314
bonds (distance) P-C4' energy: -11.724
flat angles C4'-P-C4' energy: -10.109
flat angles P-C4'-P energy: -8.820
tors. eta vs tors. theta energy: -15.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -157.742575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.742575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.742575 (E_RNA)
where:
Base-Base interactions energy: -98.045
where: short stacking energy: -33.093
Base-Backbone interact. energy: -0.270
local terms energy: -59.427151
where:
bonds (distance) C4'-P energy: -12.274
bonds (distance) P-C4' energy: -11.732
flat angles C4'-P-C4' energy: -13.971
flat angles P-C4'-P energy: -10.041
tors. eta vs tors. theta energy: -11.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -81.051638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.051638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.051638 (E_RNA)
where:
Base-Base interactions energy: -30.544
where: short stacking energy: -30.544
Base-Backbone interact. energy: -0.001
local terms energy: -50.506103
where:
bonds (distance) C4'-P energy: -11.591
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -6.540
flat angles P-C4'-P energy: -9.515
tors. eta vs tors. theta energy: -8.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -117.668527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.668527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.668527 (E_RNA)
where:
Base-Base interactions energy: -73.867
where: short stacking energy: -16.405
Base-Backbone interact. energy: -0.759
local terms energy: -43.042539
where:
bonds (distance) C4'-P energy: -12.078
bonds (distance) P-C4' energy: -7.786
flat angles C4'-P-C4' energy: -10.543
flat angles P-C4'-P energy: -7.003
tors. eta vs tors. theta energy: -5.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -65.532970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.532970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.532970 (E_RNA)
where:
Base-Base interactions energy: -26.269
where: short stacking energy: -15.019
Base-Backbone interact. energy: -1.759
local terms energy: -37.505030
where:
bonds (distance) C4'-P energy: -9.989
bonds (distance) P-C4' energy: -13.473
flat angles C4'-P-C4' energy: -4.150
flat angles P-C4'-P energy: -7.419
tors. eta vs tors. theta energy: -2.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -72.461966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.461966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.461966 (E_RNA)
where:
Base-Base interactions energy: -33.147
where: short stacking energy: -16.223
Base-Backbone interact. energy: -0.256
local terms energy: -39.058711
where:
bonds (distance) C4'-P energy: -10.821
bonds (distance) P-C4' energy: -9.484
flat angles C4'-P-C4' energy: -11.623
flat angles P-C4'-P energy: -4.010
tors. eta vs tors. theta energy: -3.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -74.647836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.647836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.647836 (E_RNA)
where:
Base-Base interactions energy: -47.781
where: short stacking energy: -12.257
Base-Backbone interact. energy: -0.206
local terms energy: -26.660767
where:
bonds (distance) C4'-P energy: -10.149
bonds (distance) P-C4' energy: -13.180
flat angles C4'-P-C4' energy: -5.253
flat angles P-C4'-P energy: -1.340
tors. eta vs tors. theta energy: 3.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -54.535473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.535473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.535473 (E_RNA)
where:
Base-Base interactions energy: -12.263
where: short stacking energy: -9.350
Base-Backbone interact. energy: -0.216
local terms energy: -42.056189
where:
bonds (distance) C4'-P energy: -11.956
bonds (distance) P-C4' energy: -12.084
flat angles C4'-P-C4' energy: -11.276
flat angles P-C4'-P energy: -6.107
tors. eta vs tors. theta energy: -0.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -182.493596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.493596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.493596 (E_RNA)
where:
Base-Base interactions energy: -119.246
where: short stacking energy: -47.430
Base-Backbone interact. energy: -0.006
local terms energy: -63.241744
where:
bonds (distance) C4'-P energy: -13.354
bonds (distance) P-C4' energy: -13.867
flat angles C4'-P-C4' energy: -14.439
flat angles P-C4'-P energy: -5.267
tors. eta vs tors. theta energy: -16.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -177.245177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.245177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.245177 (E_RNA)
where:
Base-Base interactions energy: -111.676
where: short stacking energy: -49.178
Base-Backbone interact. energy: -0.026
local terms energy: -65.543148
where:
bonds (distance) C4'-P energy: -14.092
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -12.747
flat angles P-C4'-P energy: -7.975
tors. eta vs tors. theta energy: -17.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -174.870218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.870218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.870218 (E_RNA)
where:
Base-Base interactions energy: -113.283
where: short stacking energy: -44.914
Base-Backbone interact. energy: -1.420
local terms energy: -60.166695
where:
bonds (distance) C4'-P energy: -12.866
bonds (distance) P-C4' energy: -11.429
flat angles C4'-P-C4' energy: -13.385
flat angles P-C4'-P energy: -3.527
tors. eta vs tors. theta energy: -18.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -71.023742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.023742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.023742 (E_RNA)
where:
Base-Base interactions energy: -24.498
where: short stacking energy: -24.498
Base-Backbone interact. energy: -0.239
local terms energy: -46.286838
where:
bonds (distance) C4'-P energy: -11.359
bonds (distance) P-C4' energy: -15.830
flat angles C4'-P-C4' energy: -11.910
flat angles P-C4'-P energy: -4.085
tors. eta vs tors. theta energy: -3.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -171.318603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.318603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.318603 (E_RNA)
where:
Base-Base interactions energy: -109.878
where: short stacking energy: -48.063
Base-Backbone interact. energy: 1.115
local terms energy: -62.556258
where:
bonds (distance) C4'-P energy: -11.996
bonds (distance) P-C4' energy: -11.775
flat angles C4'-P-C4' energy: -11.392
flat angles P-C4'-P energy: -10.192
tors. eta vs tors. theta energy: -17.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -82.560132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.560132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.560132 (E_RNA)
where:
Base-Base interactions energy: -40.728
where: short stacking energy: -24.895
Base-Backbone interact. energy: -0.301
local terms energy: -41.530639
where:
bonds (distance) C4'-P energy: -8.192
bonds (distance) P-C4' energy: -11.718
flat angles C4'-P-C4' energy: -9.857
flat angles P-C4'-P energy: -6.996
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: 7, replica: 2
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -65.969996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.969996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.969996 (E_RNA)
where:
Base-Base interactions energy: -22.125
where: short stacking energy: -10.682
Base-Backbone interact. energy: -0.568
local terms energy: -43.277182
where:
bonds (distance) C4'-P energy: -8.775
bonds (distance) P-C4' energy: -14.357
flat angles C4'-P-C4' energy: -13.039
flat angles P-C4'-P energy: -10.665
tors. eta vs tors. theta energy: 3.558
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: 4
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -67.949405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.949405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.949405 (E_RNA)
where:
Base-Base interactions energy: -25.645
where: short stacking energy: -18.529
Base-Backbone interact. energy: -0.067
local terms energy: -42.237502
where:
bonds (distance) C4'-P energy: -12.624
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -8.942
flat angles P-C4'-P energy: -5.689
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: 8
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -69.467558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.467558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.467558 (E_RNA)
where:
Base-Base interactions energy: -22.485
where: short stacking energy: -13.715
Base-Backbone interact. energy: -0.044
local terms energy: -46.939126
where:
bonds (distance) C4'-P energy: -9.889
bonds (distance) P-C4' energy: -13.836
flat angles C4'-P-C4' energy: -10.570
flat angles P-C4'-P energy: -9.238
tors. eta vs tors. theta energy: -3.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -86.372783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.372783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.372783 (E_RNA)
where:
Base-Base interactions energy: -43.689
where: short stacking energy: -18.591
Base-Backbone interact. energy: -0.479
local terms energy: -42.205012
where:
bonds (distance) C4'-P energy: -12.580
bonds (distance) P-C4' energy: -13.113
flat angles C4'-P-C4' energy: -10.609
flat angles P-C4'-P energy: -1.530
tors. eta vs tors. theta energy: -4.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -185.727561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.727561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.727561 (E_RNA)
where:
Base-Base interactions energy: -118.360
where: short stacking energy: -51.568
Base-Backbone interact. energy: -0.007
local terms energy: -67.360809
where:
bonds (distance) C4'-P energy: -11.384
bonds (distance) P-C4' energy: -15.573
flat angles C4'-P-C4' energy: -12.856
flat angles P-C4'-P energy: -8.440
tors. eta vs tors. theta energy: -19.109
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: 9
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -173.101633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.101633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.101633 (E_RNA)
where:
Base-Base interactions energy: -112.893
where: short stacking energy: -43.047
Base-Backbone interact. energy: -0.000
local terms energy: -60.208199
where:
bonds (distance) C4'-P energy: -10.157
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -11.491
flat angles P-C4'-P energy: -9.537
tors. eta vs tors. theta energy: -15.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -174.031022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.031022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.031022 (E_RNA)
where:
Base-Base interactions energy: -115.800
where: short stacking energy: -49.101
Base-Backbone interact. energy: 0.089
local terms energy: -58.320533
where:
bonds (distance) C4'-P energy: -10.658
bonds (distance) P-C4' energy: -10.175
flat angles C4'-P-C4' energy: -13.830
flat angles P-C4'-P energy: -8.652
tors. eta vs tors. theta energy: -15.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -79.617344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.617344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.617344 (E_RNA)
where:
Base-Base interactions energy: -29.228
where: short stacking energy: -17.288
Base-Backbone interact. energy: -0.064
local terms energy: -50.325215
where:
bonds (distance) C4'-P energy: -13.081
bonds (distance) P-C4' energy: -12.862
flat angles C4'-P-C4' energy: -11.395
flat angles P-C4'-P energy: -7.447
tors. eta vs tors. theta energy: -5.540
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: 5, replica: 7
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -163.947290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.947290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.947290 (E_RNA)
where:
Base-Base interactions energy: -110.680
where: short stacking energy: -42.342
Base-Backbone interact. energy: -0.172
local terms energy: -53.094601
where:
bonds (distance) C4'-P energy: -12.625
bonds (distance) P-C4' energy: -5.955
flat angles C4'-P-C4' energy: -11.756
flat angles P-C4'-P energy: -10.154
tors. eta vs tors. theta energy: -12.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -105.976026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.976026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.976026 (E_RNA)
where:
Base-Base interactions energy: -66.367
where: short stacking energy: -27.006
Base-Backbone interact. energy: -0.043
local terms energy: -39.565345
where:
bonds (distance) C4'-P energy: -9.281
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -11.359
flat angles P-C4'-P energy: -2.976
tors. eta vs tors. theta energy: -3.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -75.811247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.811247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.811247 (E_RNA)
where:
Base-Base interactions energy: -34.036
where: short stacking energy: -13.503
Base-Backbone interact. energy: 1.964
local terms energy: -43.738790
where:
bonds (distance) C4'-P energy: -11.561
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -10.916
flat angles P-C4'-P energy: -5.130
tors. eta vs tors. theta energy: -1.982
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: 4
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -61.046171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.046171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.046171 (E_RNA)
where:
Base-Base interactions energy: -17.950
where: short stacking energy: -16.682
Base-Backbone interact. energy: -0.115
local terms energy: -42.980748
where:
bonds (distance) C4'-P energy: -12.917
bonds (distance) P-C4' energy: -13.889
flat angles C4'-P-C4' energy: -10.361
flat angles P-C4'-P energy: -6.305
tors. eta vs tors. theta energy: 0.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -77.700579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.700579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.700579 (E_RNA)
where:
Base-Base interactions energy: -32.774
where: short stacking energy: -17.879
Base-Backbone interact. energy: -0.017
local terms energy: -44.909726
where:
bonds (distance) C4'-P energy: -9.973
bonds (distance) P-C4' energy: -12.827
flat angles C4'-P-C4' energy: -13.562
flat angles P-C4'-P energy: -8.122
tors. eta vs tors. theta energy: -0.425
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: 8
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -55.170608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.170608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.170608 (E_RNA)
where:
Base-Base interactions energy: -15.103
where: short stacking energy: -14.516
Base-Backbone interact. energy: -1.252
local terms energy: -38.815667
where:
bonds (distance) C4'-P energy: -12.112
bonds (distance) P-C4' energy: -13.110
flat angles C4'-P-C4' energy: -6.438
flat angles P-C4'-P energy: -9.953
tors. eta vs tors. theta energy: 2.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -179.843154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.843154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.843154 (E_RNA)
where:
Base-Base interactions energy: -117.434
where: short stacking energy: -49.914
Base-Backbone interact. energy: -0.006
local terms energy: -62.402797
where:
bonds (distance) C4'-P energy: -11.293
bonds (distance) P-C4' energy: -12.821
flat angles C4'-P-C4' energy: -14.502
flat angles P-C4'-P energy: -7.376
tors. eta vs tors. theta energy: -16.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -176.790355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.790355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.790355 (E_RNA)
where:
Base-Base interactions energy: -118.184
where: short stacking energy: -45.992
Base-Backbone interact. energy: -0.914
local terms energy: -57.692869
where:
bonds (distance) C4'-P energy: -10.315
bonds (distance) P-C4' energy: -13.640
flat angles C4'-P-C4' energy: -11.834
flat angles P-C4'-P energy: -9.635
tors. eta vs tors. theta energy: -12.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -178.265908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.265908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.265908 (E_RNA)
where:
Base-Base interactions energy: -119.508
where: short stacking energy: -51.027
Base-Backbone interact. energy: -0.066
local terms energy: -58.691063
where:
bonds (distance) C4'-P energy: -11.839
bonds (distance) P-C4' energy: -11.810
flat angles C4'-P-C4' energy: -12.785
flat angles P-C4'-P energy: -6.211
tors. eta vs tors. theta energy: -16.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -164.161689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.161689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.161689 (E_RNA)
where:
Base-Base interactions energy: -106.267
where: short stacking energy: -42.405
Base-Backbone interact. energy: -1.573
local terms energy: -56.321501
where:
bonds (distance) C4'-P energy: -13.210
bonds (distance) P-C4' energy: -12.150
flat angles C4'-P-C4' energy: -9.709
flat angles P-C4'-P energy: -9.131
tors. eta vs tors. theta energy: -12.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -92.664952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.664952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.664952 (E_RNA)
where:
Base-Base interactions energy: -47.665
where: short stacking energy: -33.045
Base-Backbone interact. energy: 1.374
local terms energy: -46.374796
where:
bonds (distance) C4'-P energy: -10.534
bonds (distance) P-C4' energy: -11.748
flat angles C4'-P-C4' energy: -9.417
flat angles P-C4'-P energy: -9.635
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -96.242430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.242430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.242430 (E_RNA)
where:
Base-Base interactions energy: -43.542
where: short stacking energy: -16.394
Base-Backbone interact. energy: -0.160
local terms energy: -52.540832
where:
bonds (distance) C4'-P energy: -9.242
bonds (distance) P-C4' energy: -13.218
flat angles C4'-P-C4' energy: -13.751
flat angles P-C4'-P energy: -8.155
tors. eta vs tors. theta energy: -8.175
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: 7, replica: 2
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -76.178633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.178633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.178633 (E_RNA)
where:
Base-Base interactions energy: -31.022
where: short stacking energy: -22.429
Base-Backbone interact. energy: 0.150
local terms energy: -45.306722
where:
bonds (distance) C4'-P energy: -13.375
bonds (distance) P-C4' energy: -12.177
flat angles C4'-P-C4' energy: -7.293
flat angles P-C4'-P energy: -6.789
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: 8, replica: 10
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -58.602635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.602635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.602635 (E_RNA)
where:
Base-Base interactions energy: -19.754
where: short stacking energy: -8.807
Base-Backbone interact. energy: 0.560
local terms energy: -39.409305
where:
bonds (distance) C4'-P energy: -13.860
bonds (distance) P-C4' energy: -12.169
flat angles C4'-P-C4' energy: -10.300
flat angles P-C4'-P energy: -5.808
tors. eta vs tors. theta energy: 2.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -71.940697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.940697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.940697 (E_RNA)
where:
Base-Base interactions energy: -29.239
where: short stacking energy: -19.787
Base-Backbone interact. energy: -0.008
local terms energy: -42.693150
where:
bonds (distance) C4'-P energy: -8.920
bonds (distance) P-C4' energy: -11.034
flat angles C4'-P-C4' energy: -8.171
flat angles P-C4'-P energy: -10.586
tors. eta vs tors. theta energy: -3.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -58.321324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.321324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.321324 (E_RNA)
where:
Base-Base interactions energy: -14.018
where: short stacking energy: -15.471
Base-Backbone interact. energy: -0.207
local terms energy: -44.095930
where:
bonds (distance) C4'-P energy: -7.423
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -14.902
flat angles P-C4'-P energy: -9.078
tors. eta vs tors. theta energy: 0.653
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: 3
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -176.072050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.072050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.072050 (E_RNA)
where:
Base-Base interactions energy: -114.153
where: short stacking energy: -48.303
Base-Backbone interact. energy: -0.032
local terms energy: -61.887146
where:
bonds (distance) C4'-P energy: -13.193
bonds (distance) P-C4' energy: -10.107
flat angles C4'-P-C4' energy: -12.572
flat angles P-C4'-P energy: -10.164
tors. eta vs tors. theta energy: -15.851
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: 1
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -172.352417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.352417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.352417 (E_RNA)
where:
Base-Base interactions energy: -120.354
where: short stacking energy: -42.008
Base-Backbone interact. energy: -0.105
local terms energy: -51.893283
where:
bonds (distance) C4'-P energy: -11.474
bonds (distance) P-C4' energy: -13.152
flat angles C4'-P-C4' energy: -11.990
flat angles P-C4'-P energy: -5.692
tors. eta vs tors. theta energy: -9.585
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: 7
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -173.030827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.030827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.030827 (E_RNA)
where:
Base-Base interactions energy: -108.629
where: short stacking energy: -39.763
Base-Backbone interact. energy: -0.716
local terms energy: -63.686177
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -12.439
flat angles P-C4'-P energy: -8.322
tors. eta vs tors. theta energy: -14.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -167.179964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.179964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.179964 (E_RNA)
where:
Base-Base interactions energy: -108.161
where: short stacking energy: -34.907
Base-Backbone interact. energy: -0.041
local terms energy: -58.977994
where:
bonds (distance) C4'-P energy: -8.068
bonds (distance) P-C4' energy: -11.483
flat angles C4'-P-C4' energy: -14.838
flat angles P-C4'-P energy: -11.022
tors. eta vs tors. theta energy: -13.567
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: 64
Temperature: 1.100000
Total energy: -83.308286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.308286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.308286 (E_RNA)
where:
Base-Base interactions energy: -38.232
where: short stacking energy: -22.657
Base-Backbone interact. energy: -0.087
local terms energy: -44.989327
where:
bonds (distance) C4'-P energy: -13.114
bonds (distance) P-C4' energy: -9.356
flat angles C4'-P-C4' energy: -10.747
flat angles P-C4'-P energy: -5.979
tors. eta vs tors. theta energy: -5.793
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: 6
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -106.815948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.815948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.815948 (E_RNA)
where:
Base-Base interactions energy: -61.528
where: short stacking energy: -20.033
Base-Backbone interact. energy: -0.425
local terms energy: -44.863225
where:
bonds (distance) C4'-P energy: -14.083
bonds (distance) P-C4' energy: -11.493
flat angles C4'-P-C4' energy: -11.109
flat angles P-C4'-P energy: -8.085
tors. eta vs tors. theta energy: -0.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -79.308839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.308839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.308839 (E_RNA)
where:
Base-Base interactions energy: -35.661
where: short stacking energy: -17.706
Base-Backbone interact. energy: -0.158
local terms energy: -43.489640
where:
bonds (distance) C4'-P energy: -8.866
bonds (distance) P-C4' energy: -11.123
flat angles C4'-P-C4' energy: -9.254
flat angles P-C4'-P energy: -8.776
tors. eta vs tors. theta energy: -5.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -59.492585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.492585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.492585 (E_RNA)
where:
Base-Base interactions energy: -24.233
where: short stacking energy: -14.548
Base-Backbone interact. energy: -0.742
local terms energy: -34.516690
where:
bonds (distance) C4'-P energy: -7.100
bonds (distance) P-C4' energy: -9.288
flat angles C4'-P-C4' energy: -13.359
flat angles P-C4'-P energy: -6.915
tors. eta vs tors. theta energy: 2.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -72.421979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.421979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.421979 (E_RNA)
where:
Base-Base interactions energy: -26.177
where: short stacking energy: -22.954
Base-Backbone interact. energy: -0.103
local terms energy: -46.142016
where:
bonds (distance) C4'-P energy: -12.341
bonds (distance) P-C4' energy: -13.631
flat angles C4'-P-C4' energy: -9.089
flat angles P-C4'-P energy: -6.306
tors. eta vs tors. theta energy: -4.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -58.996432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.996432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.996432 (E_RNA)
where:
Base-Base interactions energy: -28.917
where: short stacking energy: -11.249
Base-Backbone interact. energy: -0.574
local terms energy: -29.505824
where:
bonds (distance) C4'-P energy: -8.445
bonds (distance) P-C4' energy: -13.508
flat angles C4'-P-C4' energy: -10.386
flat angles P-C4'-P energy: -3.656
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: 1, replica: 3
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -177.868622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.868622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.868622 (E_RNA)
where:
Base-Base interactions energy: -117.139
where: short stacking energy: -42.378
Base-Backbone interact. energy: -0.036
local terms energy: -60.693611
where:
bonds (distance) C4'-P energy: -15.027
bonds (distance) P-C4' energy: -11.219
flat angles C4'-P-C4' energy: -14.716
flat angles P-C4'-P energy: -8.387
tors. eta vs tors. theta energy: -11.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -175.970174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.970174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.970174 (E_RNA)
where:
Base-Base interactions energy: -119.499
where: short stacking energy: -39.404
Base-Backbone interact. energy: -0.310
local terms energy: -56.161913
where:
bonds (distance) C4'-P energy: -12.261
bonds (distance) P-C4' energy: -14.199
flat angles C4'-P-C4' energy: -12.786
flat angles P-C4'-P energy: -3.475
tors. eta vs tors. theta energy: -13.441
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: 7
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -174.085438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.085438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.085438 (E_RNA)
where:
Base-Base interactions energy: -108.882
where: short stacking energy: -43.765
Base-Backbone interact. energy: 0.408
local terms energy: -65.612255
where:
bonds (distance) C4'-P energy: -12.453
bonds (distance) P-C4' energy: -12.723
flat angles C4'-P-C4' energy: -13.009
flat angles P-C4'-P energy: -10.787
tors. eta vs tors. theta energy: -16.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -168.565055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.565055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.565055 (E_RNA)
where:
Base-Base interactions energy: -113.856
where: short stacking energy: -43.056
Base-Backbone interact. energy: -0.035
local terms energy: -54.674213
where:
bonds (distance) C4'-P energy: -9.228
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -11.453
flat angles P-C4'-P energy: -2.895
tors. eta vs tors. theta energy: -16.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -85.706223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.706223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.706223 (E_RNA)
where:
Base-Base interactions energy: -34.378
where: short stacking energy: -18.296
Base-Backbone interact. energy: -0.066
local terms energy: -51.262442
where:
bonds (distance) C4'-P energy: -12.726
bonds (distance) P-C4' energy: -10.755
flat angles C4'-P-C4' energy: -15.629
flat angles P-C4'-P energy: -6.278
tors. eta vs tors. theta energy: -5.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -143.439377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.439377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.439377 (E_RNA)
where:
Base-Base interactions energy: -91.437
where: short stacking energy: -37.414
Base-Backbone interact. energy: -0.136
local terms energy: -51.866415
where:
bonds (distance) C4'-P energy: -8.006
bonds (distance) P-C4' energy: -11.588
flat angles C4'-P-C4' energy: -12.764
flat angles P-C4'-P energy: -8.012
tors. eta vs tors. theta energy: -11.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -72.544988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.544988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.544988 (E_RNA)
where:
Base-Base interactions energy: -26.039
where: short stacking energy: -26.039
Base-Backbone interact. energy: -0.001
local terms energy: -46.505450
where:
bonds (distance) C4'-P energy: -10.578
bonds (distance) P-C4' energy: -13.687
flat angles C4'-P-C4' energy: -10.022
flat angles P-C4'-P energy: -5.874
tors. eta vs tors. theta energy: -6.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -64.332352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.332352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.332352 (E_RNA)
where:
Base-Base interactions energy: -23.405
where: short stacking energy: -10.621
Base-Backbone interact. energy: -0.704
local terms energy: -40.223528
where:
bonds (distance) C4'-P energy: -11.533
bonds (distance) P-C4' energy: -15.594
flat angles C4'-P-C4' energy: -9.377
flat angles P-C4'-P energy: -6.105
tors. eta vs tors. theta energy: 2.386
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: 9, replica: 10
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -67.791937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.791937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.791937 (E_RNA)
where:
Base-Base interactions energy: -29.626
where: short stacking energy: -19.141
Base-Backbone interact. energy: -0.429
local terms energy: -37.736706
where:
bonds (distance) C4'-P energy: -8.726
bonds (distance) P-C4' energy: -13.772
flat angles C4'-P-C4' energy: -8.673
flat angles P-C4'-P energy: -6.191
tors. eta vs tors. theta energy: -0.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -61.312360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.312360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.312360 (E_RNA)
where:
Base-Base interactions energy: -25.764
where: short stacking energy: -14.911
Base-Backbone interact. energy: -0.270
local terms energy: -35.277787
where:
bonds (distance) C4'-P energy: -11.189
bonds (distance) P-C4' energy: -12.036
flat angles C4'-P-C4' energy: -8.000
flat angles P-C4'-P energy: -3.033
tors. eta vs tors. theta energy: -1.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -175.563425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.563425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.563425 (E_RNA)
where:
Base-Base interactions energy: -117.837
where: short stacking energy: -51.350
Base-Backbone interact. energy: -0.029
local terms energy: -57.697392
where:
bonds (distance) C4'-P energy: -10.146
bonds (distance) P-C4' energy: -12.177
flat angles C4'-P-C4' energy: -10.036
flat angles P-C4'-P energy: -9.402
tors. eta vs tors. theta energy: -15.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -175.660290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.660290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.660290 (E_RNA)
where:
Base-Base interactions energy: -114.406
where: short stacking energy: -45.559
Base-Backbone interact. energy: -0.015
local terms energy: -61.239216
where:
bonds (distance) C4'-P energy: -9.864
bonds (distance) P-C4' energy: -12.167
flat angles C4'-P-C4' energy: -14.122
flat angles P-C4'-P energy: -9.533
tors. eta vs tors. theta energy: -15.553
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: 3, replica: 9
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -173.909967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.909967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.909967 (E_RNA)
where:
Base-Base interactions energy: -115.782
where: short stacking energy: -44.260
Base-Backbone interact. energy: -0.709
local terms energy: -57.418413
where:
bonds (distance) C4'-P energy: -8.560
bonds (distance) P-C4' energy: -12.586
flat angles C4'-P-C4' energy: -11.672
flat angles P-C4'-P energy: -8.946
tors. eta vs tors. theta energy: -15.655
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: 66
Temperature: 1.050000
Total energy: -172.423933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.423933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.423933 (E_RNA)
where:
Base-Base interactions energy: -112.926
where: short stacking energy: -48.889
Base-Backbone interact. energy: -0.292
local terms energy: -59.205913
where:
bonds (distance) C4'-P energy: -9.748
bonds (distance) P-C4' energy: -10.718
flat angles C4'-P-C4' energy: -12.913
flat angles P-C4'-P energy: -10.293
tors. eta vs tors. theta energy: -15.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -139.930226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.930226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.930226 (E_RNA)
where:
Base-Base interactions energy: -94.252
where: short stacking energy: -29.525
Base-Backbone interact. energy: -0.522
local terms energy: -45.156215
where:
bonds (distance) C4'-P energy: -3.050
bonds (distance) P-C4' energy: -12.598
flat angles C4'-P-C4' energy: -12.733
flat angles P-C4'-P energy: -8.676
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: 6, replica: 5
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -71.234705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.234705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.234705 (E_RNA)
where:
Base-Base interactions energy: -28.790
where: short stacking energy: -14.486
Base-Backbone interact. energy: -0.226
local terms energy: -42.219097
where:
bonds (distance) C4'-P energy: -11.288
bonds (distance) P-C4' energy: -10.639
flat angles C4'-P-C4' energy: -11.701
flat angles P-C4'-P energy: -6.040
tors. eta vs tors. theta energy: -2.551
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: 2
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -80.145152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.145152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.145152 (E_RNA)
where:
Base-Base interactions energy: -38.852
where: short stacking energy: -23.571
Base-Backbone interact. energy: -0.704
local terms energy: -40.589240
where:
bonds (distance) C4'-P energy: -11.781
bonds (distance) P-C4' energy: -9.657
flat angles C4'-P-C4' energy: -8.329
flat angles P-C4'-P energy: -7.537
tors. eta vs tors. theta energy: -3.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -63.050909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.050909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.050909 (E_RNA)
where:
Base-Base interactions energy: -18.014
where: short stacking energy: -16.464
Base-Backbone interact. energy: -0.184
local terms energy: -44.853589
where:
bonds (distance) C4'-P energy: -12.385
bonds (distance) P-C4' energy: -11.485
flat angles C4'-P-C4' energy: -8.578
flat angles P-C4'-P energy: -6.691
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: 9, replica: 4
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -65.309044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.309044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.309044 (E_RNA)
where:
Base-Base interactions energy: -19.612
where: short stacking energy: -14.003
Base-Backbone interact. energy: -0.543
local terms energy: -45.154249
where:
bonds (distance) C4'-P energy: -12.638
bonds (distance) P-C4' energy: -13.162
flat angles C4'-P-C4' energy: -10.950
flat angles P-C4'-P energy: -9.272
tors. eta vs tors. theta energy: 0.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -56.396561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.396561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.396561 (E_RNA)
where:
Base-Base interactions energy: -21.101
where: short stacking energy: -9.760
Base-Backbone interact. energy: -0.583
local terms energy: -34.711776
where:
bonds (distance) C4'-P energy: -9.785
bonds (distance) P-C4' energy: -11.482
flat angles C4'-P-C4' energy: -9.370
flat angles P-C4'-P energy: -5.216
tors. eta vs tors. theta energy: 1.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -179.781571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.781571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.781571 (E_RNA)
where:
Base-Base interactions energy: -117.697
where: short stacking energy: -47.691
Base-Backbone interact. energy: -0.097
local terms energy: -61.987445
where:
bonds (distance) C4'-P energy: -9.735
bonds (distance) P-C4' energy: -14.163
flat angles C4'-P-C4' energy: -13.821
flat angles P-C4'-P energy: -8.268
tors. eta vs tors. theta energy: -16.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -181.569807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.569807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.569807 (E_RNA)
where:
Base-Base interactions energy: -117.927
where: short stacking energy: -46.200
Base-Backbone interact. energy: -0.349
local terms energy: -63.294043
where:
bonds (distance) C4'-P energy: -10.974
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -12.669
flat angles P-C4'-P energy: -10.073
tors. eta vs tors. theta energy: -14.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -175.288384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.288384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.288384 (E_RNA)
where:
Base-Base interactions energy: -114.208
where: short stacking energy: -45.910
Base-Backbone interact. energy: -0.097
local terms energy: -60.983105
where:
bonds (distance) C4'-P energy: -10.204
bonds (distance) P-C4' energy: -13.421
flat angles C4'-P-C4' energy: -13.163
flat angles P-C4'-P energy: -10.168
tors. eta vs tors. theta energy: -14.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -173.517000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.517000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.517000 (E_RNA)
where:
Base-Base interactions energy: -116.688
where: short stacking energy: -41.438
Base-Backbone interact. energy: 0.467
local terms energy: -57.295339
where:
bonds (distance) C4'-P energy: -11.896
bonds (distance) P-C4' energy: -12.317
flat angles C4'-P-C4' energy: -9.649
flat angles P-C4'-P energy: -6.900
tors. eta vs tors. theta energy: -16.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -99.205022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.205022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.205022 (E_RNA)
where:
Base-Base interactions energy: -58.489
where: short stacking energy: -23.396
Base-Backbone interact. energy: -0.199
local terms energy: -40.517092
where:
bonds (distance) C4'-P energy: -12.096
bonds (distance) P-C4' energy: -11.009
flat angles C4'-P-C4' energy: -12.731
flat angles P-C4'-P energy: -5.744
tors. eta vs tors. theta energy: 1.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -76.189087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.189087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.189087 (E_RNA)
where:
Base-Base interactions energy: -38.930
where: short stacking energy: -21.112
Base-Backbone interact. energy: -1.053
local terms energy: -36.205999
where:
bonds (distance) C4'-P energy: -6.640
bonds (distance) P-C4' energy: -12.585
flat angles C4'-P-C4' energy: -8.576
flat angles P-C4'-P energy: -2.906
tors. eta vs tors. theta energy: -5.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -62.710630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.710630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.710630 (E_RNA)
where:
Base-Base interactions energy: -19.023
where: short stacking energy: -19.023
Base-Backbone interact. energy: -0.243
local terms energy: -43.444150
where:
bonds (distance) C4'-P energy: -10.647
bonds (distance) P-C4' energy: -13.606
flat angles C4'-P-C4' energy: -10.295
flat angles P-C4'-P energy: -6.461
tors. eta vs tors. theta energy: -2.434
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: 8, replica: 4
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -86.751710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.751710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.751710 (E_RNA)
where:
Base-Base interactions energy: -45.288
where: short stacking energy: -27.262
Base-Backbone interact. energy: 1.781
local terms energy: -43.244279
where:
bonds (distance) C4'-P energy: -5.907
bonds (distance) P-C4' energy: -10.425
flat angles C4'-P-C4' energy: -10.753
flat angles P-C4'-P energy: -9.085
tors. eta vs tors. theta energy: -7.074
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: 8
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -57.767625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.767625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.767625 (E_RNA)
where:
Base-Base interactions energy: -15.018
where: short stacking energy: -15.018
Base-Backbone interact. energy: -0.045
local terms energy: -42.704802
where:
bonds (distance) C4'-P energy: -8.961
bonds (distance) P-C4' energy: -15.373
flat angles C4'-P-C4' energy: -7.835
flat angles P-C4'-P energy: -8.922
tors. eta vs tors. theta energy: -1.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -57.326279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.326279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.326279 (E_RNA)
where:
Base-Base interactions energy: -25.573
where: short stacking energy: -7.918
Base-Backbone interact. energy: -0.232
local terms energy: -31.521287
where:
bonds (distance) C4'-P energy: -9.964
bonds (distance) P-C4' energy: -10.508
flat angles C4'-P-C4' energy: -8.791
flat angles P-C4'-P energy: -4.547
tors. eta vs tors. theta energy: 2.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -177.165838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.165838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.165838 (E_RNA)
where:
Base-Base interactions energy: -113.345
where: short stacking energy: -41.620
Base-Backbone interact. energy: -0.101
local terms energy: -63.719244
where:
bonds (distance) C4'-P energy: -13.843
bonds (distance) P-C4' energy: -13.662
flat angles C4'-P-C4' energy: -11.512
flat angles P-C4'-P energy: -7.567
tors. eta vs tors. theta energy: -17.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -178.007383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.007383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.007383 (E_RNA)
where:
Base-Base interactions energy: -120.409
where: short stacking energy: -45.830
Base-Backbone interact. energy: -0.124
local terms energy: -57.474281
where:
bonds (distance) C4'-P energy: -11.926
bonds (distance) P-C4' energy: -12.402
flat angles C4'-P-C4' energy: -10.447
flat angles P-C4'-P energy: -8.923
tors. eta vs tors. theta energy: -13.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -171.868365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.868365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.868365 (E_RNA)
where:
Base-Base interactions energy: -110.155
where: short stacking energy: -44.998
Base-Backbone interact. energy: -0.105
local terms energy: -61.608151
where:
bonds (distance) C4'-P energy: -11.405
bonds (distance) P-C4' energy: -12.132
flat angles C4'-P-C4' energy: -12.587
flat angles P-C4'-P energy: -9.996
tors. eta vs tors. theta energy: -15.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -166.330743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.330743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.330743 (E_RNA)
where:
Base-Base interactions energy: -103.542
where: short stacking energy: -38.979
Base-Backbone interact. energy: -0.082
local terms energy: -62.706604
where:
bonds (distance) C4'-P energy: -13.710
bonds (distance) P-C4' energy: -11.023
flat angles C4'-P-C4' energy: -13.373
flat angles P-C4'-P energy: -11.101
tors. eta vs tors. theta energy: -13.501
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: 6
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -164.620155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.620155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.620155 (E_RNA)
where:
Base-Base interactions energy: -108.682
where: short stacking energy: -41.652
Base-Backbone interact. energy: -0.053
local terms energy: -55.885542
where:
bonds (distance) C4'-P energy: -10.970
bonds (distance) P-C4' energy: -9.095
flat angles C4'-P-C4' energy: -13.197
flat angles P-C4'-P energy: -8.961
tors. eta vs tors. theta energy: -13.663
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: 6, replica: 2
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -82.057677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.057677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.057677 (E_RNA)
where:
Base-Base interactions energy: -39.624
where: short stacking energy: -24.515
Base-Backbone interact. energy: -0.167
local terms energy: -42.267095
where:
bonds (distance) C4'-P energy: -10.204
bonds (distance) P-C4' energy: -9.886
flat angles C4'-P-C4' energy: -11.366
flat angles P-C4'-P energy: -6.877
tors. eta vs tors. theta energy: -3.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -64.092898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.092898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.092898 (E_RNA)
where:
Base-Base interactions energy: -22.736
where: short stacking energy: -16.882
Base-Backbone interact. energy: -0.083
local terms energy: -41.273464
where:
bonds (distance) C4'-P energy: -9.875
bonds (distance) P-C4' energy: -11.976
flat angles C4'-P-C4' energy: -12.142
flat angles P-C4'-P energy: -8.529
tors. eta vs tors. theta energy: 1.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -60.084591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.084591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.084591 (E_RNA)
where:
Base-Base interactions energy: -17.701
where: short stacking energy: -15.810
Base-Backbone interact. energy: -0.016
local terms energy: -42.367483
where:
bonds (distance) C4'-P energy: -12.713
bonds (distance) P-C4' energy: -11.004
flat angles C4'-P-C4' energy: -10.115
flat angles P-C4'-P energy: -8.048
tors. eta vs tors. theta energy: -0.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -63.174916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.174916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.174916 (E_RNA)
where:
Base-Base interactions energy: -29.125
where: short stacking energy: -10.838
Base-Backbone interact. energy: -0.317
local terms energy: -33.732969
where:
bonds (distance) C4'-P energy: -12.432
bonds (distance) P-C4' energy: -10.082
flat angles C4'-P-C4' energy: -7.510
flat angles P-C4'-P energy: -4.569
tors. eta vs tors. theta energy: 0.860
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: 10
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -61.599358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.599358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.599358 (E_RNA)
where:
Base-Base interactions energy: -30.041
where: short stacking energy: -8.270
Base-Backbone interact. energy: -0.161
local terms energy: -31.397313
where:
bonds (distance) C4'-P energy: -7.020
bonds (distance) P-C4' energy: -9.911
flat angles C4'-P-C4' energy: -10.792
flat angles P-C4'-P energy: -5.190
tors. eta vs tors. theta energy: 1.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -177.496192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.496192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.496192 (E_RNA)
where:
Base-Base interactions energy: -111.800
where: short stacking energy: -43.560
Base-Backbone interact. energy: -0.058
local terms energy: -65.637250
where:
bonds (distance) C4'-P energy: -13.400
bonds (distance) P-C4' energy: -13.842
flat angles C4'-P-C4' energy: -13.711
flat angles P-C4'-P energy: -8.438
tors. eta vs tors. theta energy: -16.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -181.480080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.480080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.480080 (E_RNA)
where:
Base-Base interactions energy: -120.090
where: short stacking energy: -49.549
Base-Backbone interact. energy: -0.009
local terms energy: -61.380645
where:
bonds (distance) C4'-P energy: -14.501
bonds (distance) P-C4' energy: -13.353
flat angles C4'-P-C4' energy: -9.301
flat angles P-C4'-P energy: -8.193
tors. eta vs tors. theta energy: -16.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -174.843129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.843129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.843129 (E_RNA)
where:
Base-Base interactions energy: -112.831
where: short stacking energy: -47.772
Base-Backbone interact. energy: -0.004
local terms energy: -62.008594
where:
bonds (distance) C4'-P energy: -11.809
bonds (distance) P-C4' energy: -11.980
flat angles C4'-P-C4' energy: -13.805
flat angles P-C4'-P energy: -9.103
tors. eta vs tors. theta energy: -15.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -178.566515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.566515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.566515 (E_RNA)
where:
Base-Base interactions energy: -116.290
where: short stacking energy: -46.044
Base-Backbone interact. energy: -0.916
local terms energy: -61.360897
where:
bonds (distance) C4'-P energy: -8.925
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -12.877
flat angles P-C4'-P energy: -11.236
tors. eta vs tors. theta energy: -14.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -168.122208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.122208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.122208 (E_RNA)
where:
Base-Base interactions energy: -118.527
where: short stacking energy: -49.947
Base-Backbone interact. energy: -0.023
local terms energy: -49.572669
where:
bonds (distance) C4'-P energy: -6.916
bonds (distance) P-C4' energy: -7.897
flat angles C4'-P-C4' energy: -10.106
flat angles P-C4'-P energy: -8.461
tors. eta vs tors. theta energy: -16.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -99.843630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.843630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.843630 (E_RNA)
where:
Base-Base interactions energy: -64.770
where: short stacking energy: -14.523
Base-Backbone interact. energy: 0.144
local terms energy: -35.217940
where:
bonds (distance) C4'-P energy: -9.915
bonds (distance) P-C4' energy: -10.735
flat angles C4'-P-C4' energy: -10.290
flat angles P-C4'-P energy: -6.932
tors. eta vs tors. theta energy: 2.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -65.500075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.500075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.500075 (E_RNA)
where:
Base-Base interactions energy: -23.255
where: short stacking energy: -8.703
Base-Backbone interact. energy: 0.585
local terms energy: -42.829683
where:
bonds (distance) C4'-P energy: -11.897
bonds (distance) P-C4' energy: -15.534
flat angles C4'-P-C4' energy: -6.701
flat angles P-C4'-P energy: -6.915
tors. eta vs tors. theta energy: -1.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -70.514615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.514615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.514615 (E_RNA)
where:
Base-Base interactions energy: -28.356
where: short stacking energy: -16.343
Base-Backbone interact. energy: 2.173
local terms energy: -44.331305
where:
bonds (distance) C4'-P energy: -11.039
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -11.243
flat angles P-C4'-P energy: -6.439
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: 9, replica: 5
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -58.758854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.758854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.758854 (E_RNA)
where:
Base-Base interactions energy: -22.317
where: short stacking energy: -19.106
Base-Backbone interact. energy: -0.304
local terms energy: -36.137994
where:
bonds (distance) C4'-P energy: -11.062
bonds (distance) P-C4' energy: -10.658
flat angles C4'-P-C4' energy: -4.382
flat angles P-C4'-P energy: -9.864
tors. eta vs tors. theta energy: -0.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -59.770557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.770557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.770557 (E_RNA)
where:
Base-Base interactions energy: -21.391
where: short stacking energy: -16.233
Base-Backbone interact. energy: -0.048
local terms energy: -38.331706
where:
bonds (distance) C4'-P energy: -9.024
bonds (distance) P-C4' energy: -15.090
flat angles C4'-P-C4' energy: -9.442
flat angles P-C4'-P energy: -3.715
tors. eta vs tors. theta energy: -1.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -187.197792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.197792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.197792 (E_RNA)
where:
Base-Base interactions energy: -117.937
where: short stacking energy: -48.838
Base-Backbone interact. energy: -1.335
local terms energy: -67.925321
where:
bonds (distance) C4'-P energy: -13.317
bonds (distance) P-C4' energy: -13.113
flat angles C4'-P-C4' energy: -14.774
flat angles P-C4'-P energy: -9.794
tors. eta vs tors. theta energy: -16.927
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: 2, replica: 9
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -175.836485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.836485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.836485 (E_RNA)
where:
Base-Base interactions energy: -113.900
where: short stacking energy: -42.986
Base-Backbone interact. energy: -0.019
local terms energy: -61.917152
where:
bonds (distance) C4'-P energy: -14.004
bonds (distance) P-C4' energy: -14.163
flat angles C4'-P-C4' energy: -12.120
flat angles P-C4'-P energy: -5.580
tors. eta vs tors. theta energy: -16.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -174.199150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.199150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.199150 (E_RNA)
where:
Base-Base interactions energy: -110.847
where: short stacking energy: -44.626
Base-Backbone interact. energy: -1.054
local terms energy: -62.298096
where:
bonds (distance) C4'-P energy: -8.859
bonds (distance) P-C4' energy: -12.098
flat angles C4'-P-C4' energy: -13.939
flat angles P-C4'-P energy: -10.761
tors. eta vs tors. theta energy: -16.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -175.210832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.210832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.210832 (E_RNA)
where:
Base-Base interactions energy: -116.543
where: short stacking energy: -45.208
Base-Backbone interact. energy: -0.003
local terms energy: -58.664308
where:
bonds (distance) C4'-P energy: -10.026
bonds (distance) P-C4' energy: -13.046
flat angles C4'-P-C4' energy: -10.771
flat angles P-C4'-P energy: -10.786
tors. eta vs tors. theta energy: -14.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -168.602140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.602140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.602140 (E_RNA)
where:
Base-Base interactions energy: -107.519
where: short stacking energy: -37.013
Base-Backbone interact. energy: -0.105
local terms energy: -60.978221
where:
bonds (distance) C4'-P energy: -11.099
bonds (distance) P-C4' energy: -13.991
flat angles C4'-P-C4' energy: -12.076
flat angles P-C4'-P energy: -8.827
tors. eta vs tors. theta energy: -14.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -94.957889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.957889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.957889 (E_RNA)
where:
Base-Base interactions energy: -59.649
where: short stacking energy: -14.090
Base-Backbone interact. energy: -0.327
local terms energy: -34.982277
where:
bonds (distance) C4'-P energy: -10.602
bonds (distance) P-C4' energy: -12.327
flat angles C4'-P-C4' energy: -11.341
flat angles P-C4'-P energy: -1.896
tors. eta vs tors. theta energy: 1.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -67.956002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.956002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.956002 (E_RNA)
where:
Base-Base interactions energy: -24.411
where: short stacking energy: -24.411
Base-Backbone interact. energy: -0.014
local terms energy: -43.530477
where:
bonds (distance) C4'-P energy: -11.152
bonds (distance) P-C4' energy: -9.372
flat angles C4'-P-C4' energy: -13.723
flat angles P-C4'-P energy: -4.655
tors. eta vs tors. theta energy: -4.629
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: 4
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -62.422404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.422404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.422404 (E_RNA)
where:
Base-Base interactions energy: -14.787
where: short stacking energy: -15.187
Base-Backbone interact. energy: -0.720
local terms energy: -46.915540
where:
bonds (distance) C4'-P energy: -12.804
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -7.323
flat angles P-C4'-P energy: -8.340
tors. eta vs tors. theta energy: -4.246
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: 9, replica: 10
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -68.601288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.601288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.601288 (E_RNA)
where:
Base-Base interactions energy: -26.743
where: short stacking energy: -10.677
Base-Backbone interact. energy: -0.723
local terms energy: -41.135937
where:
bonds (distance) C4'-P energy: -11.342
bonds (distance) P-C4' energy: -13.097
flat angles C4'-P-C4' energy: -11.151
flat angles P-C4'-P energy: -3.503
tors. eta vs tors. theta energy: -2.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -54.386438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.386438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.386438 (E_RNA)
where:
Base-Base interactions energy: -10.994
where: short stacking energy: -7.523
Base-Backbone interact. energy: -0.267
local terms energy: -43.125131
where:
bonds (distance) C4'-P energy: -12.290
bonds (distance) P-C4' energy: -14.551
flat angles C4'-P-C4' energy: -11.660
flat angles P-C4'-P energy: -6.094
tors. eta vs tors. theta energy: 1.470
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: 1, replica: 7
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -185.757429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.757429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.757429 (E_RNA)
where:
Base-Base interactions energy: -118.120
where: short stacking energy: -51.757
Base-Backbone interact. energy: -0.005
local terms energy: -67.632454
where:
bonds (distance) C4'-P energy: -14.286
bonds (distance) P-C4' energy: -13.113
flat angles C4'-P-C4' energy: -14.105
flat angles P-C4'-P energy: -9.171
tors. eta vs tors. theta energy: -16.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -179.390506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.390506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.390506 (E_RNA)
where:
Base-Base interactions energy: -114.975
where: short stacking energy: -43.516
Base-Backbone interact. energy: -0.004
local terms energy: -64.411214
where:
bonds (distance) C4'-P energy: -11.819
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -13.340
flat angles P-C4'-P energy: -8.803
tors. eta vs tors. theta energy: -16.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -178.535859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.535859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.535859 (E_RNA)
where:
Base-Base interactions energy: -121.007
where: short stacking energy: -42.611
Base-Backbone interact. energy: -0.075
local terms energy: -57.454028
where:
bonds (distance) C4'-P energy: -10.042
bonds (distance) P-C4' energy: -12.271
flat angles C4'-P-C4' energy: -12.552
flat angles P-C4'-P energy: -8.818
tors. eta vs tors. theta energy: -13.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -173.204141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.204141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.204141 (E_RNA)
where:
Base-Base interactions energy: -113.073
where: short stacking energy: -37.851
Base-Backbone interact. energy: -0.031
local terms energy: -60.100605
where:
bonds (distance) C4'-P energy: -8.961
bonds (distance) P-C4' energy: -15.348
flat angles C4'-P-C4' energy: -13.084
flat angles P-C4'-P energy: -9.665
tors. eta vs tors. theta energy: -13.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -166.725168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.725168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.725168 (E_RNA)
where:
Base-Base interactions energy: -106.753
where: short stacking energy: -41.034
Base-Backbone interact. energy: -0.001
local terms energy: -59.970846
where:
bonds (distance) C4'-P energy: -10.585
bonds (distance) P-C4' energy: -11.004
flat angles C4'-P-C4' energy: -12.648
flat angles P-C4'-P energy: -10.491
tors. eta vs tors. theta energy: -15.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -72.892237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.892237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.892237 (E_RNA)
where:
Base-Base interactions energy: -25.476
where: short stacking energy: -16.123
Base-Backbone interact. energy: -0.554
local terms energy: -46.862114
where:
bonds (distance) C4'-P energy: -12.734
bonds (distance) P-C4' energy: -10.311
flat angles C4'-P-C4' energy: -12.700
flat angles P-C4'-P energy: -9.040
tors. eta vs tors. theta energy: -2.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -77.208490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.208490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.208490 (E_RNA)
where:
Base-Base interactions energy: -36.014
where: short stacking energy: -16.911
Base-Backbone interact. energy: 2.228
local terms energy: -43.422495
where:
bonds (distance) C4'-P energy: -11.459
bonds (distance) P-C4' energy: -14.315
flat angles C4'-P-C4' energy: -5.772
flat angles P-C4'-P energy: -7.074
tors. eta vs tors. theta energy: -4.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -74.697892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.697892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.697892 (E_RNA)
where:
Base-Base interactions energy: -34.749
where: short stacking energy: -13.149
Base-Backbone interact. energy: 0.527
local terms energy: -40.475905
where:
bonds (distance) C4'-P energy: -7.393
bonds (distance) P-C4' energy: -13.451
flat angles C4'-P-C4' energy: -13.577
flat angles P-C4'-P energy: -8.098
tors. eta vs tors. theta energy: 2.043
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: 71
Temperature: 1.300000
Total energy: -88.782103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.782103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.782103 (E_RNA)
where:
Base-Base interactions energy: -45.202
where: short stacking energy: -20.516
Base-Backbone interact. energy: -0.118
local terms energy: -43.462629
where:
bonds (distance) C4'-P energy: -8.775
bonds (distance) P-C4' energy: -11.359
flat angles C4'-P-C4' energy: -13.183
flat angles P-C4'-P energy: -6.398
tors. eta vs tors. theta energy: -3.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -60.773615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.773615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.773615 (E_RNA)
where:
Base-Base interactions energy: -16.683
where: short stacking energy: -14.757
Base-Backbone interact. energy: -0.132
local terms energy: -43.958693
where:
bonds (distance) C4'-P energy: -11.541
bonds (distance) P-C4' energy: -12.159
flat angles C4'-P-C4' energy: -10.890
flat angles P-C4'-P energy: -9.578
tors. eta vs tors. theta energy: 0.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -186.310415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.310415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.310415 (E_RNA)
where:
Base-Base interactions energy: -119.874
where: short stacking energy: -49.847
Base-Backbone interact. energy: -0.023
local terms energy: -66.413324
where:
bonds (distance) C4'-P energy: -13.424
bonds (distance) P-C4' energy: -13.010
flat angles C4'-P-C4' energy: -14.508
flat angles P-C4'-P energy: -8.535
tors. eta vs tors. theta energy: -16.936
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: 2, replica: 7
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -180.471114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.471114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.471114 (E_RNA)
where:
Base-Base interactions energy: -118.240
where: short stacking energy: -47.442
Base-Backbone interact. energy: -0.058
local terms energy: -62.172467
where:
bonds (distance) C4'-P energy: -12.316
bonds (distance) P-C4' energy: -11.803
flat angles C4'-P-C4' energy: -12.807
flat angles P-C4'-P energy: -8.553
tors. eta vs tors. theta energy: -16.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -177.979900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.979900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.979900 (E_RNA)
where:
Base-Base interactions energy: -116.370
where: short stacking energy: -48.895
Base-Backbone interact. energy: 1.433
local terms energy: -63.042354
where:
bonds (distance) C4'-P energy: -12.517
bonds (distance) P-C4' energy: -14.703
flat angles C4'-P-C4' energy: -10.986
flat angles P-C4'-P energy: -8.060
tors. eta vs tors. theta energy: -16.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -172.584146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.584146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.584146 (E_RNA)
where:
Base-Base interactions energy: -110.979
where: short stacking energy: -42.293
Base-Backbone interact. energy: -0.094
local terms energy: -61.511196
where:
bonds (distance) C4'-P energy: -11.640
bonds (distance) P-C4' energy: -12.525
flat angles C4'-P-C4' energy: -13.325
flat angles P-C4'-P energy: -6.992
tors. eta vs tors. theta energy: -17.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -166.033878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.033878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.033878 (E_RNA)
where:
Base-Base interactions energy: -109.864
where: short stacking energy: -46.718
Base-Backbone interact. energy: -0.026
local terms energy: -56.143921
where:
bonds (distance) C4'-P energy: -6.661
bonds (distance) P-C4' energy: -13.785
flat angles C4'-P-C4' energy: -12.646
flat angles P-C4'-P energy: -6.760
tors. eta vs tors. theta energy: -16.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -82.983832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.983832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.983832 (E_RNA)
where:
Base-Base interactions energy: -43.354
where: short stacking energy: -22.938
Base-Backbone interact. energy: -0.194
local terms energy: -39.436039
where:
bonds (distance) C4'-P energy: -4.949
bonds (distance) P-C4' energy: -13.821
flat angles C4'-P-C4' energy: -13.496
flat angles P-C4'-P energy: -5.704
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: 7, replica: 10
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -71.766648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.766648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.766648 (E_RNA)
where:
Base-Base interactions energy: -29.313
where: short stacking energy: -7.921
Base-Backbone interact. energy: 0.735
local terms energy: -43.189219
where:
bonds (distance) C4'-P energy: -14.555
bonds (distance) P-C4' energy: -11.765
flat angles C4'-P-C4' energy: -11.891
flat angles P-C4'-P energy: -7.197
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: 8, replica: 2
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -63.515053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.515053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.515053 (E_RNA)
where:
Base-Base interactions energy: -23.365
where: short stacking energy: -17.143
Base-Backbone interact. energy: -0.349
local terms energy: -39.801382
where:
bonds (distance) C4'-P energy: -11.926
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -8.080
flat angles P-C4'-P energy: 1.119
tors. eta vs tors. theta energy: -5.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -67.080649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.080649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.080649 (E_RNA)
where:
Base-Base interactions energy: -24.473
where: short stacking energy: -17.545
Base-Backbone interact. energy: -0.033
local terms energy: -42.573685
where:
bonds (distance) C4'-P energy: -11.346
bonds (distance) P-C4' energy: -11.051
flat angles C4'-P-C4' energy: -10.308
flat angles P-C4'-P energy: -7.615
tors. eta vs tors. theta energy: -2.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -63.553273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.553273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.553273 (E_RNA)
where:
Base-Base interactions energy: -25.629
where: short stacking energy: -17.719
Base-Backbone interact. energy: -0.197
local terms energy: -37.727382
where:
bonds (distance) C4'-P energy: -8.871
bonds (distance) P-C4' energy: -6.207
flat angles C4'-P-C4' energy: -11.134
flat angles P-C4'-P energy: -9.422
tors. eta vs tors. theta energy: -2.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -186.854189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.854189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.854189 (E_RNA)
where:
Base-Base interactions energy: -121.258
where: short stacking energy: -46.743
Base-Backbone interact. energy: -0.326
local terms energy: -65.270472
where:
bonds (distance) C4'-P energy: -12.535
bonds (distance) P-C4' energy: -10.615
flat angles C4'-P-C4' energy: -14.288
flat angles P-C4'-P energy: -11.429
tors. eta vs tors. theta energy: -16.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -174.530787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.530787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.530787 (E_RNA)
where:
Base-Base interactions energy: -111.484
where: short stacking energy: -46.178
Base-Backbone interact. energy: -0.312
local terms energy: -62.734986
where:
bonds (distance) C4'-P energy: -11.569
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -14.491
flat angles P-C4'-P energy: -6.189
tors. eta vs tors. theta energy: -16.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -169.846698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.846698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.846698 (E_RNA)
where:
Base-Base interactions energy: -109.026
where: short stacking energy: -47.849
Base-Backbone interact. energy: -0.014
local terms energy: -60.805994
where:
bonds (distance) C4'-P energy: -9.927
bonds (distance) P-C4' energy: -12.089
flat angles C4'-P-C4' energy: -13.172
flat angles P-C4'-P energy: -7.371
tors. eta vs tors. theta energy: -18.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -158.985651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.985651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.985651 (E_RNA)
where:
Base-Base interactions energy: -104.835
where: short stacking energy: -34.195
Base-Backbone interact. energy: -0.769
local terms energy: -53.381209
where:
bonds (distance) C4'-P energy: -9.003
bonds (distance) P-C4' energy: -9.731
flat angles C4'-P-C4' energy: -12.074
flat angles P-C4'-P energy: -10.273
tors. eta vs tors. theta energy: -12.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -166.561299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.561299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.561299 (E_RNA)
where:
Base-Base interactions energy: -111.134
where: short stacking energy: -41.254
Base-Backbone interact. energy: 0.064
local terms energy: -55.490782
where:
bonds (distance) C4'-P energy: -11.587
bonds (distance) P-C4' energy: -12.352
flat angles C4'-P-C4' energy: -11.776
flat angles P-C4'-P energy: -8.631
tors. eta vs tors. theta energy: -11.144
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: 10
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -81.937514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.937514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.937514 (E_RNA)
where:
Base-Base interactions energy: -32.168
where: short stacking energy: -21.125
Base-Backbone interact. energy: -0.310
local terms energy: -49.459368
where:
bonds (distance) C4'-P energy: -9.425
bonds (distance) P-C4' energy: -13.610
flat angles C4'-P-C4' energy: -12.055
flat angles P-C4'-P energy: -5.965
tors. eta vs tors. theta energy: -8.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -69.104781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.104781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.104781 (E_RNA)
where:
Base-Base interactions energy: -30.183
where: short stacking energy: -7.204
Base-Backbone interact. energy: -0.401
local terms energy: -38.520743
where:
bonds (distance) C4'-P energy: -11.398
bonds (distance) P-C4' energy: -13.713
flat angles C4'-P-C4' energy: -10.488
flat angles P-C4'-P energy: -5.618
tors. eta vs tors. theta energy: 2.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -70.698727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.698727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.698727 (E_RNA)
where:
Base-Base interactions energy: -31.367
where: short stacking energy: -17.214
Base-Backbone interact. energy: 1.050
local terms energy: -40.381948
where:
bonds (distance) C4'-P energy: -10.072
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -9.487
flat angles P-C4'-P energy: -2.303
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: 2
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -55.535197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.535197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.535197 (E_RNA)
where:
Base-Base interactions energy: -17.549
where: short stacking energy: -11.023
Base-Backbone interact. energy: -0.151
local terms energy: -37.835083
where:
bonds (distance) C4'-P energy: -13.372
bonds (distance) P-C4' energy: -10.712
flat angles C4'-P-C4' energy: -8.641
flat angles P-C4'-P energy: -7.155
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: 4
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -62.782119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.782119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.782119 (E_RNA)
where:
Base-Base interactions energy: -23.511
where: short stacking energy: -15.261
Base-Backbone interact. energy: -0.397
local terms energy: -38.874714
where:
bonds (distance) C4'-P energy: -13.056
bonds (distance) P-C4' energy: -12.538
flat angles C4'-P-C4' energy: -10.053
flat angles P-C4'-P energy: -3.653
tors. eta vs tors. theta energy: 0.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -177.544976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.544976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.544976 (E_RNA)
where:
Base-Base interactions energy: -115.045
where: short stacking energy: -47.378
Base-Backbone interact. energy: -0.000
local terms energy: -62.499673
where:
bonds (distance) C4'-P energy: -12.961
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -12.956
flat angles P-C4'-P energy: -5.544
tors. eta vs tors. theta energy: -16.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -179.472205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.472205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.472205 (E_RNA)
where:
Base-Base interactions energy: -111.539
where: short stacking energy: -47.088
Base-Backbone interact. energy: -0.509
local terms energy: -67.423706
where:
bonds (distance) C4'-P energy: -12.026
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -14.695
flat angles P-C4'-P energy: -9.967
tors. eta vs tors. theta energy: -15.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -179.651126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.651126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.651126 (E_RNA)
where:
Base-Base interactions energy: -111.809
where: short stacking energy: -46.568
Base-Backbone interact. energy: -0.014
local terms energy: -67.827880
where:
bonds (distance) C4'-P energy: -13.408
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -13.732
flat angles P-C4'-P energy: -8.978
tors. eta vs tors. theta energy: -16.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -146.075191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.075191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.075191 (E_RNA)
where:
Base-Base interactions energy: -103.157
where: short stacking energy: -35.870
Base-Backbone interact. energy: -0.058
local terms energy: -42.860416
where:
bonds (distance) C4'-P energy: -7.466
bonds (distance) P-C4' energy: -7.475
flat angles C4'-P-C4' energy: -11.811
flat angles P-C4'-P energy: -7.566
tors. eta vs tors. theta energy: -8.542
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: 6
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -170.319033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.319033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.319033 (E_RNA)
where:
Base-Base interactions energy: -110.032
where: short stacking energy: -42.930
Base-Backbone interact. energy: -0.865
local terms energy: -59.421401
where:
bonds (distance) C4'-P energy: -10.498
bonds (distance) P-C4' energy: -12.028
flat angles C4'-P-C4' energy: -14.894
flat angles P-C4'-P energy: -8.699
tors. eta vs tors. theta energy: -13.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -67.635528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.635528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.635528 (E_RNA)
where:
Base-Base interactions energy: -21.543
where: short stacking energy: -12.291
Base-Backbone interact. energy: -0.636
local terms energy: -45.455633
where:
bonds (distance) C4'-P energy: -13.780
bonds (distance) P-C4' energy: -13.631
flat angles C4'-P-C4' energy: -12.426
flat angles P-C4'-P energy: -7.574
tors. eta vs tors. theta energy: 1.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -77.738123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.738123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.738123 (E_RNA)
where:
Base-Base interactions energy: -35.216
where: short stacking energy: -19.793
Base-Backbone interact. energy: -0.132
local terms energy: -42.389929
where:
bonds (distance) C4'-P energy: -9.517
bonds (distance) P-C4' energy: -11.914
flat angles C4'-P-C4' energy: -11.345
flat angles P-C4'-P energy: -7.267
tors. eta vs tors. theta energy: -2.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -63.864270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.864270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.864270 (E_RNA)
where:
Base-Base interactions energy: -22.447
where: short stacking energy: -21.351
Base-Backbone interact. energy: -0.051
local terms energy: -41.365301
where:
bonds (distance) C4'-P energy: -10.789
bonds (distance) P-C4' energy: -10.779
flat angles C4'-P-C4' energy: -8.874
flat angles P-C4'-P energy: -9.479
tors. eta vs tors. theta energy: -1.444
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: 9, replica: 4
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -67.257026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.257026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.257026 (E_RNA)
where:
Base-Base interactions energy: -27.268
where: short stacking energy: -15.530
Base-Backbone interact. energy: -0.195
local terms energy: -39.793923
where:
bonds (distance) C4'-P energy: -10.030
bonds (distance) P-C4' energy: -9.756
flat angles C4'-P-C4' energy: -11.886
flat angles P-C4'-P energy: -6.415
tors. eta vs tors. theta energy: -1.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -54.974146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.974146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.974146 (E_RNA)
where:
Base-Base interactions energy: -14.230
where: short stacking energy: -13.449
Base-Backbone interact. energy: -0.032
local terms energy: -40.712114
where:
bonds (distance) C4'-P energy: -9.255
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -10.352
flat angles P-C4'-P energy: -6.908
tors. eta vs tors. theta energy: -1.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -177.544120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.544120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.544120 (E_RNA)
where:
Base-Base interactions energy: -116.357
where: short stacking energy: -40.260
Base-Backbone interact. energy: -0.012
local terms energy: -61.175078
where:
bonds (distance) C4'-P energy: -10.086
bonds (distance) P-C4' energy: -13.448
flat angles C4'-P-C4' energy: -14.182
flat angles P-C4'-P energy: -10.657
tors. eta vs tors. theta energy: -12.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -178.161345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.161345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.161345 (E_RNA)
where:
Base-Base interactions energy: -115.874
where: short stacking energy: -44.547
Base-Backbone interact. energy: -0.010
local terms energy: -62.277592
where:
bonds (distance) C4'-P energy: -11.726
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -12.412
flat angles P-C4'-P energy: -8.149
tors. eta vs tors. theta energy: -16.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -173.050309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.050309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.050309 (E_RNA)
where:
Base-Base interactions energy: -114.003
where: short stacking energy: -44.668
Base-Backbone interact. energy: -0.022
local terms energy: -59.025250
where:
bonds (distance) C4'-P energy: -11.095
bonds (distance) P-C4' energy: -12.125
flat angles C4'-P-C4' energy: -12.949
flat angles P-C4'-P energy: -7.338
tors. eta vs tors. theta energy: -15.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -168.600791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.600791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.600791 (E_RNA)
where:
Base-Base interactions energy: -108.175
where: short stacking energy: -40.988
Base-Backbone interact. energy: -0.059
local terms energy: -60.367154
where:
bonds (distance) C4'-P energy: -13.976
bonds (distance) P-C4' energy: -11.058
flat angles C4'-P-C4' energy: -12.840
flat angles P-C4'-P energy: -6.961
tors. eta vs tors. theta energy: -15.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -130.987814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.987814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.987814 (E_RNA)
where:
Base-Base interactions energy: -82.842
where: short stacking energy: -23.835
Base-Backbone interact. energy: -0.114
local terms energy: -48.030982
where:
bonds (distance) C4'-P energy: -13.078
bonds (distance) P-C4' energy: -10.201
flat angles C4'-P-C4' energy: -10.341
flat angles P-C4'-P energy: -5.563
tors. eta vs tors. theta energy: -8.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -67.359760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.359760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.359760 (E_RNA)
where:
Base-Base interactions energy: -19.504
where: short stacking energy: -19.504
Base-Backbone interact. energy: -0.030
local terms energy: -47.825714
where:
bonds (distance) C4'-P energy: -11.144
bonds (distance) P-C4' energy: -12.271
flat angles C4'-P-C4' energy: -13.918
flat angles P-C4'-P energy: -9.895
tors. eta vs tors. theta energy: -0.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -69.790437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.790437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.790437 (E_RNA)
where:
Base-Base interactions energy: -23.342
where: short stacking energy: -18.332
Base-Backbone interact. energy: -0.025
local terms energy: -46.423588
where:
bonds (distance) C4'-P energy: -11.206
bonds (distance) P-C4' energy: -11.243
flat angles C4'-P-C4' energy: -12.343
flat angles P-C4'-P energy: -6.528
tors. eta vs tors. theta energy: -5.103
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: 4
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -79.934648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.934648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.934648 (E_RNA)
where:
Base-Base interactions energy: -42.096
where: short stacking energy: -18.633
Base-Backbone interact. energy: -0.295
local terms energy: -37.543849
where:
bonds (distance) C4'-P energy: -7.781
bonds (distance) P-C4' energy: -10.673
flat angles C4'-P-C4' energy: -13.632
flat angles P-C4'-P energy: -4.905
tors. eta vs tors. theta energy: -0.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -55.508172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.508172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.508172 (E_RNA)
where:
Base-Base interactions energy: -19.109
where: short stacking energy: -15.352
Base-Backbone interact. energy: -0.047
local terms energy: -36.351957
where:
bonds (distance) C4'-P energy: -7.524
bonds (distance) P-C4' energy: -11.914
flat angles C4'-P-C4' energy: -10.539
flat angles P-C4'-P energy: -3.875
tors. eta vs tors. theta energy: -2.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -54.045629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.045629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.045629 (E_RNA)
where:
Base-Base interactions energy: -16.646
where: short stacking energy: -15.206
Base-Backbone interact. energy: -0.459
local terms energy: -36.940785
where:
bonds (distance) C4'-P energy: -7.584
bonds (distance) P-C4' energy: -11.227
flat angles C4'-P-C4' energy: -9.815
flat angles P-C4'-P energy: -7.359
tors. eta vs tors. theta energy: -0.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -182.520000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.520000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.520000 (E_RNA)
where:
Base-Base interactions energy: -124.055
where: short stacking energy: -46.368
Base-Backbone interact. energy: -0.034
local terms energy: -58.430725
where:
bonds (distance) C4'-P energy: -8.648
bonds (distance) P-C4' energy: -14.107
flat angles C4'-P-C4' energy: -12.114
flat angles P-C4'-P energy: -6.825
tors. eta vs tors. theta energy: -16.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -182.531944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.531944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.531944 (E_RNA)
where:
Base-Base interactions energy: -114.895
where: short stacking energy: -51.610
Base-Backbone interact. energy: -0.033
local terms energy: -67.604616
where:
bonds (distance) C4'-P energy: -13.773
bonds (distance) P-C4' energy: -13.364
flat angles C4'-P-C4' energy: -12.423
flat angles P-C4'-P energy: -11.624
tors. eta vs tors. theta energy: -16.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -171.950202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.950202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.950202 (E_RNA)
where:
Base-Base interactions energy: -109.440
where: short stacking energy: -45.806
Base-Backbone interact. energy: -0.001
local terms energy: -62.509806
where:
bonds (distance) C4'-P energy: -11.292
bonds (distance) P-C4' energy: -13.631
flat angles C4'-P-C4' energy: -12.344
flat angles P-C4'-P energy: -8.387
tors. eta vs tors. theta energy: -16.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -173.796500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.796500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.796500 (E_RNA)
where:
Base-Base interactions energy: -116.996
where: short stacking energy: -48.571
Base-Backbone interact. energy: -0.012
local terms energy: -56.788926
where:
bonds (distance) C4'-P energy: -7.451
bonds (distance) P-C4' energy: -10.791
flat angles C4'-P-C4' energy: -13.226
flat angles P-C4'-P energy: -10.898
tors. eta vs tors. theta energy: -14.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -174.552733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.552733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.552733 (E_RNA)
where:
Base-Base interactions energy: -111.613
where: short stacking energy: -48.390
Base-Backbone interact. energy: -0.001
local terms energy: -62.938951
where:
bonds (distance) C4'-P energy: -8.540
bonds (distance) P-C4' energy: -13.328
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -10.023
tors. eta vs tors. theta energy: -16.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -73.175017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.175017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.175017 (E_RNA)
where:
Base-Base interactions energy: -22.938
where: short stacking energy: -15.928
Base-Backbone interact. energy: -0.001
local terms energy: -50.236211
where:
bonds (distance) C4'-P energy: -12.965
bonds (distance) P-C4' energy: -10.854
flat angles C4'-P-C4' energy: -12.736
flat angles P-C4'-P energy: -11.053
tors. eta vs tors. theta energy: -2.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -76.950409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.950409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.950409 (E_RNA)
where:
Base-Base interactions energy: -26.084
where: short stacking energy: -20.713
Base-Backbone interact. energy: -0.000
local terms energy: -50.865628
where:
bonds (distance) C4'-P energy: -11.722
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -11.259
flat angles P-C4'-P energy: -8.060
tors. eta vs tors. theta energy: -5.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -59.953520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.953520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.953520 (E_RNA)
where:
Base-Base interactions energy: -17.379
where: short stacking energy: -17.379
Base-Backbone interact. energy: -0.050
local terms energy: -42.524206
where:
bonds (distance) C4'-P energy: -10.920
bonds (distance) P-C4' energy: -11.948
flat angles C4'-P-C4' energy: -9.521
flat angles P-C4'-P energy: -7.327
tors. eta vs tors. theta energy: -2.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -56.628046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.628046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.628046 (E_RNA)
where:
Base-Base interactions energy: -17.043
where: short stacking energy: -13.826
Base-Backbone interact. energy: -0.005
local terms energy: -39.580627
where:
bonds (distance) C4'-P energy: -12.439
bonds (distance) P-C4' energy: -10.597
flat angles C4'-P-C4' energy: -13.765
flat angles P-C4'-P energy: -4.847
tors. eta vs tors. theta energy: 2.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -56.492079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.492079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.492079 (E_RNA)
where:
Base-Base interactions energy: -18.118
where: short stacking energy: -12.967
Base-Backbone interact. energy: -0.337
local terms energy: -38.036726
where:
bonds (distance) C4'-P energy: -11.752
bonds (distance) P-C4' energy: -13.815
flat angles C4'-P-C4' energy: -7.560
flat angles P-C4'-P energy: -6.125
tors. eta vs tors. theta energy: 1.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -177.578230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.578230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.578230 (E_RNA)
where:
Base-Base interactions energy: -124.703
where: short stacking energy: -43.224
Base-Backbone interact. energy: -0.045
local terms energy: -52.830802
where:
bonds (distance) C4'-P energy: -6.577
bonds (distance) P-C4' energy: -12.482
flat angles C4'-P-C4' energy: -13.696
flat angles P-C4'-P energy: -7.414
tors. eta vs tors. theta energy: -12.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -182.871211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.871211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.871211 (E_RNA)
where:
Base-Base interactions energy: -115.786
where: short stacking energy: -47.129
Base-Backbone interact. energy: -0.016
local terms energy: -67.068408
where:
bonds (distance) C4'-P energy: -11.831
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -13.616
flat angles P-C4'-P energy: -9.911
tors. eta vs tors. theta energy: -17.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -172.653145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.653145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.653145 (E_RNA)
where:
Base-Base interactions energy: -113.576
where: short stacking energy: -43.815
Base-Backbone interact. energy: -0.001
local terms energy: -59.076270
where:
bonds (distance) C4'-P energy: -12.261
bonds (distance) P-C4' energy: -11.785
flat angles C4'-P-C4' energy: -11.815
flat angles P-C4'-P energy: -8.994
tors. eta vs tors. theta energy: -14.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -170.453149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.453149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.453149 (E_RNA)
where:
Base-Base interactions energy: -108.893
where: short stacking energy: -41.108
Base-Backbone interact. energy: -0.002
local terms energy: -61.558243
where:
bonds (distance) C4'-P energy: -11.186
bonds (distance) P-C4' energy: -13.043
flat angles C4'-P-C4' energy: -10.779
flat angles P-C4'-P energy: -11.768
tors. eta vs tors. theta energy: -14.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -146.520928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.520928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.520928 (E_RNA)
where:
Base-Base interactions energy: -100.179
where: short stacking energy: -33.656
Base-Backbone interact. energy: -0.014
local terms energy: -46.327928
where:
bonds (distance) C4'-P energy: -6.917
bonds (distance) P-C4' energy: -10.637
flat angles C4'-P-C4' energy: -9.261
flat angles P-C4'-P energy: -4.436
tors. eta vs tors. theta energy: -15.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -68.132272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.132272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.132272 (E_RNA)
where:
Base-Base interactions energy: -30.015
where: short stacking energy: -14.040
Base-Backbone interact. energy: 0.026
local terms energy: -38.143113
where:
bonds (distance) C4'-P energy: -12.779
bonds (distance) P-C4' energy: -12.649
flat angles C4'-P-C4' energy: -10.996
flat angles P-C4'-P energy: -4.911
tors. eta vs tors. theta energy: 3.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -69.247684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.247684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.247684 (E_RNA)
where:
Base-Base interactions energy: -16.467
where: short stacking energy: -13.704
Base-Backbone interact. energy: 0.761
local terms energy: -53.541288
where:
bonds (distance) C4'-P energy: -12.687
bonds (distance) P-C4' energy: -12.169
flat angles C4'-P-C4' energy: -12.303
flat angles P-C4'-P energy: -9.033
tors. eta vs tors. theta energy: -7.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -65.937780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.937780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.937780 (E_RNA)
where:
Base-Base interactions energy: -19.014
where: short stacking energy: -8.863
Base-Backbone interact. energy: -0.732
local terms energy: -46.191184
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -13.484
flat angles C4'-P-C4' energy: -5.544
flat angles P-C4'-P energy: -10.007
tors. eta vs tors. theta energy: -3.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -64.248691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.248691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.248691 (E_RNA)
where:
Base-Base interactions energy: -26.243
where: short stacking energy: -12.173
Base-Backbone interact. energy: -0.369
local terms energy: -37.636460
where:
bonds (distance) C4'-P energy: -11.830
bonds (distance) P-C4' energy: -10.763
flat angles C4'-P-C4' energy: -6.932
flat angles P-C4'-P energy: -6.199
tors. eta vs tors. theta energy: -1.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -56.242140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.242140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.242140 (E_RNA)
where:
Base-Base interactions energy: -16.559
where: short stacking energy: -9.315
Base-Backbone interact. energy: 0.230
local terms energy: -39.913558
where:
bonds (distance) C4'-P energy: -11.189
bonds (distance) P-C4' energy: -9.501
flat angles C4'-P-C4' energy: -12.525
flat angles P-C4'-P energy: -9.053
tors. eta vs tors. theta energy: 2.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -183.890183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.890183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.890183 (E_RNA)
where:
Base-Base interactions energy: -116.567
where: short stacking energy: -49.116
Base-Backbone interact. energy: -0.044
local terms energy: -67.280026
where:
bonds (distance) C4'-P energy: -12.978
bonds (distance) P-C4' energy: -11.591
flat angles C4'-P-C4' energy: -14.457
flat angles P-C4'-P energy: -10.029
tors. eta vs tors. theta energy: -18.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -176.547893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.547893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.547893 (E_RNA)
where:
Base-Base interactions energy: -117.534
where: short stacking energy: -40.771
Base-Backbone interact. energy: 1.312
local terms energy: -60.326125
where:
bonds (distance) C4'-P energy: -14.563
bonds (distance) P-C4' energy: -9.915
flat angles C4'-P-C4' energy: -13.345
flat angles P-C4'-P energy: -7.176
tors. eta vs tors. theta energy: -15.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -174.614376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.614376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.614376 (E_RNA)
where:
Base-Base interactions energy: -117.955
where: short stacking energy: -47.036
Base-Backbone interact. energy: -0.002
local terms energy: -56.657825
where:
bonds (distance) C4'-P energy: -11.338
bonds (distance) P-C4' energy: -9.622
flat angles C4'-P-C4' energy: -12.050
flat angles P-C4'-P energy: -6.225
tors. eta vs tors. theta energy: -17.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -159.302610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.302610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.302610 (E_RNA)
where:
Base-Base interactions energy: -102.217
where: short stacking energy: -40.763
Base-Backbone interact. energy: -0.017
local terms energy: -57.068192
where:
bonds (distance) C4'-P energy: -9.603
bonds (distance) P-C4' energy: -13.444
flat angles C4'-P-C4' energy: -12.126
flat angles P-C4'-P energy: -8.022
tors. eta vs tors. theta energy: -13.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -155.013189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.013189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.013189 (E_RNA)
where:
Base-Base interactions energy: -99.948
where: short stacking energy: -36.267
Base-Backbone interact. energy: -0.167
local terms energy: -54.897504
where:
bonds (distance) C4'-P energy: -10.274
bonds (distance) P-C4' energy: -10.332
flat angles C4'-P-C4' energy: -13.195
flat angles P-C4'-P energy: -6.465
tors. eta vs tors. theta energy: -14.631
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: 6, replica: 4
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -87.935733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.935733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.935733 (E_RNA)
where:
Base-Base interactions energy: -36.416
where: short stacking energy: -14.045
Base-Backbone interact. energy: -0.510
local terms energy: -51.009350
where:
bonds (distance) C4'-P energy: -12.245
bonds (distance) P-C4' energy: -13.180
flat angles C4'-P-C4' energy: -11.600
flat angles P-C4'-P energy: -8.158
tors. eta vs tors. theta energy: -5.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -64.963541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.963541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.963541 (E_RNA)
where:
Base-Base interactions energy: -25.764
where: short stacking energy: -16.742
Base-Backbone interact. energy: 0.096
local terms energy: -39.295657
where:
bonds (distance) C4'-P energy: -11.363
bonds (distance) P-C4' energy: -11.026
flat angles C4'-P-C4' energy: -7.609
flat angles P-C4'-P energy: -5.401
tors. eta vs tors. theta energy: -3.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -70.067017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.067017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.067017 (E_RNA)
where:
Base-Base interactions energy: -27.020
where: short stacking energy: -26.621
Base-Backbone interact. energy: -0.092
local terms energy: -42.955284
where:
bonds (distance) C4'-P energy: -9.939
bonds (distance) P-C4' energy: -11.939
flat angles C4'-P-C4' energy: -8.494
flat angles P-C4'-P energy: -8.934
tors. eta vs tors. theta energy: -3.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -62.507601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.507601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.507601 (E_RNA)
where:
Base-Base interactions energy: -33.807
where: short stacking energy: -17.650
Base-Backbone interact. energy: -0.204
local terms energy: -28.496359
where:
bonds (distance) C4'-P energy: -7.501
bonds (distance) P-C4' energy: -9.643
flat angles C4'-P-C4' energy: -6.056
flat angles P-C4'-P energy: -4.354
tors. eta vs tors. theta energy: -0.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -56.716082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.716082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.716082 (E_RNA)
where:
Base-Base interactions energy: -22.831
where: short stacking energy: -14.189
Base-Backbone interact. energy: 0.326
local terms energy: -34.211197
where:
bonds (distance) C4'-P energy: -9.273
bonds (distance) P-C4' energy: -10.122
flat angles C4'-P-C4' energy: -11.651
flat angles P-C4'-P energy: -3.785
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: 9
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -179.066753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.066753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.066753 (E_RNA)
where:
Base-Base interactions energy: -115.412
where: short stacking energy: -44.444
Base-Backbone interact. energy: -0.001
local terms energy: -63.653451
where:
bonds (distance) C4'-P energy: -13.648
bonds (distance) P-C4' energy: -11.212
flat angles C4'-P-C4' energy: -12.382
flat angles P-C4'-P energy: -10.493
tors. eta vs tors. theta energy: -15.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -179.209447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.209447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.209447 (E_RNA)
where:
Base-Base interactions energy: -109.775
where: short stacking energy: -42.218
Base-Backbone interact. energy: 0.177
local terms energy: -69.611127
where:
bonds (distance) C4'-P energy: -13.913
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -12.478
flat angles P-C4'-P energy: -12.424
tors. eta vs tors. theta energy: -16.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -181.936436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.936436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.936436 (E_RNA)
where:
Base-Base interactions energy: -118.741
where: short stacking energy: -50.306
Base-Backbone interact. energy: -1.339
local terms energy: -61.856599
where:
bonds (distance) C4'-P energy: -11.951
bonds (distance) P-C4' energy: -11.433
flat angles C4'-P-C4' energy: -13.000
flat angles P-C4'-P energy: -9.596
tors. eta vs tors. theta energy: -15.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -172.845847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.845847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.845847 (E_RNA)
where:
Base-Base interactions energy: -112.956
where: short stacking energy: -44.912
Base-Backbone interact. energy: -0.152
local terms energy: -59.737563
where:
bonds (distance) C4'-P energy: -9.363
bonds (distance) P-C4' energy: -11.166
flat angles C4'-P-C4' energy: -14.042
flat angles P-C4'-P energy: -8.929
tors. eta vs tors. theta energy: -16.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -145.902241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.902241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.902241 (E_RNA)
where:
Base-Base interactions energy: -98.033
where: short stacking energy: -35.505
Base-Backbone interact. energy: 0.023
local terms energy: -47.891800
where:
bonds (distance) C4'-P energy: -4.657
bonds (distance) P-C4' energy: -12.430
flat angles C4'-P-C4' energy: -9.286
flat angles P-C4'-P energy: -10.048
tors. eta vs tors. theta energy: -11.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -79.209679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.209679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.209679 (E_RNA)
where:
Base-Base interactions energy: -34.444
where: short stacking energy: -7.596
Base-Backbone interact. energy: 0.203
local terms energy: -44.968607
where:
bonds (distance) C4'-P energy: -13.764
bonds (distance) P-C4' energy: -13.672
flat angles C4'-P-C4' energy: -9.327
flat angles P-C4'-P energy: -6.277
tors. eta vs tors. theta energy: -1.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -71.831483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.831483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.831483 (E_RNA)
where:
Base-Base interactions energy: -37.382
where: short stacking energy: -12.664
Base-Backbone interact. energy: -0.230
local terms energy: -34.219082
where:
bonds (distance) C4'-P energy: -12.435
bonds (distance) P-C4' energy: -7.468
flat angles C4'-P-C4' energy: -8.691
flat angles P-C4'-P energy: -8.055
tors. eta vs tors. theta energy: 2.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -56.466797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.466797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.466797 (E_RNA)
where:
Base-Base interactions energy: -17.345
where: short stacking energy: -12.994
Base-Backbone interact. energy: -0.306
local terms energy: -38.815037
where:
bonds (distance) C4'-P energy: -9.289
bonds (distance) P-C4' energy: -11.530
flat angles C4'-P-C4' energy: -9.220
flat angles P-C4'-P energy: -9.558
tors. eta vs tors. theta energy: 0.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -56.517122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.517122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.517122 (E_RNA)
where:
Base-Base interactions energy: -15.603
where: short stacking energy: -15.603
Base-Backbone interact. energy: -0.041
local terms energy: -40.873218
where:
bonds (distance) C4'-P energy: -10.238
bonds (distance) P-C4' energy: -10.079
flat angles C4'-P-C4' energy: -12.784
flat angles P-C4'-P energy: -4.025
tors. eta vs tors. theta energy: -3.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -70.727727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.727727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.727727 (E_RNA)
where:
Base-Base interactions energy: -18.506
where: short stacking energy: -16.650
Base-Backbone interact. energy: -0.028
local terms energy: -52.193457
where:
bonds (distance) C4'-P energy: -9.651
bonds (distance) P-C4' energy: -15.380
flat angles C4'-P-C4' energy: -12.891
flat angles P-C4'-P energy: -10.152
tors. eta vs tors. theta energy: -4.120
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: 1
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -179.114918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.114918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.114918 (E_RNA)
where:
Base-Base interactions energy: -121.868
where: short stacking energy: -43.144
Base-Backbone interact. energy: -0.094
local terms energy: -57.153118
where:
bonds (distance) C4'-P energy: -12.873
bonds (distance) P-C4' energy: -11.905
flat angles C4'-P-C4' energy: -11.785
flat angles P-C4'-P energy: -7.307
tors. eta vs tors. theta energy: -13.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -177.402810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.402810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.402810 (E_RNA)
where:
Base-Base interactions energy: -114.402
where: short stacking energy: -47.502
Base-Backbone interact. energy: -0.789
local terms energy: -62.211469
where:
bonds (distance) C4'-P energy: -11.873
bonds (distance) P-C4' energy: -12.005
flat angles C4'-P-C4' energy: -11.520
flat angles P-C4'-P energy: -9.012
tors. eta vs tors. theta energy: -17.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -177.561376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.561376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.561376 (E_RNA)
where:
Base-Base interactions energy: -118.509
where: short stacking energy: -52.048
Base-Backbone interact. energy: -0.024
local terms energy: -59.028098
where:
bonds (distance) C4'-P energy: -12.328
bonds (distance) P-C4' energy: -11.342
flat angles C4'-P-C4' energy: -13.567
flat angles P-C4'-P energy: -7.404
tors. eta vs tors. theta energy: -14.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -176.810649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.810649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.810649 (E_RNA)
where:
Base-Base interactions energy: -111.239
where: short stacking energy: -48.915
Base-Backbone interact. energy: -0.870
local terms energy: -64.701904
where:
bonds (distance) C4'-P energy: -13.354
bonds (distance) P-C4' energy: -13.244
flat angles C4'-P-C4' energy: -11.154
flat angles P-C4'-P energy: -11.680
tors. eta vs tors. theta energy: -15.269
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: 5, replica: 6
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -173.271985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.271985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.271985 (E_RNA)
where:
Base-Base interactions energy: -114.825
where: short stacking energy: -48.190
Base-Backbone interact. energy: -0.003
local terms energy: -58.443318
where:
bonds (distance) C4'-P energy: -8.708
bonds (distance) P-C4' energy: -12.233
flat angles C4'-P-C4' energy: -13.294
flat angles P-C4'-P energy: -8.072
tors. eta vs tors. theta energy: -16.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -83.364466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.364466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.364466 (E_RNA)
where:
Base-Base interactions energy: -49.996
where: short stacking energy: -11.221
Base-Backbone interact. energy: -0.501
local terms energy: -32.867898
where:
bonds (distance) C4'-P energy: -11.749
bonds (distance) P-C4' energy: -7.775
flat angles C4'-P-C4' energy: -8.219
flat angles P-C4'-P energy: -3.743
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: 7, replica: 8
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -75.110122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.110122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.110122 (E_RNA)
where:
Base-Base interactions energy: -34.186
where: short stacking energy: -14.718
Base-Backbone interact. energy: -0.940
local terms energy: -39.983588
where:
bonds (distance) C4'-P energy: -10.311
bonds (distance) P-C4' energy: -8.172
flat angles C4'-P-C4' energy: -11.691
flat angles P-C4'-P energy: -6.917
tors. eta vs tors. theta energy: -2.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -93.962542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.962542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.962542 (E_RNA)
where:
Base-Base interactions energy: -67.265
where: short stacking energy: -19.302
Base-Backbone interact. energy: -0.079
local terms energy: -26.618986
where:
bonds (distance) C4'-P energy: -10.895
bonds (distance) P-C4' energy: -6.526
flat angles C4'-P-C4' energy: -7.001
flat angles P-C4'-P energy: 0.600
tors. eta vs tors. theta energy: -2.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -76.697245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.697245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.697245 (E_RNA)
where:
Base-Base interactions energy: -36.305
where: short stacking energy: -18.511
Base-Backbone interact. energy: -0.012
local terms energy: -40.381157
where:
bonds (distance) C4'-P energy: -12.548
bonds (distance) P-C4' energy: -11.259
flat angles C4'-P-C4' energy: -9.769
flat angles P-C4'-P energy: -3.530
tors. eta vs tors. theta energy: -3.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -63.086361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.086361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.086361 (E_RNA)
where:
Base-Base interactions energy: -21.469
where: short stacking energy: -19.394
Base-Backbone interact. energy: -0.021
local terms energy: -41.596280
where:
bonds (distance) C4'-P energy: -9.372
bonds (distance) P-C4' energy: -11.352
flat angles C4'-P-C4' energy: -8.039
flat angles P-C4'-P energy: -8.333
tors. eta vs tors. theta energy: -4.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -177.845493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.845493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.845493 (E_RNA)
where:
Base-Base interactions energy: -115.553
where: short stacking energy: -44.851
Base-Backbone interact. energy: -0.002
local terms energy: -62.290486
where:
bonds (distance) C4'-P energy: -11.686
bonds (distance) P-C4' energy: -13.357
flat angles C4'-P-C4' energy: -11.487
flat angles P-C4'-P energy: -8.621
tors. eta vs tors. theta energy: -17.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -175.723879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.723879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.723879 (E_RNA)
where:
Base-Base interactions energy: -116.939
where: short stacking energy: -43.739
Base-Backbone interact. energy: -0.011
local terms energy: -58.773158
where:
bonds (distance) C4'-P energy: -13.292
bonds (distance) P-C4' energy: -9.640
flat angles C4'-P-C4' energy: -10.528
flat angles P-C4'-P energy: -10.376
tors. eta vs tors. theta energy: -14.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -174.128246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.128246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.128246 (E_RNA)
where:
Base-Base interactions energy: -108.578
where: short stacking energy: -42.885
Base-Backbone interact. energy: -0.003
local terms energy: -65.547411
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -14.029
flat angles C4'-P-C4' energy: -12.144
flat angles P-C4'-P energy: -9.932
tors. eta vs tors. theta energy: -16.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -165.443449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.443449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.443449 (E_RNA)
where:
Base-Base interactions energy: -99.854
where: short stacking energy: -41.548
Base-Backbone interact. energy: -0.064
local terms energy: -65.525419
where:
bonds (distance) C4'-P energy: -14.145
bonds (distance) P-C4' energy: -12.141
flat angles C4'-P-C4' energy: -12.976
flat angles P-C4'-P energy: -10.865
tors. eta vs tors. theta energy: -15.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -167.205201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.205201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.205201 (E_RNA)
where:
Base-Base interactions energy: -112.376
where: short stacking energy: -46.811
Base-Backbone interact. energy: -0.403
local terms energy: -54.426075
where:
bonds (distance) C4'-P energy: -8.792
bonds (distance) P-C4' energy: -12.458
flat angles C4'-P-C4' energy: -5.409
flat angles P-C4'-P energy: -10.612
tors. eta vs tors. theta energy: -17.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -69.463804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.463804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.463804 (E_RNA)
where:
Base-Base interactions energy: -21.435
where: short stacking energy: -15.773
Base-Backbone interact. energy: -1.881
local terms energy: -46.147852
where:
bonds (distance) C4'-P energy: -11.300
bonds (distance) P-C4' energy: -12.187
flat angles C4'-P-C4' energy: -9.840
flat angles P-C4'-P energy: -10.099
tors. eta vs tors. theta energy: -2.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -67.999370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.999370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.999370 (E_RNA)
where:
Base-Base interactions energy: -36.987
where: short stacking energy: -13.090
Base-Backbone interact. energy: -0.118
local terms energy: -30.894701
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -8.666
flat angles C4'-P-C4' energy: -3.309
flat angles P-C4'-P energy: -7.307
tors. eta vs tors. theta energy: 0.955
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: 10
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -91.934062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.934062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.934062 (E_RNA)
where:
Base-Base interactions energy: -57.102
where: short stacking energy: -18.891
Base-Backbone interact. energy: -0.078
local terms energy: -34.754770
where:
bonds (distance) C4'-P energy: -9.401
bonds (distance) P-C4' energy: -13.333
flat angles C4'-P-C4' energy: -11.981
flat angles P-C4'-P energy: -1.362
tors. eta vs tors. theta energy: 1.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -66.780163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.780163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.780163 (E_RNA)
where:
Base-Base interactions energy: -26.042
where: short stacking energy: -17.618
Base-Backbone interact. energy: -0.568
local terms energy: -40.170877
where:
bonds (distance) C4'-P energy: -8.920
bonds (distance) P-C4' energy: -13.811
flat angles C4'-P-C4' energy: -8.075
flat angles P-C4'-P energy: -10.659
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: 10, replica: 5
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -61.220036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.220036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.220036 (E_RNA)
where:
Base-Base interactions energy: -24.158
where: short stacking energy: -21.419
Base-Backbone interact. energy: -0.183
local terms energy: -36.878987
where:
bonds (distance) C4'-P energy: -10.665
bonds (distance) P-C4' energy: -13.113
flat angles C4'-P-C4' energy: -10.725
flat angles P-C4'-P energy: -4.653
tors. eta vs tors. theta energy: 2.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -182.859997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.859997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.859997 (E_RNA)
where:
Base-Base interactions energy: -125.111
where: short stacking energy: -47.799
Base-Backbone interact. energy: -0.003
local terms energy: -57.745548
where:
bonds (distance) C4'-P energy: -9.728
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -10.976
flat angles P-C4'-P energy: -9.076
tors. eta vs tors. theta energy: -14.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -177.148137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.148137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.148137 (E_RNA)
where:
Base-Base interactions energy: -116.108
where: short stacking energy: -47.978
Base-Backbone interact. energy: -0.017
local terms energy: -61.023607
where:
bonds (distance) C4'-P energy: -10.609
bonds (distance) P-C4' energy: -13.775
flat angles C4'-P-C4' energy: -12.534
flat angles P-C4'-P energy: -9.217
tors. eta vs tors. theta energy: -14.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -171.681471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.681471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.681471 (E_RNA)
where:
Base-Base interactions energy: -114.462
where: short stacking energy: -48.556
Base-Backbone interact. energy: 0.070
local terms energy: -57.288966
where:
bonds (distance) C4'-P energy: -11.420
bonds (distance) P-C4' energy: -12.627
flat angles C4'-P-C4' energy: -8.867
flat angles P-C4'-P energy: -8.895
tors. eta vs tors. theta energy: -15.479
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: 9
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -168.445449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.445449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.445449 (E_RNA)
where:
Base-Base interactions energy: -112.364
where: short stacking energy: -43.511
Base-Backbone interact. energy: -0.104
local terms energy: -55.976668
where:
bonds (distance) C4'-P energy: -12.688
bonds (distance) P-C4' energy: -11.010
flat angles C4'-P-C4' energy: -9.390
flat angles P-C4'-P energy: -9.756
tors. eta vs tors. theta energy: -13.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -170.521694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.521694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.521694 (E_RNA)
where:
Base-Base interactions energy: -110.107
where: short stacking energy: -39.858
Base-Backbone interact. energy: -0.061
local terms energy: -60.353123
where:
bonds (distance) C4'-P energy: -10.141
bonds (distance) P-C4' energy: -13.318
flat angles C4'-P-C4' energy: -12.920
flat angles P-C4'-P energy: -9.357
tors. eta vs tors. theta energy: -14.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -81.622301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.622301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.622301 (E_RNA)
where:
Base-Base interactions energy: -29.715
where: short stacking energy: -22.369
Base-Backbone interact. energy: -0.860
local terms energy: -51.046577
where:
bonds (distance) C4'-P energy: -12.369
bonds (distance) P-C4' energy: -14.576
flat angles C4'-P-C4' energy: -9.690
flat angles P-C4'-P energy: -8.902
tors. eta vs tors. theta energy: -5.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -69.210485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.210485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.210485 (E_RNA)
where:
Base-Base interactions energy: -28.659
where: short stacking energy: -18.881
Base-Backbone interact. energy: 0.066
local terms energy: -40.617386
where:
bonds (distance) C4'-P energy: -9.252
bonds (distance) P-C4' energy: -13.339
flat angles C4'-P-C4' energy: -9.649
flat angles P-C4'-P energy: -5.465
tors. eta vs tors. theta energy: -2.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -61.268525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.268525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.268525 (E_RNA)
where:
Base-Base interactions energy: -16.375
where: short stacking energy: -8.849
Base-Backbone interact. energy: -0.124
local terms energy: -44.768981
where:
bonds (distance) C4'-P energy: -11.186
bonds (distance) P-C4' energy: -8.237
flat angles C4'-P-C4' energy: -14.092
flat angles P-C4'-P energy: -9.389
tors. eta vs tors. theta energy: -1.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -59.822208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.822208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.822208 (E_RNA)
where:
Base-Base interactions energy: -16.696
where: short stacking energy: -13.343
Base-Backbone interact. energy: -0.193
local terms energy: -42.933504
where:
bonds (distance) C4'-P energy: -11.938
bonds (distance) P-C4' energy: -13.408
flat angles C4'-P-C4' energy: -10.744
flat angles P-C4'-P energy: -4.556
tors. eta vs tors. theta energy: -2.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -57.229313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.229313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.229313 (E_RNA)
where:
Base-Base interactions energy: -18.777
where: short stacking energy: -16.336
Base-Backbone interact. energy: -0.003
local terms energy: -38.448790
where:
bonds (distance) C4'-P energy: -6.953
bonds (distance) P-C4' energy: -11.644
flat angles C4'-P-C4' energy: -9.413
flat angles P-C4'-P energy: -3.271
tors. eta vs tors. theta energy: -7.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -174.751163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.751163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.751163 (E_RNA)
where:
Base-Base interactions energy: -118.072
where: short stacking energy: -50.528
Base-Backbone interact. energy: -0.023
local terms energy: -56.655871
where:
bonds (distance) C4'-P energy: -8.755
bonds (distance) P-C4' energy: -14.113
flat angles C4'-P-C4' energy: -9.895
flat angles P-C4'-P energy: -7.606
tors. eta vs tors. theta energy: -16.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -186.749257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.749257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.749257 (E_RNA)
where:
Base-Base interactions energy: -121.934
where: short stacking energy: -48.231
Base-Backbone interact. energy: -0.165
local terms energy: -64.650472
where:
bonds (distance) C4'-P energy: -10.449
bonds (distance) P-C4' energy: -12.619
flat angles C4'-P-C4' energy: -13.840
flat angles P-C4'-P energy: -9.579
tors. eta vs tors. theta energy: -18.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -173.582531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.582531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.582531 (E_RNA)
where:
Base-Base interactions energy: -114.080
where: short stacking energy: -42.731
Base-Backbone interact. energy: -0.056
local terms energy: -59.446124
where:
bonds (distance) C4'-P energy: -13.408
bonds (distance) P-C4' energy: -13.272
flat angles C4'-P-C4' energy: -11.915
flat angles P-C4'-P energy: -7.338
tors. eta vs tors. theta energy: -13.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -165.369190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.369190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.369190 (E_RNA)
where:
Base-Base interactions energy: -107.354
where: short stacking energy: -43.771
Base-Backbone interact. energy: -0.250
local terms energy: -57.765503
where:
bonds (distance) C4'-P energy: -10.034
bonds (distance) P-C4' energy: -11.837
flat angles C4'-P-C4' energy: -14.114
flat angles P-C4'-P energy: -6.964
tors. eta vs tors. theta energy: -14.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -163.159236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.159236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.159236 (E_RNA)
where:
Base-Base interactions energy: -113.807
where: short stacking energy: -35.582
Base-Backbone interact. energy: -0.098
local terms energy: -49.254256
where:
bonds (distance) C4'-P energy: -10.353
bonds (distance) P-C4' energy: -12.652
flat angles C4'-P-C4' energy: -11.576
flat angles P-C4'-P energy: -4.033
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: 6, replica: 10
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -73.436981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.436981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.436981 (E_RNA)
where:
Base-Base interactions energy: -31.537
where: short stacking energy: -24.675
Base-Backbone interact. energy: -0.255
local terms energy: -41.644637
where:
bonds (distance) C4'-P energy: -14.153
bonds (distance) P-C4' energy: -10.027
flat angles C4'-P-C4' energy: -4.778
flat angles P-C4'-P energy: -7.374
tors. eta vs tors. theta energy: -5.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -88.124869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.124869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.124869 (E_RNA)
where:
Base-Base interactions energy: -41.274
where: short stacking energy: -22.681
Base-Backbone interact. energy: -0.017
local terms energy: -46.833741
where:
bonds (distance) C4'-P energy: -10.547
bonds (distance) P-C4' energy: -11.951
flat angles C4'-P-C4' energy: -9.905
flat angles P-C4'-P energy: -8.499
tors. eta vs tors. theta energy: -5.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -63.804726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.804726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.804726 (E_RNA)
where:
Base-Base interactions energy: -28.589
where: short stacking energy: -7.303
Base-Backbone interact. energy: -0.219
local terms energy: -34.997308
where:
bonds (distance) C4'-P energy: -8.872
bonds (distance) P-C4' energy: -14.005
flat angles C4'-P-C4' energy: -11.421
flat angles P-C4'-P energy: -5.861
tors. eta vs tors. theta energy: 5.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -70.009544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.009544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.009544 (E_RNA)
where:
Base-Base interactions energy: -22.119
where: short stacking energy: -13.499
Base-Backbone interact. energy: -0.107
local terms energy: -47.783468
where:
bonds (distance) C4'-P energy: -14.509
bonds (distance) P-C4' energy: -11.944
flat angles C4'-P-C4' energy: -13.936
flat angles P-C4'-P energy: -9.679
tors. eta vs tors. theta energy: 2.285
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: 10, replica: 4
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -64.115476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.115476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.115476 (E_RNA)
where:
Base-Base interactions energy: -18.741
where: short stacking energy: -18.741
Base-Backbone interact. energy: -0.222
local terms energy: -45.152209
where:
bonds (distance) C4'-P energy: -11.297
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -10.158
flat angles P-C4'-P energy: -5.899
tors. eta vs tors. theta energy: -4.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -181.984892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.984892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.984892 (E_RNA)
where:
Base-Base interactions energy: -116.316
where: short stacking energy: -48.120
Base-Backbone interact. energy: -0.632
local terms energy: -65.036825
where:
bonds (distance) C4'-P energy: -11.656
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -14.795
flat angles P-C4'-P energy: -8.934
tors. eta vs tors. theta energy: -15.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -178.240694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.240694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.240694 (E_RNA)
where:
Base-Base interactions energy: -112.418
where: short stacking energy: -49.429
Base-Backbone interact. energy: -0.001
local terms energy: -65.822136
where:
bonds (distance) C4'-P energy: -12.005
bonds (distance) P-C4' energy: -11.890
flat angles C4'-P-C4' energy: -14.882
flat angles P-C4'-P energy: -10.697
tors. eta vs tors. theta energy: -16.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -173.149402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.149402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.149402 (E_RNA)
where:
Base-Base interactions energy: -107.772
where: short stacking energy: -43.953
Base-Backbone interact. energy: -0.004
local terms energy: -65.373528
where:
bonds (distance) C4'-P energy: -12.713
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -11.791
flat angles P-C4'-P energy: -10.127
tors. eta vs tors. theta energy: -16.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -170.210662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.210662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.210662 (E_RNA)
where:
Base-Base interactions energy: -113.112
where: short stacking energy: -41.342
Base-Backbone interact. energy: -0.029
local terms energy: -57.069225
where:
bonds (distance) C4'-P energy: -10.800
bonds (distance) P-C4' energy: -12.331
flat angles C4'-P-C4' energy: -12.918
flat angles P-C4'-P energy: -6.437
tors. eta vs tors. theta energy: -14.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -161.466476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.466476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.466476 (E_RNA)
where:
Base-Base interactions energy: -111.130
where: short stacking energy: -33.486
Base-Backbone interact. energy: -0.008
local terms energy: -50.328621
where:
bonds (distance) C4'-P energy: -10.560
bonds (distance) P-C4' energy: -13.318
flat angles C4'-P-C4' energy: -8.285
flat angles P-C4'-P energy: -8.257
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: 6, replica: 10
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -68.656718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.656718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.656718 (E_RNA)
where:
Base-Base interactions energy: -22.943
where: short stacking energy: -21.564
Base-Backbone interact. energy: -0.163
local terms energy: -45.550766
where:
bonds (distance) C4'-P energy: -7.352
bonds (distance) P-C4' energy: -11.288
flat angles C4'-P-C4' energy: -13.567
flat angles P-C4'-P energy: -4.663
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: 7, replica: 8
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -98.974397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.974397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.974397 (E_RNA)
where:
Base-Base interactions energy: -58.140
where: short stacking energy: -26.956
Base-Backbone interact. energy: -0.007
local terms energy: -40.827818
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -8.742
flat angles C4'-P-C4' energy: -7.747
flat angles P-C4'-P energy: -4.854
tors. eta vs tors. theta energy: -5.382
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: 8, replica: 2
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -66.360835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.360835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.360835 (E_RNA)
where:
Base-Base interactions energy: -23.074
where: short stacking energy: -19.411
Base-Backbone interact. energy: -0.582
local terms energy: -42.705122
where:
bonds (distance) C4'-P energy: -13.550
bonds (distance) P-C4' energy: -10.096
flat angles C4'-P-C4' energy: -10.241
flat angles P-C4'-P energy: -7.350
tors. eta vs tors. theta energy: -1.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -117.682412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.682412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.682412 (E_RNA)
where:
Base-Base interactions energy: -77.553
where: short stacking energy: -27.147
Base-Backbone interact. energy: 1.064
local terms energy: -41.193008
where:
bonds (distance) C4'-P energy: -10.539
bonds (distance) P-C4' energy: -10.625
flat angles C4'-P-C4' energy: -9.464
flat angles P-C4'-P energy: -3.698
tors. eta vs tors. theta energy: -6.866
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: 10, replica: 5
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -65.949176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.949176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.949176 (E_RNA)
where:
Base-Base interactions energy: -26.244
where: short stacking energy: -10.800
Base-Backbone interact. energy: -0.941
local terms energy: -38.763442
where:
bonds (distance) C4'-P energy: -12.096
bonds (distance) P-C4' energy: -13.318
flat angles C4'-P-C4' energy: -13.013
flat angles P-C4'-P energy: -3.047
tors. eta vs tors. theta energy: 2.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -180.215471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.215471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.215471 (E_RNA)
where:
Base-Base interactions energy: -116.117
where: short stacking energy: -49.338
Base-Backbone interact. energy: -0.011
local terms energy: -64.087491
where:
bonds (distance) C4'-P energy: -11.686
bonds (distance) P-C4' energy: -11.739
flat angles C4'-P-C4' energy: -13.240
flat angles P-C4'-P energy: -10.651
tors. eta vs tors. theta energy: -16.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -172.256854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.256854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.256854 (E_RNA)
where:
Base-Base interactions energy: -112.633
where: short stacking energy: -40.326
Base-Backbone interact. energy: -1.059
local terms energy: -58.565412
where:
bonds (distance) C4'-P energy: -13.806
bonds (distance) P-C4' energy: -10.482
flat angles C4'-P-C4' energy: -13.586
flat angles P-C4'-P energy: -7.339
tors. eta vs tors. theta energy: -13.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -173.182393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.182393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.182393 (E_RNA)
where:
Base-Base interactions energy: -110.719
where: short stacking energy: -44.947
Base-Backbone interact. energy: -0.040
local terms energy: -62.423438
where:
bonds (distance) C4'-P energy: -8.859
bonds (distance) P-C4' energy: -13.343
flat angles C4'-P-C4' energy: -13.931
flat angles P-C4'-P energy: -11.374
tors. eta vs tors. theta energy: -14.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -171.812676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.812676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.812676 (E_RNA)
where:
Base-Base interactions energy: -112.520
where: short stacking energy: -46.565
Base-Backbone interact. energy: -0.133
local terms energy: -59.159132
where:
bonds (distance) C4'-P energy: -9.849
bonds (distance) P-C4' energy: -13.110
flat angles C4'-P-C4' energy: -9.134
flat angles P-C4'-P energy: -11.240
tors. eta vs tors. theta energy: -15.827
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: 9
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -153.192225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.192225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.192225 (E_RNA)
where:
Base-Base interactions energy: -102.866
where: short stacking energy: -35.246
Base-Backbone interact. energy: -0.039
local terms energy: -50.287436
where:
bonds (distance) C4'-P energy: -7.931
bonds (distance) P-C4' energy: -13.582
flat angles C4'-P-C4' energy: -9.823
flat angles P-C4'-P energy: -4.008
tors. eta vs tors. theta energy: -14.943
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: 8
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -80.589581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.589581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.589581 (E_RNA)
where:
Base-Base interactions energy: -38.201
where: short stacking energy: -31.462
Base-Backbone interact. energy: -0.084
local terms energy: -42.303990
where:
bonds (distance) C4'-P energy: -13.594
bonds (distance) P-C4' energy: -5.231
flat angles C4'-P-C4' energy: -12.129
flat angles P-C4'-P energy: -5.585
tors. eta vs tors. theta energy: -5.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -71.749599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.749599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.749599 (E_RNA)
where:
Base-Base interactions energy: -19.386
where: short stacking energy: -6.560
Base-Backbone interact. energy: -0.087
local terms energy: -52.277246
where:
bonds (distance) C4'-P energy: -14.393
bonds (distance) P-C4' energy: -12.037
flat angles C4'-P-C4' energy: -13.929
flat angles P-C4'-P energy: -8.546
tors. eta vs tors. theta energy: -3.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -118.274234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.274234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.274234 (E_RNA)
where:
Base-Base interactions energy: -77.481
where: short stacking energy: -29.692
Base-Backbone interact. energy: -0.122
local terms energy: -40.671405
where:
bonds (distance) C4'-P energy: -10.626
bonds (distance) P-C4' energy: -9.045
flat angles C4'-P-C4' energy: -6.755
flat angles P-C4'-P energy: -7.983
tors. eta vs tors. theta energy: -6.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -71.418435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.418435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.418435 (E_RNA)
where:
Base-Base interactions energy: -36.760
where: short stacking energy: -21.170
Base-Backbone interact. energy: -1.126
local terms energy: -33.532780
where:
bonds (distance) C4'-P energy: -9.148
bonds (distance) P-C4' energy: -7.306
flat angles C4'-P-C4' energy: -5.513
flat angles P-C4'-P energy: -7.519
tors. eta vs tors. theta energy: -4.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -57.308260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.308260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.308260 (E_RNA)
where:
Base-Base interactions energy: -15.292
where: short stacking energy: -6.597
Base-Backbone interact. energy: 0.178
local terms energy: -42.193871
where:
bonds (distance) C4'-P energy: -12.390
bonds (distance) P-C4' energy: -12.969
flat angles C4'-P-C4' energy: -10.380
flat angles P-C4'-P energy: -9.067
tors. eta vs tors. theta energy: 2.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -183.673136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.673136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.673136 (E_RNA)
where:
Base-Base interactions energy: -117.109
where: short stacking energy: -47.035
Base-Backbone interact. energy: -0.009
local terms energy: -66.555369
where:
bonds (distance) C4'-P energy: -13.450
bonds (distance) P-C4' energy: -12.803
flat angles C4'-P-C4' energy: -14.343
flat angles P-C4'-P energy: -8.567
tors. eta vs tors. theta energy: -17.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -164.485168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.485168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.485168 (E_RNA)
where:
Base-Base interactions energy: -103.704
where: short stacking energy: -38.508
Base-Backbone interact. energy: -0.013
local terms energy: -60.767887
where:
bonds (distance) C4'-P energy: -12.705
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -12.412
flat angles P-C4'-P energy: -7.734
tors. eta vs tors. theta energy: -14.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -170.619584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.619584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.619584 (E_RNA)
where:
Base-Base interactions energy: -114.762
where: short stacking energy: -45.216
Base-Backbone interact. energy: -0.163
local terms energy: -55.693780
where:
bonds (distance) C4'-P energy: -10.461
bonds (distance) P-C4' energy: -11.047
flat angles C4'-P-C4' energy: -12.204
flat angles P-C4'-P energy: -8.487
tors. eta vs tors. theta energy: -13.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -171.778404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.778404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.778404 (E_RNA)
where:
Base-Base interactions energy: -110.724
where: short stacking energy: -43.136
Base-Backbone interact. energy: -0.002
local terms energy: -61.053105
where:
bonds (distance) C4'-P energy: -11.000
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -13.701
flat angles P-C4'-P energy: -9.636
tors. eta vs tors. theta energy: -12.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -163.229017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.229017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.229017 (E_RNA)
where:
Base-Base interactions energy: -104.140
where: short stacking energy: -38.911
Base-Backbone interact. energy: -0.284
local terms energy: -58.804992
where:
bonds (distance) C4'-P energy: -9.928
bonds (distance) P-C4' energy: -12.849
flat angles C4'-P-C4' energy: -10.915
flat angles P-C4'-P energy: -9.804
tors. eta vs tors. theta energy: -15.310
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: 8
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -77.920680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.920680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.920680 (E_RNA)
where:
Base-Base interactions energy: -30.372
where: short stacking energy: -17.969
Base-Backbone interact. energy: 0.135
local terms energy: -47.683561
where:
bonds (distance) C4'-P energy: -13.114
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -8.999
flat angles P-C4'-P energy: -8.820
tors. eta vs tors. theta energy: -4.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -77.943081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.943081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.943081 (E_RNA)
where:
Base-Base interactions energy: -33.111
where: short stacking energy: -19.744
Base-Backbone interact. energy: -0.058
local terms energy: -44.773770
where:
bonds (distance) C4'-P energy: -13.516
bonds (distance) P-C4' energy: -11.022
flat angles C4'-P-C4' energy: -11.890
flat angles P-C4'-P energy: -5.443
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: 8, replica: 10
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -64.490762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.490762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.490762 (E_RNA)
where:
Base-Base interactions energy: -24.108
where: short stacking energy: -23.102
Base-Backbone interact. energy: -0.016
local terms energy: -40.366014
where:
bonds (distance) C4'-P energy: -9.422
bonds (distance) P-C4' energy: -9.731
flat angles C4'-P-C4' energy: -7.575
flat angles P-C4'-P energy: -9.587
tors. eta vs tors. theta energy: -4.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -59.688642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.688642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.688642 (E_RNA)
where:
Base-Base interactions energy: -18.251
where: short stacking energy: -12.061
Base-Backbone interact. energy: 0.301
local terms energy: -41.738914
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -14.070
flat angles C4'-P-C4' energy: -9.143
flat angles P-C4'-P energy: -6.381
tors. eta vs tors. theta energy: 0.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -72.022524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.022524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.022524 (E_RNA)
where:
Base-Base interactions energy: -21.749
where: short stacking energy: -21.489
Base-Backbone interact. energy: 0.109
local terms energy: -50.382362
where:
bonds (distance) C4'-P energy: -13.594
bonds (distance) P-C4' energy: -11.568
flat angles C4'-P-C4' energy: -11.445
flat angles P-C4'-P energy: -5.737
tors. eta vs tors. theta energy: -8.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -180.659156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.659156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.659156 (E_RNA)
where:
Base-Base interactions energy: -117.918
where: short stacking energy: -48.684
Base-Backbone interact. energy: 0.213
local terms energy: -62.954609
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -11.707
flat angles C4'-P-C4' energy: -12.282
flat angles P-C4'-P energy: -9.535
tors. eta vs tors. theta energy: -15.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -175.673641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.673641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.673641 (E_RNA)
where:
Base-Base interactions energy: -120.585
where: short stacking energy: -47.105
Base-Backbone interact. energy: -0.052
local terms energy: -55.037246
where:
bonds (distance) C4'-P energy: -7.439
bonds (distance) P-C4' energy: -13.809
flat angles C4'-P-C4' energy: -12.796
flat angles P-C4'-P energy: -8.208
tors. eta vs tors. theta energy: -12.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -173.895504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.895504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.895504 (E_RNA)
where:
Base-Base interactions energy: -111.934
where: short stacking energy: -39.040
Base-Backbone interact. energy: -0.001
local terms energy: -61.960358
where:
bonds (distance) C4'-P energy: -11.205
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -10.269
flat angles P-C4'-P energy: -10.764
tors. eta vs tors. theta energy: -15.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -173.078188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.078188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.078188 (E_RNA)
where:
Base-Base interactions energy: -116.473
where: short stacking energy: -48.044
Base-Backbone interact. energy: -1.061
local terms energy: -55.544412
where:
bonds (distance) C4'-P energy: -9.094
bonds (distance) P-C4' energy: -7.858
flat angles C4'-P-C4' energy: -11.227
flat angles P-C4'-P energy: -11.159
tors. eta vs tors. theta energy: -16.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -154.099656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.099656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.099656 (E_RNA)
where:
Base-Base interactions energy: -102.078
where: short stacking energy: -34.469
Base-Backbone interact. energy: -0.189
local terms energy: -51.833079
where:
bonds (distance) C4'-P energy: -11.694
bonds (distance) P-C4' energy: -12.739
flat angles C4'-P-C4' energy: -13.347
flat angles P-C4'-P energy: -4.055
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: 6, replica: 4
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -74.882953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.882953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.882953 (E_RNA)
where:
Base-Base interactions energy: -30.958
where: short stacking energy: -19.536
Base-Backbone interact. energy: -0.147
local terms energy: -43.778234
where:
bonds (distance) C4'-P energy: -8.051
bonds (distance) P-C4' energy: -13.733
flat angles C4'-P-C4' energy: -10.168
flat angles P-C4'-P energy: -4.624
tors. eta vs tors. theta energy: -7.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -78.347717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.347717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.347717 (E_RNA)
where:
Base-Base interactions energy: -32.912
where: short stacking energy: -12.324
Base-Backbone interact. energy: -0.140
local terms energy: -45.295363
where:
bonds (distance) C4'-P energy: -10.738
bonds (distance) P-C4' energy: -13.695
flat angles C4'-P-C4' energy: -13.209
flat angles P-C4'-P energy: -6.875
tors. eta vs tors. theta energy: -0.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -64.229977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.229977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.229977 (E_RNA)
where:
Base-Base interactions energy: -23.998
where: short stacking energy: -13.535
Base-Backbone interact. energy: -0.005
local terms energy: -40.226277
where:
bonds (distance) C4'-P energy: -11.533
bonds (distance) P-C4' energy: -7.831
flat angles C4'-P-C4' energy: -11.422
flat angles P-C4'-P energy: -7.917
tors. eta vs tors. theta energy: -1.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -65.061314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.061314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.061314 (E_RNA)
where:
Base-Base interactions energy: -22.474
where: short stacking energy: -22.444
Base-Backbone interact. energy: -0.453
local terms energy: -42.133993
where:
bonds (distance) C4'-P energy: -10.307
bonds (distance) P-C4' energy: -13.540
flat angles C4'-P-C4' energy: -5.949
flat angles P-C4'-P energy: -5.397
tors. eta vs tors. theta energy: -6.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -74.803189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.803189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.803189 (E_RNA)
where:
Base-Base interactions energy: -40.149
where: short stacking energy: -16.983
Base-Backbone interact. energy: -0.062
local terms energy: -34.592729
where:
bonds (distance) C4'-P energy: -9.288
bonds (distance) P-C4' energy: -10.843
flat angles C4'-P-C4' energy: -4.595
flat angles P-C4'-P energy: -7.616
tors. eta vs tors. theta energy: -2.250
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: 6
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -177.114956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.114956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.114956 (E_RNA)
where:
Base-Base interactions energy: -114.460
where: short stacking energy: -46.211
Base-Backbone interact. energy: 0.089
local terms energy: -62.743769
where:
bonds (distance) C4'-P energy: -12.842
bonds (distance) P-C4' energy: -11.911
flat angles C4'-P-C4' energy: -12.033
flat angles P-C4'-P energy: -10.480
tors. eta vs tors. theta energy: -15.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -166.289084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.289084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.289084 (E_RNA)
where:
Base-Base interactions energy: -111.020
where: short stacking energy: -41.088
Base-Backbone interact. energy: -0.041
local terms energy: -55.228557
where:
bonds (distance) C4'-P energy: -10.895
bonds (distance) P-C4' energy: -13.812
flat angles C4'-P-C4' energy: -8.082
flat angles P-C4'-P energy: -8.834
tors. eta vs tors. theta energy: -13.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -174.443614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.443614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.443614 (E_RNA)
where:
Base-Base interactions energy: -113.022
where: short stacking energy: -42.262
Base-Backbone interact. energy: -0.022
local terms energy: -61.399774
where:
bonds (distance) C4'-P energy: -13.826
bonds (distance) P-C4' energy: -10.690
flat angles C4'-P-C4' energy: -13.477
flat angles P-C4'-P energy: -7.103
tors. eta vs tors. theta energy: -16.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -171.704722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.704722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.704722 (E_RNA)
where:
Base-Base interactions energy: -115.781
where: short stacking energy: -48.520
Base-Backbone interact. energy: -0.001
local terms energy: -55.923027
where:
bonds (distance) C4'-P energy: -8.163
bonds (distance) P-C4' energy: -9.654
flat angles C4'-P-C4' energy: -13.425
flat angles P-C4'-P energy: -6.739
tors. eta vs tors. theta energy: -17.941
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: 7
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -152.871594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.871594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.871594 (E_RNA)
where:
Base-Base interactions energy: -98.571
where: short stacking energy: -32.182
Base-Backbone interact. energy: 1.232
local terms energy: -55.532603
where:
bonds (distance) C4'-P energy: -10.808
bonds (distance) P-C4' energy: -12.868
flat angles C4'-P-C4' energy: -13.600
flat angles P-C4'-P energy: -7.311
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: 6, replica: 4
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -85.158206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.158206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.158206 (E_RNA)
where:
Base-Base interactions energy: -35.211
where: short stacking energy: -23.692
Base-Backbone interact. energy: -1.227
local terms energy: -48.720483
where:
bonds (distance) C4'-P energy: -9.037
bonds (distance) P-C4' energy: -12.471
flat angles C4'-P-C4' energy: -11.786
flat angles P-C4'-P energy: -11.357
tors. eta vs tors. theta energy: -4.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -69.555362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.555362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.555362 (E_RNA)
where:
Base-Base interactions energy: -22.303
where: short stacking energy: -12.304
Base-Backbone interact. energy: -0.426
local terms energy: -46.826489
where:
bonds (distance) C4'-P energy: -10.052
bonds (distance) P-C4' energy: -14.664
flat angles C4'-P-C4' energy: -12.378
flat angles P-C4'-P energy: -10.112
tors. eta vs tors. theta energy: 0.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -69.254409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.254409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.254409 (E_RNA)
where:
Base-Base interactions energy: -22.465
where: short stacking energy: -7.709
Base-Backbone interact. energy: -0.084
local terms energy: -46.705220
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -13.748
flat angles C4'-P-C4' energy: -10.101
flat angles P-C4'-P energy: -8.908
tors. eta vs tors. theta energy: -1.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -75.927486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.927486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.927486 (E_RNA)
where:
Base-Base interactions energy: -32.442
where: short stacking energy: -19.354
Base-Backbone interact. energy: -0.120
local terms energy: -43.365714
where:
bonds (distance) C4'-P energy: -9.305
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: -11.487
flat angles P-C4'-P energy: -9.658
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: 10, replica: 10
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -55.541013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.541013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.541013 (E_RNA)
where:
Base-Base interactions energy: -13.895
where: short stacking energy: -7.353
Base-Backbone interact. energy: -0.612
local terms energy: -41.034761
where:
bonds (distance) C4'-P energy: -10.416
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: -12.029
flat angles P-C4'-P energy: -8.110
tors. eta vs tors. theta energy: 2.799
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: 6
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -178.925818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.925818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.925818 (E_RNA)
where:
Base-Base interactions energy: -115.126
where: short stacking energy: -42.376
Base-Backbone interact. energy: -0.095
local terms energy: -63.705521
where:
bonds (distance) C4'-P energy: -12.096
bonds (distance) P-C4' energy: -13.233
flat angles C4'-P-C4' energy: -13.777
flat angles P-C4'-P energy: -6.439
tors. eta vs tors. theta energy: -18.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -179.355090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.355090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.355090 (E_RNA)
where:
Base-Base interactions energy: -120.439
where: short stacking energy: -37.646
Base-Backbone interact. energy: -0.043
local terms energy: -58.872852
where:
bonds (distance) C4'-P energy: -10.664
bonds (distance) P-C4' energy: -8.956
flat angles C4'-P-C4' energy: -12.817
flat angles P-C4'-P energy: -9.792
tors. eta vs tors. theta energy: -16.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -181.655492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.655492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.655492 (E_RNA)
where:
Base-Base interactions energy: -117.303
where: short stacking energy: -50.775
Base-Backbone interact. energy: -0.000
local terms energy: -64.352235
where:
bonds (distance) C4'-P energy: -12.707
bonds (distance) P-C4' energy: -13.247
flat angles C4'-P-C4' energy: -11.178
flat angles P-C4'-P energy: -11.425
tors. eta vs tors. theta energy: -15.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -172.664435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.664435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.664435 (E_RNA)
where:
Base-Base interactions energy: -111.099
where: short stacking energy: -43.433
Base-Backbone interact. energy: -0.007
local terms energy: -61.558090
where:
bonds (distance) C4'-P energy: -13.780
bonds (distance) P-C4' energy: -13.057
flat angles C4'-P-C4' energy: -10.362
flat angles P-C4'-P energy: -6.865
tors. eta vs tors. theta energy: -17.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -157.185741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.185741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.185741 (E_RNA)
where:
Base-Base interactions energy: -102.561
where: short stacking energy: -45.789
Base-Backbone interact. energy: -0.004
local terms energy: -54.619807
where:
bonds (distance) C4'-P energy: -9.757
bonds (distance) P-C4' energy: -12.052
flat angles C4'-P-C4' energy: -13.242
flat angles P-C4'-P energy: -5.886
tors. eta vs tors. theta energy: -13.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -71.716867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.716867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.716867 (E_RNA)
where:
Base-Base interactions energy: -34.515
where: short stacking energy: -19.089
Base-Backbone interact. energy: 0.178
local terms energy: -37.380224
where:
bonds (distance) C4'-P energy: -8.710
bonds (distance) P-C4' energy: -7.554
flat angles C4'-P-C4' energy: -11.434
flat angles P-C4'-P energy: -5.421
tors. eta vs tors. theta energy: -4.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -78.276958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.276958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.276958 (E_RNA)
where:
Base-Base interactions energy: -29.371
where: short stacking energy: -19.793
Base-Backbone interact. energy: -0.438
local terms energy: -48.468063
where:
bonds (distance) C4'-P energy: -13.309
bonds (distance) P-C4' energy: -10.731
flat angles C4'-P-C4' energy: -10.221
flat angles P-C4'-P energy: -8.676
tors. eta vs tors. theta energy: -5.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -57.724724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.724724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.724724 (E_RNA)
where:
Base-Base interactions energy: -18.288
where: short stacking energy: -10.176
Base-Backbone interact. energy: -0.960
local terms energy: -38.476331
where:
bonds (distance) C4'-P energy: -12.637
bonds (distance) P-C4' energy: -11.461
flat angles C4'-P-C4' energy: -10.026
flat angles P-C4'-P energy: -7.639
tors. eta vs tors. theta energy: 3.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -65.613470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.613470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.613470 (E_RNA)
where:
Base-Base interactions energy: -24.267
where: short stacking energy: -20.079
Base-Backbone interact. energy: -0.033
local terms energy: -41.314344
where:
bonds (distance) C4'-P energy: -11.011
bonds (distance) P-C4' energy: -11.507
flat angles C4'-P-C4' energy: -9.679
flat angles P-C4'-P energy: -6.499
tors. eta vs tors. theta energy: -2.618
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: 10
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -66.796408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.796408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.796408 (E_RNA)
where:
Base-Base interactions energy: -35.773
where: short stacking energy: -16.578
Base-Backbone interact. energy: -0.117
local terms energy: -30.906711
where:
bonds (distance) C4'-P energy: -6.015
bonds (distance) P-C4' energy: -10.392
flat angles C4'-P-C4' energy: -9.245
flat angles P-C4'-P energy: -5.299
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: 9
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -179.483606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.483606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.483606 (E_RNA)
where:
Base-Base interactions energy: -119.488
where: short stacking energy: -36.528
Base-Backbone interact. energy: -0.345
local terms energy: -59.650028
where:
bonds (distance) C4'-P energy: -12.200
bonds (distance) P-C4' energy: -12.272
flat angles C4'-P-C4' energy: -11.183
flat angles P-C4'-P energy: -10.560
tors. eta vs tors. theta energy: -13.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -170.578189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.578189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.578189 (E_RNA)
where:
Base-Base interactions energy: -118.216
where: short stacking energy: -43.067
Base-Backbone interact. energy: 1.020
local terms energy: -53.381864
where:
bonds (distance) C4'-P energy: -12.588
bonds (distance) P-C4' energy: -11.598
flat angles C4'-P-C4' energy: -7.722
flat angles P-C4'-P energy: -9.561
tors. eta vs tors. theta energy: -11.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -177.289491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.289491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.289491 (E_RNA)
where:
Base-Base interactions energy: -116.066
where: short stacking energy: -48.834
Base-Backbone interact. energy: -0.020
local terms energy: -61.203540
where:
bonds (distance) C4'-P energy: -9.832
bonds (distance) P-C4' energy: -13.805
flat angles C4'-P-C4' energy: -14.278
flat angles P-C4'-P energy: -6.893
tors. eta vs tors. theta energy: -16.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -169.810715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.810715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.810715 (E_RNA)
where:
Base-Base interactions energy: -108.397
where: short stacking energy: -45.274
Base-Backbone interact. energy: -0.012
local terms energy: -61.402482
where:
bonds (distance) C4'-P energy: -12.878
bonds (distance) P-C4' energy: -12.200
flat angles C4'-P-C4' energy: -12.943
flat angles P-C4'-P energy: -8.787
tors. eta vs tors. theta energy: -14.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -163.966482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.966482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.966482 (E_RNA)
where:
Base-Base interactions energy: -105.052
where: short stacking energy: -44.843
Base-Backbone interact. energy: -0.793
local terms energy: -58.121380
where:
bonds (distance) C4'-P energy: -11.012
bonds (distance) P-C4' energy: -11.700
flat angles C4'-P-C4' energy: -12.540
flat angles P-C4'-P energy: -8.266
tors. eta vs tors. theta energy: -14.604
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: 6, replica: 8
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -69.389756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.389756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.389756 (E_RNA)
where:
Base-Base interactions energy: -30.894
where: short stacking energy: -8.576
Base-Backbone interact. energy: -0.058
local terms energy: -38.437489
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -14.097
flat angles C4'-P-C4' energy: -7.491
flat angles P-C4'-P energy: -3.502
tors. eta vs tors. theta energy: -0.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -70.315254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.315254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.315254 (E_RNA)
where:
Base-Base interactions energy: -26.348
where: short stacking energy: -8.610
Base-Backbone interact. energy: -0.969
local terms energy: -42.998806
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -12.824
flat angles C4'-P-C4' energy: -8.524
flat angles P-C4'-P energy: -4.869
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: 8, replica: 4
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -63.879793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.879793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.879793 (E_RNA)
where:
Base-Base interactions energy: -30.050
where: short stacking energy: -18.987
Base-Backbone interact. energy: -0.739
local terms energy: -33.090628
where:
bonds (distance) C4'-P energy: -12.250
bonds (distance) P-C4' energy: -11.937
flat angles C4'-P-C4' energy: -10.502
flat angles P-C4'-P energy: -4.586
tors. eta vs tors. theta energy: 6.185
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: 10
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -57.948824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.948824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.948824 (E_RNA)
where:
Base-Base interactions energy: -14.908
where: short stacking energy: -14.161
Base-Backbone interact. energy: -0.000
local terms energy: -43.040653
where:
bonds (distance) C4'-P energy: -9.805
bonds (distance) P-C4' energy: -13.221
flat angles C4'-P-C4' energy: -12.121
flat angles P-C4'-P energy: -3.851
tors. eta vs tors. theta energy: -4.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -63.839141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.839141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.839141 (E_RNA)
where:
Base-Base interactions energy: -19.789
where: short stacking energy: -15.307
Base-Backbone interact. energy: -0.147
local terms energy: -43.902793
where:
bonds (distance) C4'-P energy: -12.766
bonds (distance) P-C4' energy: -10.125
flat angles C4'-P-C4' energy: -9.686
flat angles P-C4'-P energy: -6.797
tors. eta vs tors. theta energy: -4.529
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: 9
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -180.124146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.124146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.124146 (E_RNA)
where:
Base-Base interactions energy: -121.034
where: short stacking energy: -47.899
Base-Backbone interact. energy: -0.030
local terms energy: -59.060630
where:
bonds (distance) C4'-P energy: -12.165
bonds (distance) P-C4' energy: -12.211
flat angles C4'-P-C4' energy: -11.503
flat angles P-C4'-P energy: -7.509
tors. eta vs tors. theta energy: -15.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -180.043120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.043120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.043120 (E_RNA)
where:
Base-Base interactions energy: -115.613
where: short stacking energy: -42.441
Base-Backbone interact. energy: -0.003
local terms energy: -64.427117
where:
bonds (distance) C4'-P energy: -13.885
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -13.635
flat angles P-C4'-P energy: -7.379
tors. eta vs tors. theta energy: -14.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -185.540068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.540068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.540068 (E_RNA)
where:
Base-Base interactions energy: -119.173
where: short stacking energy: -49.143
Base-Backbone interact. energy: -0.033
local terms energy: -66.333656
where:
bonds (distance) C4'-P energy: -13.516
bonds (distance) P-C4' energy: -12.272
flat angles C4'-P-C4' energy: -12.640
flat angles P-C4'-P energy: -10.154
tors. eta vs tors. theta energy: -17.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -166.275635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.275635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.275635 (E_RNA)
where:
Base-Base interactions energy: -111.561
where: short stacking energy: -34.182
Base-Backbone interact. energy: -0.020
local terms energy: -54.694599
where:
bonds (distance) C4'-P energy: -12.788
bonds (distance) P-C4' energy: -12.443
flat angles C4'-P-C4' energy: -10.188
flat angles P-C4'-P energy: -8.525
tors. eta vs tors. theta energy: -10.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -173.880841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.880841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.880841 (E_RNA)
where:
Base-Base interactions energy: -112.242
where: short stacking energy: -45.716
Base-Backbone interact. energy: -0.069
local terms energy: -61.570362
where:
bonds (distance) C4'-P energy: -11.583
bonds (distance) P-C4' energy: -14.374
flat angles C4'-P-C4' energy: -9.927
flat angles P-C4'-P energy: -8.967
tors. eta vs tors. theta energy: -16.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -130.759157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.759157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.759157 (E_RNA)
where:
Base-Base interactions energy: -91.117
where: short stacking energy: -25.130
Base-Backbone interact. energy: -0.152
local terms energy: -39.490408
where:
bonds (distance) C4'-P energy: -9.196
bonds (distance) P-C4' energy: -12.457
flat angles C4'-P-C4' energy: -11.896
flat angles P-C4'-P energy: -1.966
tors. eta vs tors. theta energy: -3.975
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: 7, replica: 2
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -95.541127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.541127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.541127 (E_RNA)
where:
Base-Base interactions energy: -43.423
where: short stacking energy: -20.761
Base-Backbone interact. energy: 0.705
local terms energy: -52.822637
where:
bonds (distance) C4'-P energy: -13.433
bonds (distance) P-C4' energy: -12.345
flat angles C4'-P-C4' energy: -14.256
flat angles P-C4'-P energy: -8.863
tors. eta vs tors. theta energy: -3.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -74.506002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.506002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.506002 (E_RNA)
where:
Base-Base interactions energy: -40.102
where: short stacking energy: -18.103
Base-Backbone interact. energy: -0.002
local terms energy: -34.402278
where:
bonds (distance) C4'-P energy: -10.527
bonds (distance) P-C4' energy: -9.725
flat angles C4'-P-C4' energy: -7.200
flat angles P-C4'-P energy: -2.860
tors. eta vs tors. theta energy: -4.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -71.215710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.215710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.215710 (E_RNA)
where:
Base-Base interactions energy: -25.634
where: short stacking energy: -13.323
Base-Backbone interact. energy: -0.087
local terms energy: -45.494896
where:
bonds (distance) C4'-P energy: -12.717
bonds (distance) P-C4' energy: -13.846
flat angles C4'-P-C4' energy: -13.574
flat angles P-C4'-P energy: -5.277
tors. eta vs tors. theta energy: -0.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -60.788715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.788715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.788715 (E_RNA)
where:
Base-Base interactions energy: -21.930
where: short stacking energy: -16.165
Base-Backbone interact. energy: -0.205
local terms energy: -38.653591
where:
bonds (distance) C4'-P energy: -6.994
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -9.757
flat angles P-C4'-P energy: -6.757
tors. eta vs tors. theta energy: -1.857
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: 92
Temperature: 0.900000
Total energy: -181.730911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.730911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.730911 (E_RNA)
where:
Base-Base interactions energy: -117.099
where: short stacking energy: -47.800
Base-Backbone interact. energy: -0.001
local terms energy: -64.631419
where:
bonds (distance) C4'-P energy: -12.232
bonds (distance) P-C4' energy: -14.293
flat angles C4'-P-C4' energy: -14.206
flat angles P-C4'-P energy: -6.660
tors. eta vs tors. theta energy: -17.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -179.226053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.226053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.226053 (E_RNA)
where:
Base-Base interactions energy: -113.343
where: short stacking energy: -47.815
Base-Backbone interact. energy: -0.128
local terms energy: -65.754604
where:
bonds (distance) C4'-P energy: -10.613
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -15.035
flat angles P-C4'-P energy: -11.040
tors. eta vs tors. theta energy: -16.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -175.037526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.037526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.037526 (E_RNA)
where:
Base-Base interactions energy: -114.802
where: short stacking energy: -35.710
Base-Backbone interact. energy: -0.283
local terms energy: -59.953200
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -9.728
flat angles C4'-P-C4' energy: -14.281
flat angles P-C4'-P energy: -9.546
tors. eta vs tors. theta energy: -13.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -172.559736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.559736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.559736 (E_RNA)
where:
Base-Base interactions energy: -110.988
where: short stacking energy: -39.182
Base-Backbone interact. energy: -0.103
local terms energy: -61.468878
where:
bonds (distance) C4'-P energy: -11.699
bonds (distance) P-C4' energy: -13.501
flat angles C4'-P-C4' energy: -12.065
flat angles P-C4'-P energy: -7.623
tors. eta vs tors. theta energy: -16.581
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: 92
Temperature: 1.100000
Total energy: -140.560389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.560389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.560389 (E_RNA)
where:
Base-Base interactions energy: -93.830
where: short stacking energy: -31.820
Base-Backbone interact. energy: -0.073
local terms energy: -46.658227
where:
bonds (distance) C4'-P energy: -11.139
bonds (distance) P-C4' energy: -8.164
flat angles C4'-P-C4' energy: -10.335
flat angles P-C4'-P energy: -6.368
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: 6, replica: 7
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -170.032032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.032032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.032032 (E_RNA)
where:
Base-Base interactions energy: -112.432
where: short stacking energy: -40.856
Base-Backbone interact. energy: -1.167
local terms energy: -56.433589
where:
bonds (distance) C4'-P energy: -11.437
bonds (distance) P-C4' energy: -12.651
flat angles C4'-P-C4' energy: -12.209
flat angles P-C4'-P energy: -8.062
tors. eta vs tors. theta energy: -12.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -55.788012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.788012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.788012 (E_RNA)
where:
Base-Base interactions energy: -13.001
where: short stacking energy: -9.791
Base-Backbone interact. energy: -0.249
local terms energy: -42.537849
where:
bonds (distance) C4'-P energy: -13.388
bonds (distance) P-C4' energy: -14.558
flat angles C4'-P-C4' energy: -6.890
flat angles P-C4'-P energy: -7.431
tors. eta vs tors. theta energy: -0.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -91.452984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.452984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.452984 (E_RNA)
where:
Base-Base interactions energy: -52.744
where: short stacking energy: -17.383
Base-Backbone interact. energy: -0.332
local terms energy: -38.376723
where:
bonds (distance) C4'-P energy: -5.787
bonds (distance) P-C4' energy: -14.023
flat angles C4'-P-C4' energy: -11.543
flat angles P-C4'-P energy: -5.609
tors. eta vs tors. theta energy: -1.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -77.398586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.398586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.398586 (E_RNA)
where:
Base-Base interactions energy: -35.168
where: short stacking energy: -24.919
Base-Backbone interact. energy: -0.160
local terms energy: -42.070399
where:
bonds (distance) C4'-P energy: -11.310
bonds (distance) P-C4' energy: -10.537
flat angles C4'-P-C4' energy: -8.479
flat angles P-C4'-P energy: -7.202
tors. eta vs tors. theta energy: -4.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -58.462712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.462712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.462712 (E_RNA)
where:
Base-Base interactions energy: -15.736
where: short stacking energy: -9.742
Base-Backbone interact. energy: -0.586
local terms energy: -42.140085
where:
bonds (distance) C4'-P energy: -9.106
bonds (distance) P-C4' energy: -14.389
flat angles C4'-P-C4' energy: -13.429
flat angles P-C4'-P energy: -7.290
tors. eta vs tors. theta energy: 2.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -177.247472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.247472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.247472 (E_RNA)
where:
Base-Base interactions energy: -116.890
where: short stacking energy: -49.461
Base-Backbone interact. energy: -0.006
local terms energy: -60.351347
where:
bonds (distance) C4'-P energy: -11.607
bonds (distance) P-C4' energy: -12.653
flat angles C4'-P-C4' energy: -13.691
flat angles P-C4'-P energy: -7.799
tors. eta vs tors. theta energy: -14.602
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: 2, replica: 1
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -176.825794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.825794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.825794 (E_RNA)
where:
Base-Base interactions energy: -114.901
where: short stacking energy: -50.705
Base-Backbone interact. energy: -0.908
local terms energy: -61.016952
where:
bonds (distance) C4'-P energy: -12.746
bonds (distance) P-C4' energy: -7.818
flat angles C4'-P-C4' energy: -12.644
flat angles P-C4'-P energy: -10.449
tors. eta vs tors. theta energy: -17.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -176.392804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.392804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.392804 (E_RNA)
where:
Base-Base interactions energy: -119.796
where: short stacking energy: -47.032
Base-Backbone interact. energy: -0.154
local terms energy: -56.443067
where:
bonds (distance) C4'-P energy: -10.097
bonds (distance) P-C4' energy: -9.717
flat angles C4'-P-C4' energy: -13.980
flat angles P-C4'-P energy: -4.314
tors. eta vs tors. theta energy: -18.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -173.179528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.179528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.179528 (E_RNA)
where:
Base-Base interactions energy: -110.797
where: short stacking energy: -43.509
Base-Backbone interact. energy: -1.190
local terms energy: -61.192318
where:
bonds (distance) C4'-P energy: -9.177
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -14.034
flat angles P-C4'-P energy: -10.363
tors. eta vs tors. theta energy: -13.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -144.402540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.402540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.402540 (E_RNA)
where:
Base-Base interactions energy: -90.789
where: short stacking energy: -35.154
Base-Backbone interact. energy: 1.390
local terms energy: -55.003597
where:
bonds (distance) C4'-P energy: -8.659
bonds (distance) P-C4' energy: -11.959
flat angles C4'-P-C4' energy: -13.708
flat angles P-C4'-P energy: -7.269
tors. eta vs tors. theta energy: -13.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -158.768815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.768815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.768815 (E_RNA)
where:
Base-Base interactions energy: -107.681
where: short stacking energy: -34.872
Base-Backbone interact. energy: -0.016
local terms energy: -51.072114
where:
bonds (distance) C4'-P energy: -11.447
bonds (distance) P-C4' energy: -11.003
flat angles C4'-P-C4' energy: -8.106
flat angles P-C4'-P energy: -8.534
tors. eta vs tors. theta energy: -11.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -62.843269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.843269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.843269 (E_RNA)
where:
Base-Base interactions energy: -17.366
where: short stacking energy: -17.366
Base-Backbone interact. energy: -0.160
local terms energy: -45.316420
where:
bonds (distance) C4'-P energy: -13.123
bonds (distance) P-C4' energy: -10.145
flat angles C4'-P-C4' energy: -12.417
flat angles P-C4'-P energy: -7.332
tors. eta vs tors. theta energy: -2.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -82.711456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.711456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.711456 (E_RNA)
where:
Base-Base interactions energy: -37.100
where: short stacking energy: -19.664
Base-Backbone interact. energy: 0.017
local terms energy: -45.628212
where:
bonds (distance) C4'-P energy: -14.137
bonds (distance) P-C4' energy: -9.899
flat angles C4'-P-C4' energy: -10.930
flat angles P-C4'-P energy: -8.589
tors. eta vs tors. theta energy: -2.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -67.149338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.149338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.149338 (E_RNA)
where:
Base-Base interactions energy: -22.176
where: short stacking energy: -19.586
Base-Backbone interact. energy: -0.256
local terms energy: -44.717415
where:
bonds (distance) C4'-P energy: -10.585
bonds (distance) P-C4' energy: -14.425
flat angles C4'-P-C4' energy: -7.132
flat angles P-C4'-P energy: -8.133
tors. eta vs tors. theta energy: -4.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -53.077783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.077783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.077783 (E_RNA)
where:
Base-Base interactions energy: -19.765
where: short stacking energy: -12.856
Base-Backbone interact. energy: 0.578
local terms energy: -33.890876
where:
bonds (distance) C4'-P energy: -6.332
bonds (distance) P-C4' energy: -9.040
flat angles C4'-P-C4' energy: -6.753
flat angles P-C4'-P energy: -7.945
tors. eta vs tors. theta energy: -3.820
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: 1
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -180.931929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.931929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.931929 (E_RNA)
where:
Base-Base interactions energy: -117.866
where: short stacking energy: -42.376
Base-Backbone interact. energy: 1.200
local terms energy: -64.266475
where:
bonds (distance) C4'-P energy: -12.145
bonds (distance) P-C4' energy: -12.077
flat angles C4'-P-C4' energy: -14.042
flat angles P-C4'-P energy: -11.465
tors. eta vs tors. theta energy: -14.538
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: 9
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -182.251329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.251329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.251329 (E_RNA)
where:
Base-Base interactions energy: -122.653
where: short stacking energy: -41.717
Base-Backbone interact. energy: -0.035
local terms energy: -59.563450
where:
bonds (distance) C4'-P energy: -11.061
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -11.655
flat angles P-C4'-P energy: -7.841
tors. eta vs tors. theta energy: -15.746
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: 3, replica: 3
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -170.614922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.614922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.614922 (E_RNA)
where:
Base-Base interactions energy: -112.710
where: short stacking energy: -42.912
Base-Backbone interact. energy: -0.111
local terms energy: -57.794031
where:
bonds (distance) C4'-P energy: -11.724
bonds (distance) P-C4' energy: -13.683
flat angles C4'-P-C4' energy: -12.271
flat angles P-C4'-P energy: -10.643
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: 6
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -171.141952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.141952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.141952 (E_RNA)
where:
Base-Base interactions energy: -109.341
where: short stacking energy: -37.396
Base-Backbone interact. energy: -0.074
local terms energy: -61.727580
where:
bonds (distance) C4'-P energy: -13.196
bonds (distance) P-C4' energy: -11.266
flat angles C4'-P-C4' energy: -14.045
flat angles P-C4'-P energy: -8.743
tors. eta vs tors. theta energy: -14.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -148.026726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.026726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.026726 (E_RNA)
where:
Base-Base interactions energy: -97.449
where: short stacking energy: -36.410
Base-Backbone interact. energy: -0.178
local terms energy: -50.400442
where:
bonds (distance) C4'-P energy: -8.797
bonds (distance) P-C4' energy: -13.364
flat angles C4'-P-C4' energy: -11.381
flat angles P-C4'-P energy: -5.350
tors. eta vs tors. theta energy: -11.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -139.658477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.658477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.658477 (E_RNA)
where:
Base-Base interactions energy: -83.938
where: short stacking energy: -34.561
Base-Backbone interact. energy: -0.734
local terms energy: -54.986508
where:
bonds (distance) C4'-P energy: -11.855
bonds (distance) P-C4' energy: -10.471
flat angles C4'-P-C4' energy: -11.479
flat angles P-C4'-P energy: -10.705
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: 7, replica: 5
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -82.681629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.681629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.681629 (E_RNA)
where:
Base-Base interactions energy: -45.375
where: short stacking energy: -19.310
Base-Backbone interact. energy: -0.042
local terms energy: -37.264359
where:
bonds (distance) C4'-P energy: -11.959
bonds (distance) P-C4' energy: -10.108
flat angles C4'-P-C4' energy: -7.387
flat angles P-C4'-P energy: -3.387
tors. eta vs tors. theta energy: -4.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -73.511340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.511340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.511340 (E_RNA)
where:
Base-Base interactions energy: -43.362
where: short stacking energy: -18.776
Base-Backbone interact. energy: -1.880
local terms energy: -28.270040
where:
bonds (distance) C4'-P energy: -6.280
bonds (distance) P-C4' energy: -4.878
flat angles C4'-P-C4' energy: -6.587
flat angles P-C4'-P energy: -8.413
tors. eta vs tors. theta energy: -2.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -65.077450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.077450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.077450 (E_RNA)
where:
Base-Base interactions energy: -21.678
where: short stacking energy: -19.351
Base-Backbone interact. energy: -0.130
local terms energy: -43.268837
where:
bonds (distance) C4'-P energy: -10.336
bonds (distance) P-C4' energy: -10.434
flat angles C4'-P-C4' energy: -11.138
flat angles P-C4'-P energy: -6.610
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: 10, replica: 2
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -58.003083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.003083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.003083 (E_RNA)
where:
Base-Base interactions energy: -20.172
where: short stacking energy: -17.292
Base-Backbone interact. energy: -0.291
local terms energy: -37.540312
where:
bonds (distance) C4'-P energy: -13.594
bonds (distance) P-C4' energy: -10.848
flat angles C4'-P-C4' energy: -7.947
flat angles P-C4'-P energy: -2.340
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: 1
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -180.304845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.304845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.304845 (E_RNA)
where:
Base-Base interactions energy: -119.531
where: short stacking energy: -41.150
Base-Backbone interact. energy: -0.011
local terms energy: -60.763171
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -12.401
flat angles C4'-P-C4' energy: -12.299
flat angles P-C4'-P energy: -8.217
tors. eta vs tors. theta energy: -13.113
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: 3
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -175.047185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.047185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.047185 (E_RNA)
where:
Base-Base interactions energy: -110.405
where: short stacking energy: -41.874
Base-Backbone interact. energy: -0.856
local terms energy: -63.786852
where:
bonds (distance) C4'-P energy: -13.718
bonds (distance) P-C4' energy: -13.589
flat angles C4'-P-C4' energy: -11.251
flat angles P-C4'-P energy: -7.381
tors. eta vs tors. theta energy: -17.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -172.374001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.374001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.374001 (E_RNA)
where:
Base-Base interactions energy: -110.972
where: short stacking energy: -42.882
Base-Backbone interact. energy: -0.128
local terms energy: -61.274413
where:
bonds (distance) C4'-P energy: -13.346
bonds (distance) P-C4' energy: -13.029
flat angles C4'-P-C4' energy: -14.627
flat angles P-C4'-P energy: -6.348
tors. eta vs tors. theta energy: -13.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -174.618291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.618291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.618291 (E_RNA)
where:
Base-Base interactions energy: -117.596
where: short stacking energy: -48.224
Base-Backbone interact. energy: -0.008
local terms energy: -57.014253
where:
bonds (distance) C4'-P energy: -9.633
bonds (distance) P-C4' energy: -9.475
flat angles C4'-P-C4' energy: -12.459
flat angles P-C4'-P energy: -7.316
tors. eta vs tors. theta energy: -18.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -119.579720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.579720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.579720 (E_RNA)
where:
Base-Base interactions energy: -65.618
where: short stacking energy: -27.312
Base-Backbone interact. energy: -0.725
local terms energy: -53.236866
where:
bonds (distance) C4'-P energy: -11.931
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -12.508
flat angles P-C4'-P energy: -8.116
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: 6, replica: 5
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -98.697410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.697410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.697410 (E_RNA)
where:
Base-Base interactions energy: -53.564
where: short stacking energy: -22.550
Base-Backbone interact. energy: -0.096
local terms energy: -45.036886
where:
bonds (distance) C4'-P energy: -9.455
bonds (distance) P-C4' energy: -12.765
flat angles C4'-P-C4' energy: -11.335
flat angles P-C4'-P energy: -6.106
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: 7, replica: 8
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -107.351520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.351520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.351520 (E_RNA)
where:
Base-Base interactions energy: -62.566
where: short stacking energy: -22.679
Base-Backbone interact. energy: 0.474
local terms energy: -45.259404
where:
bonds (distance) C4'-P energy: -9.959
bonds (distance) P-C4' energy: -9.450
flat angles C4'-P-C4' energy: -12.864
flat angles P-C4'-P energy: -7.947
tors. eta vs tors. theta energy: -5.039
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: 10
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -65.348441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.348441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.348441 (E_RNA)
where:
Base-Base interactions energy: -30.954
where: short stacking energy: -19.298
Base-Backbone interact. energy: -1.115
local terms energy: -33.279216
where:
bonds (distance) C4'-P energy: -11.012
bonds (distance) P-C4' energy: -8.290
flat angles C4'-P-C4' energy: -9.552
flat angles P-C4'-P energy: -5.042
tors. eta vs tors. theta energy: 0.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -57.539514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.539514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.539514 (E_RNA)
where:
Base-Base interactions energy: -18.519
where: short stacking energy: -11.552
Base-Backbone interact. energy: 0.276
local terms energy: -39.296521
where:
bonds (distance) C4'-P energy: -12.584
bonds (distance) P-C4' energy: -14.904
flat angles C4'-P-C4' energy: -8.085
flat angles P-C4'-P energy: -8.132
tors. eta vs tors. theta energy: 4.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -54.262680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.262680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.262680 (E_RNA)
where:
Base-Base interactions energy: -21.038
where: short stacking energy: -18.333
Base-Backbone interact. energy: -0.101
local terms energy: -33.123905
where:
bonds (distance) C4'-P energy: -9.722
bonds (distance) P-C4' energy: -13.815
flat angles C4'-P-C4' energy: -5.230
flat angles P-C4'-P energy: -6.327
tors. eta vs tors. theta energy: 1.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -175.549791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.549791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.549791 (E_RNA)
where:
Base-Base interactions energy: -118.142
where: short stacking energy: -42.708
Base-Backbone interact. energy: -0.018
local terms energy: -57.389661
where:
bonds (distance) C4'-P energy: -11.806
bonds (distance) P-C4' energy: -11.461
flat angles C4'-P-C4' energy: -11.981
flat angles P-C4'-P energy: -5.439
tors. eta vs tors. theta energy: -16.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -179.293418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.293418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.293418 (E_RNA)
where:
Base-Base interactions energy: -115.905
where: short stacking energy: -49.592
Base-Backbone interact. energy: -0.028
local terms energy: -63.360284
where:
bonds (distance) C4'-P energy: -11.798
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -13.009
flat angles P-C4'-P energy: -9.353
tors. eta vs tors. theta energy: -14.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -174.863914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.863914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.863914 (E_RNA)
where:
Base-Base interactions energy: -111.652
where: short stacking energy: -39.594
Base-Backbone interact. energy: -0.027
local terms energy: -63.185050
where:
bonds (distance) C4'-P energy: -11.338
bonds (distance) P-C4' energy: -13.838
flat angles C4'-P-C4' energy: -14.194
flat angles P-C4'-P energy: -9.870
tors. eta vs tors. theta energy: -13.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -176.400926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.400926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.400926 (E_RNA)
where:
Base-Base interactions energy: -121.474
where: short stacking energy: -39.192
Base-Backbone interact. energy: -0.103
local terms energy: -54.823221
where:
bonds (distance) C4'-P energy: -8.773
bonds (distance) P-C4' energy: -12.358
flat angles C4'-P-C4' energy: -10.719
flat angles P-C4'-P energy: -7.317
tors. eta vs tors. theta energy: -15.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -79.161663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.161663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.161663 (E_RNA)
where:
Base-Base interactions energy: -39.464
where: short stacking energy: -6.806
Base-Backbone interact. energy: -0.086
local terms energy: -39.612161
where:
bonds (distance) C4'-P energy: -12.759
bonds (distance) P-C4' energy: -11.723
flat angles C4'-P-C4' energy: -12.777
flat angles P-C4'-P energy: -5.479
tors. eta vs tors. theta energy: 3.126
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: 7
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -141.725884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.725884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.725884 (E_RNA)
where:
Base-Base interactions energy: -90.919
where: short stacking energy: -33.328
Base-Backbone interact. energy: -0.108
local terms energy: -50.698835
where:
bonds (distance) C4'-P energy: -13.335
bonds (distance) P-C4' energy: -12.892
flat angles C4'-P-C4' energy: -8.833
flat angles P-C4'-P energy: -6.439
tors. eta vs tors. theta energy: -9.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -80.987745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.987745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.987745 (E_RNA)
where:
Base-Base interactions energy: -43.375
where: short stacking energy: -17.694
Base-Backbone interact. energy: -0.256
local terms energy: -37.356326
where:
bonds (distance) C4'-P energy: -8.113
bonds (distance) P-C4' energy: -12.320
flat angles C4'-P-C4' energy: -9.537
flat angles P-C4'-P energy: -6.633
tors. eta vs tors. theta energy: -0.754
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: 10
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -78.566063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.566063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.566063 (E_RNA)
where:
Base-Base interactions energy: -38.482
where: short stacking energy: -15.985
Base-Backbone interact. energy: -0.521
local terms energy: -39.562939
where:
bonds (distance) C4'-P energy: -10.697
bonds (distance) P-C4' energy: -10.831
flat angles C4'-P-C4' energy: -11.846
flat angles P-C4'-P energy: -7.377
tors. eta vs tors. theta energy: 1.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -58.482330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.482330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.482330 (E_RNA)
where:
Base-Base interactions energy: -16.572
where: short stacking energy: -8.903
Base-Backbone interact. energy: -0.197
local terms energy: -41.712874
where:
bonds (distance) C4'-P energy: -13.550
bonds (distance) P-C4' energy: -11.886
flat angles C4'-P-C4' energy: -11.395
flat angles P-C4'-P energy: -8.384
tors. eta vs tors. theta energy: 3.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -58.935728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.935728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.935728 (E_RNA)
where:
Base-Base interactions energy: -14.044
where: short stacking energy: -12.054
Base-Backbone interact. energy: -0.098
local terms energy: -44.793286
where:
bonds (distance) C4'-P energy: -13.354
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -10.618
flat angles P-C4'-P energy: -6.257
tors. eta vs tors. theta energy: 0.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -182.194837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.194837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.194837 (E_RNA)
where:
Base-Base interactions energy: -120.103
where: short stacking energy: -49.609
Base-Backbone interact. energy: -0.057
local terms energy: -62.034760
where:
bonds (distance) C4'-P energy: -11.508
bonds (distance) P-C4' energy: -11.873
flat angles C4'-P-C4' energy: -12.112
flat angles P-C4'-P energy: -9.803
tors. eta vs tors. theta energy: -16.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -179.581905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.581905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.581905 (E_RNA)
where:
Base-Base interactions energy: -115.347
where: short stacking energy: -45.964
Base-Backbone interact. energy: -0.008
local terms energy: -64.226360
where:
bonds (distance) C4'-P energy: -10.510
bonds (distance) P-C4' energy: -11.326
flat angles C4'-P-C4' energy: -13.715
flat angles P-C4'-P energy: -11.308
tors. eta vs tors. theta energy: -17.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -174.061243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.061243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.061243 (E_RNA)
where:
Base-Base interactions energy: -109.795
where: short stacking energy: -46.264
Base-Backbone interact. energy: -0.000
local terms energy: -64.265747
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -11.690
flat angles C4'-P-C4' energy: -14.273
flat angles P-C4'-P energy: -9.843
tors. eta vs tors. theta energy: -13.727
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: 9
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -182.683889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.683889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.683889 (E_RNA)
where:
Base-Base interactions energy: -115.084
where: short stacking energy: -48.398
Base-Backbone interact. energy: -0.865
local terms energy: -66.734828
where:
bonds (distance) C4'-P energy: -13.160
bonds (distance) P-C4' energy: -11.682
flat angles C4'-P-C4' energy: -13.515
flat angles P-C4'-P energy: -11.916
tors. eta vs tors. theta energy: -16.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -84.207150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.207150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.207150 (E_RNA)
where:
Base-Base interactions energy: -36.705
where: short stacking energy: -18.456
Base-Backbone interact. energy: -0.189
local terms energy: -47.313020
where:
bonds (distance) C4'-P energy: -10.664
bonds (distance) P-C4' energy: -15.373
flat angles C4'-P-C4' energy: -9.320
flat angles P-C4'-P energy: -9.204
tors. eta vs tors. theta energy: -2.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -154.613458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.613458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.613458 (E_RNA)
where:
Base-Base interactions energy: -105.075
where: short stacking energy: -37.836
Base-Backbone interact. energy: -0.507
local terms energy: -49.032248
where:
bonds (distance) C4'-P energy: -10.038
bonds (distance) P-C4' energy: -10.414
flat angles C4'-P-C4' energy: -13.692
flat angles P-C4'-P energy: -3.712
tors. eta vs tors. theta energy: -11.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -89.796632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.796632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.796632 (E_RNA)
where:
Base-Base interactions energy: -44.002
where: short stacking energy: -19.389
Base-Backbone interact. energy: -0.066
local terms energy: -45.728330
where:
bonds (distance) C4'-P energy: -9.483
bonds (distance) P-C4' energy: -13.367
flat angles C4'-P-C4' energy: -9.077
flat angles P-C4'-P energy: -7.123
tors. eta vs tors. theta energy: -6.678
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: 8, replica: 2
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -60.379648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.379648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.379648 (E_RNA)
where:
Base-Base interactions energy: -20.835
where: short stacking energy: -11.644
Base-Backbone interact. energy: 0.388
local terms energy: -39.932653
where:
bonds (distance) C4'-P energy: -9.572
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -8.393
flat angles P-C4'-P energy: -9.806
tors. eta vs tors. theta energy: 0.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -58.805109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.805109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.805109 (E_RNA)
where:
Base-Base interactions energy: -14.927
where: short stacking energy: -14.852
Base-Backbone interact. energy: -0.097
local terms energy: -43.780973
where:
bonds (distance) C4'-P energy: -8.647
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -10.799
flat angles P-C4'-P energy: -6.370
tors. eta vs tors. theta energy: -3.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -53.849554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.849554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.849554 (E_RNA)
where:
Base-Base interactions energy: -16.288
where: short stacking energy: -8.217
Base-Backbone interact. energy: -0.103
local terms energy: -37.458554
where:
bonds (distance) C4'-P energy: -11.631
bonds (distance) P-C4' energy: -10.518
flat angles C4'-P-C4' energy: -7.538
flat angles P-C4'-P energy: -8.641
tors. eta vs tors. theta energy: 0.870
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: 6
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -180.690240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.690240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.690240 (E_RNA)
where:
Base-Base interactions energy: -116.484
where: short stacking energy: -48.559
Base-Backbone interact. energy: -0.148
local terms energy: -64.058469
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -12.908
flat angles C4'-P-C4' energy: -12.268
flat angles P-C4'-P energy: -8.311
tors. eta vs tors. theta energy: -16.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -173.895517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.895517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.895517 (E_RNA)
where:
Base-Base interactions energy: -115.589
where: short stacking energy: -45.607
Base-Backbone interact. energy: -0.534
local terms energy: -57.772136
where:
bonds (distance) C4'-P energy: -12.662
bonds (distance) P-C4' energy: -11.217
flat angles C4'-P-C4' energy: -11.367
flat angles P-C4'-P energy: -4.928
tors. eta vs tors. theta energy: -17.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -172.879124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.879124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.879124 (E_RNA)
where:
Base-Base interactions energy: -110.102
where: short stacking energy: -45.463
Base-Backbone interact. energy: -0.079
local terms energy: -62.698583
where:
bonds (distance) C4'-P energy: -13.521
bonds (distance) P-C4' energy: -13.901
flat angles C4'-P-C4' energy: -12.542
flat angles P-C4'-P energy: -8.049
tors. eta vs tors. theta energy: -14.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -171.988416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.988416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.988416 (E_RNA)
where:
Base-Base interactions energy: -114.003
where: short stacking energy: -47.482
Base-Backbone interact. energy: -0.004
local terms energy: -57.981816
where:
bonds (distance) C4'-P energy: -11.105
bonds (distance) P-C4' energy: -9.487
flat angles C4'-P-C4' energy: -14.103
flat angles P-C4'-P energy: -8.051
tors. eta vs tors. theta energy: -15.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -140.328801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.328801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.328801 (E_RNA)
where:
Base-Base interactions energy: -87.158
where: short stacking energy: -32.450
Base-Backbone interact. energy: -0.008
local terms energy: -53.163223
where:
bonds (distance) C4'-P energy: -7.808
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -10.872
flat angles P-C4'-P energy: -10.546
tors. eta vs tors. theta energy: -11.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -81.020864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.020864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.020864 (E_RNA)
where:
Base-Base interactions energy: -41.494
where: short stacking energy: -24.279
Base-Backbone interact. energy: -0.363
local terms energy: -39.164138
where:
bonds (distance) C4'-P energy: -12.394
bonds (distance) P-C4' energy: -8.807
flat angles C4'-P-C4' energy: -10.734
flat angles P-C4'-P energy: -5.048
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: 7, replica: 2
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -64.576502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.576502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.576502 (E_RNA)
where:
Base-Base interactions energy: -25.285
where: short stacking energy: -18.411
Base-Backbone interact. energy: -0.143
local terms energy: -39.148673
where:
bonds (distance) C4'-P energy: -9.119
bonds (distance) P-C4' energy: -9.952
flat angles C4'-P-C4' energy: -9.564
flat angles P-C4'-P energy: -7.313
tors. eta vs tors. theta energy: -3.201
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: 8
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -58.720331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.720331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.720331 (E_RNA)
where:
Base-Base interactions energy: -18.526
where: short stacking energy: -10.275
Base-Backbone interact. energy: -0.191
local terms energy: -40.003177
where:
bonds (distance) C4'-P energy: -11.458
bonds (distance) P-C4' energy: -13.859
flat angles C4'-P-C4' energy: -8.636
flat angles P-C4'-P energy: -7.148
tors. eta vs tors. theta energy: 1.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -69.590220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.590220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.590220 (E_RNA)
where:
Base-Base interactions energy: -28.757
where: short stacking energy: -15.393
Base-Backbone interact. energy: -0.183
local terms energy: -40.650124
where:
bonds (distance) C4'-P energy: -13.672
bonds (distance) P-C4' energy: -12.465
flat angles C4'-P-C4' energy: -5.952
flat angles P-C4'-P energy: -3.668
tors. eta vs tors. theta energy: -4.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -59.609777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.609777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.609777 (E_RNA)
where:
Base-Base interactions energy: -26.651
where: short stacking energy: -10.864
Base-Backbone interact. energy: -0.049
local terms energy: -32.908817
where:
bonds (distance) C4'-P energy: -9.931
bonds (distance) P-C4' energy: -8.595
flat angles C4'-P-C4' energy: -12.920
flat angles P-C4'-P energy: -0.919
tors. eta vs tors. theta energy: -0.545
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: 6
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -181.749018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.749018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.749018 (E_RNA)
where:
Base-Base interactions energy: -113.292
where: short stacking energy: -41.848
Base-Backbone interact. energy: -0.018
local terms energy: -68.438895
where:
bonds (distance) C4'-P energy: -12.340
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -13.454
flat angles P-C4'-P energy: -12.031
tors. eta vs tors. theta energy: -16.237
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: 3
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -175.505661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.505661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.505661 (E_RNA)
where:
Base-Base interactions energy: -112.923
where: short stacking energy: -49.462
Base-Backbone interact. energy: -0.003
local terms energy: -62.579419
where:
bonds (distance) C4'-P energy: -12.166
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -11.501
flat angles P-C4'-P energy: -8.086
tors. eta vs tors. theta energy: -18.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -167.995785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.995785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.995785 (E_RNA)
where:
Base-Base interactions energy: -120.036
where: short stacking energy: -50.492
Base-Backbone interact. energy: -0.002
local terms energy: -47.956891
where:
bonds (distance) C4'-P energy: -6.429
bonds (distance) P-C4' energy: -8.070
flat angles C4'-P-C4' energy: -11.735
flat angles P-C4'-P energy: -5.449
tors. eta vs tors. theta energy: -16.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -177.239572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.239572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.239572 (E_RNA)
where:
Base-Base interactions energy: -113.938
where: short stacking energy: -45.372
Base-Backbone interact. energy: -0.002
local terms energy: -63.299074
where:
bonds (distance) C4'-P energy: -13.098
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -13.331
flat angles P-C4'-P energy: -7.150
tors. eta vs tors. theta energy: -15.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -145.112454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.112454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.112454 (E_RNA)
where:
Base-Base interactions energy: -88.636
where: short stacking energy: -33.879
Base-Backbone interact. energy: -0.028
local terms energy: -56.448014
where:
bonds (distance) C4'-P energy: -12.250
bonds (distance) P-C4' energy: -11.972
flat angles C4'-P-C4' energy: -9.898
flat angles P-C4'-P energy: -9.207
tors. eta vs tors. theta energy: -13.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -84.934706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.934706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.934706 (E_RNA)
where:
Base-Base interactions energy: -46.223
where: short stacking energy: -14.868
Base-Backbone interact. energy: -0.251
local terms energy: -38.461369
where:
bonds (distance) C4'-P energy: -11.347
bonds (distance) P-C4' energy: -10.996
flat angles C4'-P-C4' energy: -9.562
flat angles P-C4'-P energy: -6.398
tors. eta vs tors. theta energy: -0.158
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: 2
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -71.585473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.585473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.585473 (E_RNA)
where:
Base-Base interactions energy: -33.561
where: short stacking energy: -17.735
Base-Backbone interact. energy: 2.531
local terms energy: -40.555925
where:
bonds (distance) C4'-P energy: -9.607
bonds (distance) P-C4' energy: -13.610
flat angles C4'-P-C4' energy: -8.649
flat angles P-C4'-P energy: -6.611
tors. eta vs tors. theta energy: -2.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -59.704730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.704730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.704730 (E_RNA)
where:
Base-Base interactions energy: -18.322
where: short stacking energy: -7.799
Base-Backbone interact. energy: -0.260
local terms energy: -41.122835
where:
bonds (distance) C4'-P energy: -9.384
bonds (distance) P-C4' energy: -11.718
flat angles C4'-P-C4' energy: -11.648
flat angles P-C4'-P energy: -9.681
tors. eta vs tors. theta energy: 1.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -68.033198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.033198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.033198 (E_RNA)
where:
Base-Base interactions energy: -22.046
where: short stacking energy: -21.997
Base-Backbone interact. energy: -0.105
local terms energy: -45.881618
where:
bonds (distance) C4'-P energy: -10.134
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -7.042
flat angles P-C4'-P energy: -6.894
tors. eta vs tors. theta energy: -7.653
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: 10, replica: 10
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -58.713286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.713286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.713286 (E_RNA)
where:
Base-Base interactions energy: -23.982
where: short stacking energy: -11.321
Base-Backbone interact. energy: -0.119
local terms energy: -34.612521
where:
bonds (distance) C4'-P energy: -13.790
bonds (distance) P-C4' energy: -7.507
flat angles C4'-P-C4' energy: -7.746
flat angles P-C4'-P energy: -5.782
tors. eta vs tors. theta energy: 0.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -181.383075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.383075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.383075 (E_RNA)
where:
Base-Base interactions energy: -115.788
where: short stacking energy: -45.887
Base-Backbone interact. energy: -0.093
local terms energy: -65.501654
where:
bonds (distance) C4'-P energy: -12.439
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -13.907
flat angles P-C4'-P energy: -10.135
tors. eta vs tors. theta energy: -15.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -184.426494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.426494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.426494 (E_RNA)
where:
Base-Base interactions energy: -120.131
where: short stacking energy: -45.989
Base-Backbone interact. energy: -0.073
local terms energy: -64.222026
where:
bonds (distance) C4'-P energy: -13.834
bonds (distance) P-C4' energy: -12.467
flat angles C4'-P-C4' energy: -12.099
flat angles P-C4'-P energy: -10.297
tors. eta vs tors. theta energy: -15.525
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: 3, replica: 9
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -175.254150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.254150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.254150 (E_RNA)
where:
Base-Base interactions energy: -112.562
where: short stacking energy: -47.808
Base-Backbone interact. energy: -0.005
local terms energy: -62.687508
where:
bonds (distance) C4'-P energy: -13.602
bonds (distance) P-C4' energy: -11.905
flat angles C4'-P-C4' energy: -13.363
flat angles P-C4'-P energy: -7.884
tors. eta vs tors. theta energy: -15.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -162.009132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.009132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.009132 (E_RNA)
where:
Base-Base interactions energy: -109.957
where: short stacking energy: -41.304
Base-Backbone interact. energy: 0.912
local terms energy: -52.964106
where:
bonds (distance) C4'-P energy: -14.145
bonds (distance) P-C4' energy: -13.901
flat angles C4'-P-C4' energy: -6.718
flat angles P-C4'-P energy: -6.160
tors. eta vs tors. theta energy: -12.039
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: 7
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -165.537068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.537068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.537068 (E_RNA)
where:
Base-Base interactions energy: -112.777
where: short stacking energy: -45.025
Base-Backbone interact. energy: -0.593
local terms energy: -52.166206
where:
bonds (distance) C4'-P energy: -9.927
bonds (distance) P-C4' energy: -11.478
flat angles C4'-P-C4' energy: -12.912
flat angles P-C4'-P energy: -5.763
tors. eta vs tors. theta energy: -12.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -74.484808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.484808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.484808 (E_RNA)
where:
Base-Base interactions energy: -25.327
where: short stacking energy: -25.327
Base-Backbone interact. energy: -0.054
local terms energy: -49.103855
where:
bonds (distance) C4'-P energy: -10.237
bonds (distance) P-C4' energy: -10.046
flat angles C4'-P-C4' energy: -13.955
flat angles P-C4'-P energy: -9.926
tors. eta vs tors. theta energy: -4.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -65.926994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.926994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.926994 (E_RNA)
where:
Base-Base interactions energy: -31.122
where: short stacking energy: -18.912
Base-Backbone interact. energy: 0.045
local terms energy: -34.850056
where:
bonds (distance) C4'-P energy: -10.370
bonds (distance) P-C4' energy: -13.018
flat angles C4'-P-C4' energy: -8.714
flat angles P-C4'-P energy: -4.286
tors. eta vs tors. theta energy: 1.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -94.461915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.461915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.461915 (E_RNA)
where:
Base-Base interactions energy: -46.618
where: short stacking energy: -16.631
Base-Backbone interact. energy: -0.946
local terms energy: -46.897990
where:
bonds (distance) C4'-P energy: -14.741
bonds (distance) P-C4' energy: -12.870
flat angles C4'-P-C4' energy: -9.868
flat angles P-C4'-P energy: -7.996
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: 9, replica: 10
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -56.453427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.453427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.453427 (E_RNA)
where:
Base-Base interactions energy: -23.221
where: short stacking energy: -16.327
Base-Backbone interact. energy: -0.005
local terms energy: -33.228312
where:
bonds (distance) C4'-P energy: -2.880
bonds (distance) P-C4' energy: -12.697
flat angles C4'-P-C4' energy: -10.446
flat angles P-C4'-P energy: -3.166
tors. eta vs tors. theta energy: -4.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -58.245429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.245429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.245429 (E_RNA)
where:
Base-Base interactions energy: -22.045
where: short stacking energy: -22.045
Base-Backbone interact. energy: -0.169
local terms energy: -36.031133
where:
bonds (distance) C4'-P energy: -8.801
bonds (distance) P-C4' energy: -8.665
flat angles C4'-P-C4' energy: -9.141
flat angles P-C4'-P energy: -6.291
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: 101
Temperature: 0.900000
Total energy: -181.112466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.112466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.112466 (E_RNA)
where:
Base-Base interactions energy: -116.818
where: short stacking energy: -49.064
Base-Backbone interact. energy: -0.003
local terms energy: -64.291482
where:
bonds (distance) C4'-P energy: -11.861
bonds (distance) P-C4' energy: -11.111
flat angles C4'-P-C4' energy: -14.500
flat angles P-C4'-P energy: -7.791
tors. eta vs tors. theta energy: -19.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -178.344637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.344637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.344637 (E_RNA)
where:
Base-Base interactions energy: -123.163
where: short stacking energy: -42.471
Base-Backbone interact. energy: -0.101
local terms energy: -55.081082
where:
bonds (distance) C4'-P energy: -13.694
bonds (distance) P-C4' energy: -8.921
flat angles C4'-P-C4' energy: -11.137
flat angles P-C4'-P energy: -7.402
tors. eta vs tors. theta energy: -13.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -173.485300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.485300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.485300 (E_RNA)
where:
Base-Base interactions energy: -111.756
where: short stacking energy: -48.124
Base-Backbone interact. energy: -0.000
local terms energy: -61.728432
where:
bonds (distance) C4'-P energy: -13.027
bonds (distance) P-C4' energy: -11.060
flat angles C4'-P-C4' energy: -13.346
flat angles P-C4'-P energy: -10.123
tors. eta vs tors. theta energy: -14.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -175.666563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.666563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.666563 (E_RNA)
where:
Base-Base interactions energy: -116.765
where: short stacking energy: -49.730
Base-Backbone interact. energy: -0.001
local terms energy: -58.900536
where:
bonds (distance) C4'-P energy: -11.403
bonds (distance) P-C4' energy: -12.749
flat angles C4'-P-C4' energy: -14.642
flat angles P-C4'-P energy: -2.005
tors. eta vs tors. theta energy: -18.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -170.370779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.370779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.370779 (E_RNA)
where:
Base-Base interactions energy: -113.683
where: short stacking energy: -43.649
Base-Backbone interact. energy: -0.081
local terms energy: -56.606858
where:
bonds (distance) C4'-P energy: -10.043
bonds (distance) P-C4' energy: -10.858
flat angles C4'-P-C4' energy: -11.883
flat angles P-C4'-P energy: -9.614
tors. eta vs tors. theta energy: -14.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -87.657641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.657641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.657641 (E_RNA)
where:
Base-Base interactions energy: -36.651
where: short stacking energy: -9.235
Base-Backbone interact. energy: 0.473
local terms energy: -51.479675
where:
bonds (distance) C4'-P energy: -11.934
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -12.873
flat angles P-C4'-P energy: -9.270
tors. eta vs tors. theta energy: -3.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -78.514497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.514497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.514497 (E_RNA)
where:
Base-Base interactions energy: -41.707
where: short stacking energy: -20.580
Base-Backbone interact. energy: -1.062
local terms energy: -35.746282
where:
bonds (distance) C4'-P energy: -7.076
bonds (distance) P-C4' energy: -10.644
flat angles C4'-P-C4' energy: -9.485
flat angles P-C4'-P energy: -8.749
tors. eta vs tors. theta energy: 0.209
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: 101
Temperature: 1.250000
Total energy: -76.044020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.044020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.044020 (E_RNA)
where:
Base-Base interactions energy: -35.111
where: short stacking energy: -18.256
Base-Backbone interact. energy: 0.022
local terms energy: -40.954744
where:
bonds (distance) C4'-P energy: -9.313
bonds (distance) P-C4' energy: -11.819
flat angles C4'-P-C4' energy: -11.343
flat angles P-C4'-P energy: -10.311
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: 9, replica: 2
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -85.294438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.294438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.294438 (E_RNA)
where:
Base-Base interactions energy: -38.082
where: short stacking energy: -17.892
Base-Backbone interact. energy: 0.097
local terms energy: -47.309753
where:
bonds (distance) C4'-P energy: -11.081
bonds (distance) P-C4' energy: -13.800
flat angles C4'-P-C4' energy: -11.683
flat angles P-C4'-P energy: -10.065
tors. eta vs tors. theta energy: -0.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -63.253668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.253668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.253668 (E_RNA)
where:
Base-Base interactions energy: -19.931
where: short stacking energy: -15.802
Base-Backbone interact. energy: -0.060
local terms energy: -43.263031
where:
bonds (distance) C4'-P energy: -13.805
bonds (distance) P-C4' energy: -12.970
flat angles C4'-P-C4' energy: -8.322
flat angles P-C4'-P energy: -3.351
tors. eta vs tors. theta energy: -4.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -179.646495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.646495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.646495 (E_RNA)
where:
Base-Base interactions energy: -118.383
where: short stacking energy: -48.035
Base-Backbone interact. energy: -0.140
local terms energy: -61.123419
where:
bonds (distance) C4'-P energy: -11.131
bonds (distance) P-C4' energy: -11.976
flat angles C4'-P-C4' energy: -12.695
flat angles P-C4'-P energy: -9.120
tors. eta vs tors. theta energy: -16.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -172.774042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.774042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.774042 (E_RNA)
where:
Base-Base interactions energy: -114.445
where: short stacking energy: -46.255
Base-Backbone interact. energy: -0.001
local terms energy: -58.327735
where:
bonds (distance) C4'-P energy: -6.317
bonds (distance) P-C4' energy: -12.356
flat angles C4'-P-C4' energy: -13.136
flat angles P-C4'-P energy: -10.182
tors. eta vs tors. theta energy: -16.337
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: 3, replica: 7
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -171.401298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.401298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.401298 (E_RNA)
where:
Base-Base interactions energy: -107.130
where: short stacking energy: -38.997
Base-Backbone interact. energy: -0.666
local terms energy: -63.604798
where:
bonds (distance) C4'-P energy: -12.278
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -12.171
flat angles P-C4'-P energy: -10.576
tors. eta vs tors. theta energy: -13.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -169.161505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.161505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.161505 (E_RNA)
where:
Base-Base interactions energy: -112.503
where: short stacking energy: -45.271
Base-Backbone interact. energy: 0.740
local terms energy: -57.398315
where:
bonds (distance) C4'-P energy: -9.072
bonds (distance) P-C4' energy: -12.841
flat angles C4'-P-C4' energy: -11.812
flat angles P-C4'-P energy: -7.064
tors. eta vs tors. theta energy: -16.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -132.900215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.900215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.900215 (E_RNA)
where:
Base-Base interactions energy: -82.913
where: short stacking energy: -33.269
Base-Backbone interact. energy: -0.046
local terms energy: -49.941069
where:
bonds (distance) C4'-P energy: -11.640
bonds (distance) P-C4' energy: -9.255
flat angles C4'-P-C4' energy: -13.513
flat angles P-C4'-P energy: -6.438
tors. eta vs tors. theta energy: -9.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -96.283918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.283918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.283918 (E_RNA)
where:
Base-Base interactions energy: -54.715
where: short stacking energy: -24.255
Base-Backbone interact. energy: -0.205
local terms energy: -41.364679
where:
bonds (distance) C4'-P energy: -12.297
bonds (distance) P-C4' energy: -10.969
flat angles C4'-P-C4' energy: -9.369
flat angles P-C4'-P energy: -6.861
tors. eta vs tors. theta energy: -1.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -83.464477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.464477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.464477 (E_RNA)
where:
Base-Base interactions energy: -42.726
where: short stacking energy: -16.199
Base-Backbone interact. energy: -0.191
local terms energy: -40.547776
where:
bonds (distance) C4'-P energy: -12.501
bonds (distance) P-C4' energy: -10.268
flat angles C4'-P-C4' energy: -8.979
flat angles P-C4'-P energy: -8.049
tors. eta vs tors. theta energy: -0.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -100.698469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.698469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.698469 (E_RNA)
where:
Base-Base interactions energy: -57.692
where: short stacking energy: -19.510
Base-Backbone interact. energy: -0.113
local terms energy: -42.892709
where:
bonds (distance) C4'-P energy: -10.486
bonds (distance) P-C4' energy: -9.528
flat angles C4'-P-C4' energy: -10.177
flat angles P-C4'-P energy: -6.731
tors. eta vs tors. theta energy: -5.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -59.191688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.191688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.191688 (E_RNA)
where:
Base-Base interactions energy: -21.729
where: short stacking energy: -15.495
Base-Backbone interact. energy: -0.099
local terms energy: -37.363840
where:
bonds (distance) C4'-P energy: -13.441
bonds (distance) P-C4' energy: -6.558
flat angles C4'-P-C4' energy: -8.490
flat angles P-C4'-P energy: -10.265
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: 10, replica: 2
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -61.897333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.897333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.897333 (E_RNA)
where:
Base-Base interactions energy: -18.932
where: short stacking energy: -7.249
Base-Backbone interact. energy: -0.135
local terms energy: -42.830707
where:
bonds (distance) C4'-P energy: -12.428
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -9.409
flat angles P-C4'-P energy: -4.888
tors. eta vs tors. theta energy: -1.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -182.431615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.431615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.431615 (E_RNA)
where:
Base-Base interactions energy: -117.221
where: short stacking energy: -49.381
Base-Backbone interact. energy: -0.002
local terms energy: -65.208545
where:
bonds (distance) C4'-P energy: -12.713
bonds (distance) P-C4' energy: -14.107
flat angles C4'-P-C4' energy: -12.664
flat angles P-C4'-P energy: -9.368
tors. eta vs tors. theta energy: -16.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -178.102392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.102392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.102392 (E_RNA)
where:
Base-Base interactions energy: -112.002
where: short stacking energy: -47.162
Base-Backbone interact. energy: -0.022
local terms energy: -66.078820
where:
bonds (distance) C4'-P energy: -11.830
bonds (distance) P-C4' energy: -12.809
flat angles C4'-P-C4' energy: -13.036
flat angles P-C4'-P energy: -11.005
tors. eta vs tors. theta energy: -17.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -177.501061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.501061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.501061 (E_RNA)
where:
Base-Base interactions energy: -114.171
where: short stacking energy: -50.433
Base-Backbone interact. energy: -0.007
local terms energy: -63.322816
where:
bonds (distance) C4'-P energy: -11.922
bonds (distance) P-C4' energy: -12.006
flat angles C4'-P-C4' energy: -12.514
flat angles P-C4'-P energy: -9.794
tors. eta vs tors. theta energy: -17.087
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: 6
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -175.810818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.810818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.810818 (E_RNA)
where:
Base-Base interactions energy: -109.911
where: short stacking energy: -46.579
Base-Backbone interact. energy: -1.376
local terms energy: -64.523253
where:
bonds (distance) C4'-P energy: -13.276
bonds (distance) P-C4' energy: -11.412
flat angles C4'-P-C4' energy: -12.966
flat angles P-C4'-P energy: -9.746
tors. eta vs tors. theta energy: -17.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -131.511325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.511325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.511325 (E_RNA)
where:
Base-Base interactions energy: -77.533
where: short stacking energy: -26.134
Base-Backbone interact. energy: -0.031
local terms energy: -53.946920
where:
bonds (distance) C4'-P energy: -12.083
bonds (distance) P-C4' energy: -9.871
flat angles C4'-P-C4' energy: -13.568
flat angles P-C4'-P energy: -7.933
tors. eta vs tors. theta energy: -10.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -100.208450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.208450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.208450 (E_RNA)
where:
Base-Base interactions energy: -53.472
where: short stacking energy: -17.832
Base-Backbone interact. energy: -0.312
local terms energy: -46.424429
where:
bonds (distance) C4'-P energy: -9.818
bonds (distance) P-C4' energy: -13.035
flat angles C4'-P-C4' energy: -9.787
flat angles P-C4'-P energy: -7.937
tors. eta vs tors. theta energy: -5.848
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: 10
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -61.835387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.835387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.835387 (E_RNA)
where:
Base-Base interactions energy: -23.779
where: short stacking energy: -9.823
Base-Backbone interact. energy: 2.313
local terms energy: -40.369744
where:
bonds (distance) C4'-P energy: -11.213
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -6.044
flat angles P-C4'-P energy: -7.763
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: 8, replica: 8
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -64.579854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.579854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.579854 (E_RNA)
where:
Base-Base interactions energy: -31.194
where: short stacking energy: -7.432
Base-Backbone interact. energy: -0.104
local terms energy: -33.281933
where:
bonds (distance) C4'-P energy: -12.191
bonds (distance) P-C4' energy: -12.440
flat angles C4'-P-C4' energy: -7.842
flat angles P-C4'-P energy: -4.976
tors. eta vs tors. theta energy: 4.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -62.994727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.994727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.994727 (E_RNA)
where:
Base-Base interactions energy: -21.430
where: short stacking energy: -13.212
Base-Backbone interact. energy: -0.346
local terms energy: -41.218370
where:
bonds (distance) C4'-P energy: -13.532
bonds (distance) P-C4' energy: -14.146
flat angles C4'-P-C4' energy: -11.815
flat angles P-C4'-P energy: -2.691
tors. eta vs tors. theta energy: 0.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -67.319654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.319654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.319654 (E_RNA)
where:
Base-Base interactions energy: -24.570
where: short stacking energy: -11.981
Base-Backbone interact. energy: -0.357
local terms energy: -42.392898
where:
bonds (distance) C4'-P energy: -12.749
bonds (distance) P-C4' energy: -11.091
flat angles C4'-P-C4' energy: -13.210
flat angles P-C4'-P energy: -6.266
tors. eta vs tors. theta energy: 0.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -180.514983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.514983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.514983 (E_RNA)
where:
Base-Base interactions energy: -120.199
where: short stacking energy: -51.254
Base-Backbone interact. energy: -0.007
local terms energy: -60.309346
where:
bonds (distance) C4'-P energy: -10.517
bonds (distance) P-C4' energy: -12.803
flat angles C4'-P-C4' energy: -11.668
flat angles P-C4'-P energy: -6.838
tors. eta vs tors. theta energy: -18.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -179.083384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.083384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.083384 (E_RNA)
where:
Base-Base interactions energy: -119.345
where: short stacking energy: -47.412
Base-Backbone interact. energy: -0.001
local terms energy: -59.737446
where:
bonds (distance) C4'-P energy: -7.462
bonds (distance) P-C4' energy: -13.702
flat angles C4'-P-C4' energy: -14.490
flat angles P-C4'-P energy: -7.175
tors. eta vs tors. theta energy: -16.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -175.786423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.786423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.786423 (E_RNA)
where:
Base-Base interactions energy: -117.764
where: short stacking energy: -48.121
Base-Backbone interact. energy: 0.111
local terms energy: -58.133206
where:
bonds (distance) C4'-P energy: -9.211
bonds (distance) P-C4' energy: -12.837
flat angles C4'-P-C4' energy: -10.613
flat angles P-C4'-P energy: -8.828
tors. eta vs tors. theta energy: -16.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -164.648065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.648065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.648065 (E_RNA)
where:
Base-Base interactions energy: -103.707
where: short stacking energy: -44.220
Base-Backbone interact. energy: -0.100
local terms energy: -60.841377
where:
bonds (distance) C4'-P energy: -10.866
bonds (distance) P-C4' energy: -13.315
flat angles C4'-P-C4' energy: -12.221
flat angles P-C4'-P energy: -10.099
tors. eta vs tors. theta energy: -14.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -140.962927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.962927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.962927 (E_RNA)
where:
Base-Base interactions energy: -93.184
where: short stacking energy: -31.363
Base-Backbone interact. energy: -0.318
local terms energy: -47.460404
where:
bonds (distance) C4'-P energy: -10.606
bonds (distance) P-C4' energy: -9.598
flat angles C4'-P-C4' energy: -14.183
flat angles P-C4'-P energy: -4.174
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: 6, replica: 4
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -71.745045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.745045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.745045 (E_RNA)
where:
Base-Base interactions energy: -29.617
where: short stacking energy: -14.039
Base-Backbone interact. energy: -0.716
local terms energy: -41.411574
where:
bonds (distance) C4'-P energy: -9.492
bonds (distance) P-C4' energy: -13.991
flat angles C4'-P-C4' energy: -9.043
flat angles P-C4'-P energy: -7.162
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: 7, replica: 8
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -63.560552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.560552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.560552 (E_RNA)
where:
Base-Base interactions energy: -20.571
where: short stacking energy: -13.737
Base-Backbone interact. energy: -0.127
local terms energy: -42.862483
where:
bonds (distance) C4'-P energy: -12.879
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -12.665
flat angles P-C4'-P energy: -3.637
tors. eta vs tors. theta energy: 1.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -65.470447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.470447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.470447 (E_RNA)
where:
Base-Base interactions energy: -19.254
where: short stacking energy: -19.254
Base-Backbone interact. energy: -0.000
local terms energy: -46.216068
where:
bonds (distance) C4'-P energy: -14.588
bonds (distance) P-C4' energy: -12.746
flat angles C4'-P-C4' energy: -11.553
flat angles P-C4'-P energy: 0.939
tors. eta vs tors. theta energy: -8.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -61.120732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.120732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.120732 (E_RNA)
where:
Base-Base interactions energy: -20.229
where: short stacking energy: -8.084
Base-Backbone interact. energy: -0.347
local terms energy: -40.544798
where:
bonds (distance) C4'-P energy: -9.521
bonds (distance) P-C4' energy: -10.643
flat angles C4'-P-C4' energy: -13.672
flat angles P-C4'-P energy: -9.531
tors. eta vs tors. theta energy: 2.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -60.324356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.324356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.324356 (E_RNA)
where:
Base-Base interactions energy: -18.125
where: short stacking energy: -18.125
Base-Backbone interact. energy: -0.852
local terms energy: -41.348012
where:
bonds (distance) C4'-P energy: -11.944
bonds (distance) P-C4' energy: -9.036
flat angles C4'-P-C4' energy: -9.984
flat angles P-C4'-P energy: -6.632
tors. eta vs tors. theta energy: -3.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -183.897432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.897432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.897432 (E_RNA)
where:
Base-Base interactions energy: -118.776
where: short stacking energy: -48.349
Base-Backbone interact. energy: -0.297
local terms energy: -64.823993
where:
bonds (distance) C4'-P energy: -10.618
bonds (distance) P-C4' energy: -14.685
flat angles C4'-P-C4' energy: -13.380
flat angles P-C4'-P energy: -8.516
tors. eta vs tors. theta energy: -17.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -172.531777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.531777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.531777 (E_RNA)
where:
Base-Base interactions energy: -108.773
where: short stacking energy: -46.049
Base-Backbone interact. energy: -0.099
local terms energy: -63.659138
where:
bonds (distance) C4'-P energy: -12.982
bonds (distance) P-C4' energy: -12.473
flat angles C4'-P-C4' energy: -13.801
flat angles P-C4'-P energy: -7.655
tors. eta vs tors. theta energy: -16.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -176.177090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.177090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.177090 (E_RNA)
where:
Base-Base interactions energy: -120.777
where: short stacking energy: -36.889
Base-Backbone interact. energy: -0.093
local terms energy: -55.306657
where:
bonds (distance) C4'-P energy: -12.279
bonds (distance) P-C4' energy: -11.413
flat angles C4'-P-C4' energy: -13.833
flat angles P-C4'-P energy: -7.020
tors. eta vs tors. theta energy: -10.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -170.252426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.252426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.252426 (E_RNA)
where:
Base-Base interactions energy: -119.931
where: short stacking energy: -43.468
Base-Backbone interact. energy: -0.149
local terms energy: -50.171612
where:
bonds (distance) C4'-P energy: -7.102
bonds (distance) P-C4' energy: -10.949
flat angles C4'-P-C4' energy: -12.875
flat angles P-C4'-P energy: -6.782
tors. eta vs tors. theta energy: -12.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -130.994273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.994273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.994273 (E_RNA)
where:
Base-Base interactions energy: -81.703
where: short stacking energy: -29.575
Base-Backbone interact. energy: -0.027
local terms energy: -49.264694
where:
bonds (distance) C4'-P energy: -12.414
bonds (distance) P-C4' energy: -12.377
flat angles C4'-P-C4' energy: -3.333
flat angles P-C4'-P energy: -9.455
tors. eta vs tors. theta energy: -11.685
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: 8
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -82.228032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.228032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.228032 (E_RNA)
where:
Base-Base interactions energy: -38.532
where: short stacking energy: -21.295
Base-Backbone interact. energy: -0.034
local terms energy: -43.662078
where:
bonds (distance) C4'-P energy: -10.358
bonds (distance) P-C4' energy: -13.218
flat angles C4'-P-C4' energy: -9.139
flat angles P-C4'-P energy: -8.874
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: 7, replica: 4
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -77.558761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.558761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.558761 (E_RNA)
where:
Base-Base interactions energy: -40.109
where: short stacking energy: -18.265
Base-Backbone interact. energy: -0.284
local terms energy: -37.166209
where:
bonds (distance) C4'-P energy: -11.967
bonds (distance) P-C4' energy: -10.841
flat angles C4'-P-C4' energy: -13.697
flat angles P-C4'-P energy: -3.346
tors. eta vs tors. theta energy: 2.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -73.875669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.875669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.875669 (E_RNA)
where:
Base-Base interactions energy: -33.274
where: short stacking energy: -16.889
Base-Backbone interact. energy: -0.089
local terms energy: -40.511970
where:
bonds (distance) C4'-P energy: -9.691
bonds (distance) P-C4' energy: -12.560
flat angles C4'-P-C4' energy: -9.136
flat angles P-C4'-P energy: -8.718
tors. eta vs tors. theta energy: -0.407
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: 2
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -70.852899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.852899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.852899 (E_RNA)
where:
Base-Base interactions energy: -28.037
where: short stacking energy: -6.757
Base-Backbone interact. energy: -0.281
local terms energy: -42.535506
where:
bonds (distance) C4'-P energy: -12.855
bonds (distance) P-C4' energy: -14.255
flat angles C4'-P-C4' energy: -8.167
flat angles P-C4'-P energy: -9.042
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: 5
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -60.783139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.783139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.783139 (E_RNA)
where:
Base-Base interactions energy: -26.020
where: short stacking energy: -13.798
Base-Backbone interact. energy: -0.237
local terms energy: -34.526628
where:
bonds (distance) C4'-P energy: -8.035
bonds (distance) P-C4' energy: -10.712
flat angles C4'-P-C4' energy: -8.291
flat angles P-C4'-P energy: -4.967
tors. eta vs tors. theta energy: -2.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -182.231487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.231487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.231487 (E_RNA)
where:
Base-Base interactions energy: -119.995
where: short stacking energy: -48.696
Base-Backbone interact. energy: -0.000
local terms energy: -62.236304
where:
bonds (distance) C4'-P energy: -13.143
bonds (distance) P-C4' energy: -11.126
flat angles C4'-P-C4' energy: -14.462
flat angles P-C4'-P energy: -8.346
tors. eta vs tors. theta energy: -15.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -182.849534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.849534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.849534 (E_RNA)
where:
Base-Base interactions energy: -123.805
where: short stacking energy: -46.573
Base-Backbone interact. energy: -0.067
local terms energy: -58.977978
where:
bonds (distance) C4'-P energy: -10.991
bonds (distance) P-C4' energy: -9.985
flat angles C4'-P-C4' energy: -11.629
flat angles P-C4'-P energy: -9.042
tors. eta vs tors. theta energy: -17.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -171.717818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.717818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.717818 (E_RNA)
where:
Base-Base interactions energy: -107.106
where: short stacking energy: -40.325
Base-Backbone interact. energy: -0.188
local terms energy: -64.424093
where:
bonds (distance) C4'-P energy: -14.501
bonds (distance) P-C4' energy: -15.355
flat angles C4'-P-C4' energy: -14.059
flat angles P-C4'-P energy: -8.727
tors. eta vs tors. theta energy: -11.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -170.704718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.704718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.704718 (E_RNA)
where:
Base-Base interactions energy: -112.438
where: short stacking energy: -37.162
Base-Backbone interact. energy: -0.242
local terms energy: -58.024414
where:
bonds (distance) C4'-P energy: -6.950
bonds (distance) P-C4' energy: -12.740
flat angles C4'-P-C4' energy: -12.689
flat angles P-C4'-P energy: -9.236
tors. eta vs tors. theta energy: -16.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -169.537505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.537505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.537505 (E_RNA)
where:
Base-Base interactions energy: -115.412
where: short stacking energy: -48.685
Base-Backbone interact. energy: -0.004
local terms energy: -54.120950
where:
bonds (distance) C4'-P energy: -10.034
bonds (distance) P-C4' energy: -10.788
flat angles C4'-P-C4' energy: -10.831
flat angles P-C4'-P energy: -6.331
tors. eta vs tors. theta energy: -16.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -72.211283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.211283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.211283 (E_RNA)
where:
Base-Base interactions energy: -31.932
where: short stacking energy: -23.913
Base-Backbone interact. energy: -0.029
local terms energy: -40.250737
where:
bonds (distance) C4'-P energy: -11.790
bonds (distance) P-C4' energy: -14.668
flat angles C4'-P-C4' energy: -8.178
flat angles P-C4'-P energy: -3.373
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: 7, replica: 10
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -58.412917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.412917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.412917 (E_RNA)
where:
Base-Base interactions energy: -12.467
where: short stacking energy: -11.196
Base-Backbone interact. energy: -0.413
local terms energy: -45.532681
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -12.370
flat angles C4'-P-C4' energy: -11.690
flat angles P-C4'-P energy: -10.437
tors. eta vs tors. theta energy: 1.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -107.957669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.957669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.957669 (E_RNA)
where:
Base-Base interactions energy: -66.186
where: short stacking energy: -22.584
Base-Backbone interact. energy: -0.064
local terms energy: -41.707677
where:
bonds (distance) C4'-P energy: -13.640
bonds (distance) P-C4' energy: -9.355
flat angles C4'-P-C4' energy: -7.975
flat angles P-C4'-P energy: -4.911
tors. eta vs tors. theta energy: -5.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -61.683796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.683796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.683796 (E_RNA)
where:
Base-Base interactions energy: -26.977
where: short stacking energy: -22.500
Base-Backbone interact. energy: 0.802
local terms energy: -35.508840
where:
bonds (distance) C4'-P energy: -11.080
bonds (distance) P-C4' energy: -9.667
flat angles C4'-P-C4' energy: -10.136
flat angles P-C4'-P energy: -5.809
tors. eta vs tors. theta energy: 1.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -65.008204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.008204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.008204 (E_RNA)
where:
Base-Base interactions energy: -24.559
where: short stacking energy: -10.341
Base-Backbone interact. energy: -0.237
local terms energy: -40.212731
where:
bonds (distance) C4'-P energy: -12.776
bonds (distance) P-C4' energy: -11.188
flat angles C4'-P-C4' energy: -12.401
flat angles P-C4'-P energy: -7.079
tors. eta vs tors. theta energy: 3.232
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: 3
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -181.847184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.847184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.847184 (E_RNA)
where:
Base-Base interactions energy: -118.385
where: short stacking energy: -47.131
Base-Backbone interact. energy: -0.001
local terms energy: -63.460562
where:
bonds (distance) C4'-P energy: -12.460
bonds (distance) P-C4' energy: -13.892
flat angles C4'-P-C4' energy: -14.108
flat angles P-C4'-P energy: -7.236
tors. eta vs tors. theta energy: -15.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -168.967421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.967421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.967421 (E_RNA)
where:
Base-Base interactions energy: -109.112
where: short stacking energy: -43.775
Base-Backbone interact. energy: 1.647
local terms energy: -61.501507
where:
bonds (distance) C4'-P energy: -9.305
bonds (distance) P-C4' energy: -12.374
flat angles C4'-P-C4' energy: -13.392
flat angles P-C4'-P energy: -9.407
tors. eta vs tors. theta energy: -17.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -175.768109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.768109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.768109 (E_RNA)
where:
Base-Base interactions energy: -110.468
where: short stacking energy: -42.357
Base-Backbone interact. energy: -0.017
local terms energy: -65.283151
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -13.775
flat angles C4'-P-C4' energy: -13.469
flat angles P-C4'-P energy: -10.071
tors. eta vs tors. theta energy: -14.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -170.775124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.775124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.775124 (E_RNA)
where:
Base-Base interactions energy: -109.521
where: short stacking energy: -48.129
Base-Backbone interact. energy: -0.018
local terms energy: -61.236300
where:
bonds (distance) C4'-P energy: -13.578
bonds (distance) P-C4' energy: -9.563
flat angles C4'-P-C4' energy: -11.470
flat angles P-C4'-P energy: -9.514
tors. eta vs tors. theta energy: -17.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -168.820683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.820683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.820683 (E_RNA)
where:
Base-Base interactions energy: -111.248
where: short stacking energy: -46.938
Base-Backbone interact. energy: -0.005
local terms energy: -57.568217
where:
bonds (distance) C4'-P energy: -9.274
bonds (distance) P-C4' energy: -12.483
flat angles C4'-P-C4' energy: -13.268
flat angles P-C4'-P energy: -5.561
tors. eta vs tors. theta energy: -16.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -68.049111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.049111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.049111 (E_RNA)
where:
Base-Base interactions energy: -34.799
where: short stacking energy: -9.617
Base-Backbone interact. energy: 0.717
local terms energy: -33.967300
where:
bonds (distance) C4'-P energy: -10.093
bonds (distance) P-C4' energy: -10.392
flat angles C4'-P-C4' energy: -9.742
flat angles P-C4'-P energy: -8.608
tors. eta vs tors. theta energy: 4.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -69.598791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.598791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.598791 (E_RNA)
where:
Base-Base interactions energy: -32.433
where: short stacking energy: -23.588
Base-Backbone interact. energy: -0.648
local terms energy: -36.518266
where:
bonds (distance) C4'-P energy: -9.811
bonds (distance) P-C4' energy: -11.513
flat angles C4'-P-C4' energy: -11.501
flat angles P-C4'-P energy: -3.605
tors. eta vs tors. theta energy: -0.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -132.336129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.336129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.336129 (E_RNA)
where:
Base-Base interactions energy: -89.831
where: short stacking energy: -33.016
Base-Backbone interact. energy: -0.065
local terms energy: -42.440177
where:
bonds (distance) C4'-P energy: -10.288
bonds (distance) P-C4' energy: -7.016
flat angles C4'-P-C4' energy: -6.348
flat angles P-C4'-P energy: -7.421
tors. eta vs tors. theta energy: -11.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -55.465023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.465023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.465023 (E_RNA)
where:
Base-Base interactions energy: -12.187
where: short stacking energy: -2.405
Base-Backbone interact. energy: -0.340
local terms energy: -42.938791
where:
bonds (distance) C4'-P energy: -10.676
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -13.765
flat angles P-C4'-P energy: -8.794
tors. eta vs tors. theta energy: 4.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -63.365137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.365137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.365137 (E_RNA)
where:
Base-Base interactions energy: -36.377
where: short stacking energy: -7.892
Base-Backbone interact. energy: -0.603
local terms energy: -26.384645
where:
bonds (distance) C4'-P energy: -7.862
bonds (distance) P-C4' energy: -7.012
flat angles C4'-P-C4' energy: -1.018
flat angles P-C4'-P energy: -8.192
tors. eta vs tors. theta energy: -2.301
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: 108
Temperature: 0.900000
Total energy: -173.845255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.845255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.845255 (E_RNA)
where:
Base-Base interactions energy: -115.029
where: short stacking energy: -43.977
Base-Backbone interact. energy: -0.442
local terms energy: -58.374827
where:
bonds (distance) C4'-P energy: -10.125
bonds (distance) P-C4' energy: -11.023
flat angles C4'-P-C4' energy: -14.325
flat angles P-C4'-P energy: -8.310
tors. eta vs tors. theta energy: -14.593
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: 3
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -181.729532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.729532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.729532 (E_RNA)
where:
Base-Base interactions energy: -115.152
where: short stacking energy: -47.983
Base-Backbone interact. energy: 0.188
local terms energy: -66.764926
where:
bonds (distance) C4'-P energy: -13.744
bonds (distance) P-C4' energy: -13.814
flat angles C4'-P-C4' energy: -12.908
flat angles P-C4'-P energy: -10.785
tors. eta vs tors. theta energy: -15.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -171.814813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.814813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.814813 (E_RNA)
where:
Base-Base interactions energy: -110.936
where: short stacking energy: -36.967
Base-Backbone interact. energy: -0.043
local terms energy: -60.835693
where:
bonds (distance) C4'-P energy: -12.679
bonds (distance) P-C4' energy: -11.859
flat angles C4'-P-C4' energy: -13.526
flat angles P-C4'-P energy: -10.204
tors. eta vs tors. theta energy: -12.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -173.805517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.805517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.805517 (E_RNA)
where:
Base-Base interactions energy: -114.880
where: short stacking energy: -39.311
Base-Backbone interact. energy: -0.645
local terms energy: -58.281015
where:
bonds (distance) C4'-P energy: -11.844
bonds (distance) P-C4' energy: -10.538
flat angles C4'-P-C4' energy: -12.680
flat angles P-C4'-P energy: -8.756
tors. eta vs tors. theta energy: -14.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -166.324311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.324311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.324311 (E_RNA)
where:
Base-Base interactions energy: -113.249
where: short stacking energy: -45.363
Base-Backbone interact. energy: -0.007
local terms energy: -53.068391
where:
bonds (distance) C4'-P energy: -5.016
bonds (distance) P-C4' energy: -11.084
flat angles C4'-P-C4' energy: -10.679
flat angles P-C4'-P energy: -9.697
tors. eta vs tors. theta energy: -16.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -76.907666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.907666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.907666 (E_RNA)
where:
Base-Base interactions energy: -33.687
where: short stacking energy: -14.419
Base-Backbone interact. energy: -0.092
local terms energy: -43.128466
where:
bonds (distance) C4'-P energy: -13.570
bonds (distance) P-C4' energy: -11.653
flat angles C4'-P-C4' energy: -13.994
flat angles P-C4'-P energy: -3.181
tors. eta vs tors. theta energy: -0.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -147.179861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.179861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.179861 (E_RNA)
where:
Base-Base interactions energy: -99.909
where: short stacking energy: -34.812
Base-Backbone interact. energy: -0.079
local terms energy: -47.192049
where:
bonds (distance) C4'-P energy: -10.805
bonds (distance) P-C4' energy: -9.546
flat angles C4'-P-C4' energy: -11.607
flat angles P-C4'-P energy: -3.221
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: 8, replica: 8
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -67.312006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.312006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.312006 (E_RNA)
where:
Base-Base interactions energy: -28.504
where: short stacking energy: -16.279
Base-Backbone interact. energy: -0.145
local terms energy: -38.663809
where:
bonds (distance) C4'-P energy: -12.473
bonds (distance) P-C4' energy: -12.580
flat angles C4'-P-C4' energy: -8.895
flat angles P-C4'-P energy: -5.614
tors. eta vs tors. theta energy: 0.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -69.326028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.326028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.326028 (E_RNA)
where:
Base-Base interactions energy: -28.234
where: short stacking energy: -23.310
Base-Backbone interact. energy: -0.674
local terms energy: -40.418087
where:
bonds (distance) C4'-P energy: -12.493
bonds (distance) P-C4' energy: -11.747
flat angles C4'-P-C4' energy: -6.495
flat angles P-C4'-P energy: -8.024
tors. eta vs tors. theta energy: -1.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -78.228099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.228099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.228099 (E_RNA)
where:
Base-Base interactions energy: -36.464
where: short stacking energy: -16.609
Base-Backbone interact. energy: -0.154
local terms energy: -41.609220
where:
bonds (distance) C4'-P energy: -11.144
bonds (distance) P-C4' energy: -13.600
flat angles C4'-P-C4' energy: -8.956
flat angles P-C4'-P energy: -7.280
tors. eta vs tors. theta energy: -0.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -182.812072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.812072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.812072 (E_RNA)
where:
Base-Base interactions energy: -118.427
where: short stacking energy: -46.786
Base-Backbone interact. energy: -0.001
local terms energy: -64.383985
where:
bonds (distance) C4'-P energy: -10.207
bonds (distance) P-C4' energy: -14.318
flat angles C4'-P-C4' energy: -13.582
flat angles P-C4'-P energy: -10.787
tors. eta vs tors. theta energy: -15.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -180.319625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.319625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.319625 (E_RNA)
where:
Base-Base interactions energy: -116.902
where: short stacking energy: -47.721
Base-Backbone interact. energy: -0.686
local terms energy: -62.732289
where:
bonds (distance) C4'-P energy: -9.496
bonds (distance) P-C4' energy: -14.914
flat angles C4'-P-C4' energy: -11.950
flat angles P-C4'-P energy: -7.748
tors. eta vs tors. theta energy: -18.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -177.175505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.175505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.175505 (E_RNA)
where:
Base-Base interactions energy: -113.807
where: short stacking energy: -38.956
Base-Backbone interact. energy: -0.082
local terms energy: -63.286440
where:
bonds (distance) C4'-P energy: -11.305
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -12.491
flat angles P-C4'-P energy: -8.601
tors. eta vs tors. theta energy: -15.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -165.530858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.530858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.530858 (E_RNA)
where:
Base-Base interactions energy: -105.409
where: short stacking energy: -40.362
Base-Backbone interact. energy: -0.002
local terms energy: -60.119310
where:
bonds (distance) C4'-P energy: -12.361
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -9.387
flat angles P-C4'-P energy: -5.659
tors. eta vs tors. theta energy: -18.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -170.702110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.702110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.702110 (E_RNA)
where:
Base-Base interactions energy: -110.626
where: short stacking energy: -44.790
Base-Backbone interact. energy: -0.106
local terms energy: -59.969752
where:
bonds (distance) C4'-P energy: -11.773
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -13.308
flat angles P-C4'-P energy: -4.500
tors. eta vs tors. theta energy: -16.674
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: 10
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -87.840113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.840113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.840113 (E_RNA)
where:
Base-Base interactions energy: -39.169
where: short stacking energy: -17.845
Base-Backbone interact. energy: -0.053
local terms energy: -48.617787
where:
bonds (distance) C4'-P energy: -12.858
bonds (distance) P-C4' energy: -11.721
flat angles C4'-P-C4' energy: -10.684
flat angles P-C4'-P energy: -8.747
tors. eta vs tors. theta energy: -4.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -67.728216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.728216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.728216 (E_RNA)
where:
Base-Base interactions energy: -20.513
where: short stacking energy: -20.513
Base-Backbone interact. energy: 1.142
local terms energy: -48.356611
where:
bonds (distance) C4'-P energy: -12.920
bonds (distance) P-C4' energy: -11.454
flat angles C4'-P-C4' energy: -13.515
flat angles P-C4'-P energy: -8.327
tors. eta vs tors. theta energy: -2.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -71.732530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.732530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.732530 (E_RNA)
where:
Base-Base interactions energy: -35.544
where: short stacking energy: -20.064
Base-Backbone interact. energy: -0.305
local terms energy: -35.883936
where:
bonds (distance) C4'-P energy: -3.663
bonds (distance) P-C4' energy: -12.492
flat angles C4'-P-C4' energy: -10.262
flat angles P-C4'-P energy: -4.339
tors. eta vs tors. theta energy: -5.127
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: 8
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -56.659960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.659960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.659960 (E_RNA)
where:
Base-Base interactions energy: -22.044
where: short stacking energy: -12.954
Base-Backbone interact. energy: -0.263
local terms energy: -34.352101
where:
bonds (distance) C4'-P energy: -12.840
bonds (distance) P-C4' energy: -12.589
flat angles C4'-P-C4' energy: -10.008
flat angles P-C4'-P energy: -3.077
tors. eta vs tors. theta energy: 4.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -71.541695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.541695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.541695 (E_RNA)
where:
Base-Base interactions energy: -32.528
where: short stacking energy: -22.394
Base-Backbone interact. energy: -0.307
local terms energy: -38.706515
where:
bonds (distance) C4'-P energy: -7.008
bonds (distance) P-C4' energy: -13.490
flat angles C4'-P-C4' energy: -7.729
flat angles P-C4'-P energy: -3.362
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: 1, replica: 9
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -178.607046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.607046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.607046 (E_RNA)
where:
Base-Base interactions energy: -116.355
where: short stacking energy: -39.359
Base-Backbone interact. energy: -0.621
local terms energy: -61.631181
where:
bonds (distance) C4'-P energy: -12.617
bonds (distance) P-C4' energy: -13.836
flat angles C4'-P-C4' energy: -13.520
flat angles P-C4'-P energy: -9.729
tors. eta vs tors. theta energy: -11.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -167.149657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.149657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.149657 (E_RNA)
where:
Base-Base interactions energy: -109.753
where: short stacking energy: -41.233
Base-Backbone interact. energy: -0.097
local terms energy: -57.299726
where:
bonds (distance) C4'-P energy: -11.645
bonds (distance) P-C4' energy: -12.978
flat angles C4'-P-C4' energy: -12.471
flat angles P-C4'-P energy: -7.588
tors. eta vs tors. theta energy: -12.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -172.735933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.735933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.735933 (E_RNA)
where:
Base-Base interactions energy: -119.527
where: short stacking energy: -37.681
Base-Backbone interact. energy: -0.211
local terms energy: -52.997737
where:
bonds (distance) C4'-P energy: -12.634
bonds (distance) P-C4' energy: -14.131
flat angles C4'-P-C4' energy: -10.598
flat angles P-C4'-P energy: -4.373
tors. eta vs tors. theta energy: -11.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -169.791392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.791392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.791392 (E_RNA)
where:
Base-Base interactions energy: -112.648
where: short stacking energy: -38.011
Base-Backbone interact. energy: -0.154
local terms energy: -56.989538
where:
bonds (distance) C4'-P energy: -9.853
bonds (distance) P-C4' energy: -10.611
flat angles C4'-P-C4' energy: -12.041
flat angles P-C4'-P energy: -11.120
tors. eta vs tors. theta energy: -13.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -163.667764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.667764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.667764 (E_RNA)
where:
Base-Base interactions energy: -104.553
where: short stacking energy: -39.559
Base-Backbone interact. energy: -0.002
local terms energy: -59.112789
where:
bonds (distance) C4'-P energy: -12.916
bonds (distance) P-C4' energy: -10.601
flat angles C4'-P-C4' energy: -9.278
flat angles P-C4'-P energy: -9.187
tors. eta vs tors. theta energy: -17.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -74.078706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.078706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.078706 (E_RNA)
where:
Base-Base interactions energy: -21.998
where: short stacking energy: -9.032
Base-Backbone interact. energy: -0.194
local terms energy: -51.886749
where:
bonds (distance) C4'-P energy: -12.902
bonds (distance) P-C4' energy: -12.895
flat angles C4'-P-C4' energy: -14.752
flat angles P-C4'-P energy: -4.693
tors. eta vs tors. theta energy: -6.644
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: 7, replica: 2
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -70.658066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.658066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.658066 (E_RNA)
where:
Base-Base interactions energy: -26.353
where: short stacking energy: -9.411
Base-Backbone interact. energy: -0.174
local terms energy: -44.131795
where:
bonds (distance) C4'-P energy: -10.621
bonds (distance) P-C4' energy: -15.122
flat angles C4'-P-C4' energy: -11.542
flat angles P-C4'-P energy: -4.724
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: 8, replica: 4
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -73.830209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.830209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.830209 (E_RNA)
where:
Base-Base interactions energy: -36.202
where: short stacking energy: -26.544
Base-Backbone interact. energy: -0.174
local terms energy: -37.454623
where:
bonds (distance) C4'-P energy: -11.781
bonds (distance) P-C4' energy: -13.010
flat angles C4'-P-C4' energy: -2.484
flat angles P-C4'-P energy: -2.985
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: 9, replica: 5
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -63.298960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.298960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.298960 (E_RNA)
where:
Base-Base interactions energy: -22.738
where: short stacking energy: -13.544
Base-Backbone interact. energy: -0.058
local terms energy: -40.503621
where:
bonds (distance) C4'-P energy: -13.425
bonds (distance) P-C4' energy: -14.554
flat angles C4'-P-C4' energy: -7.664
flat angles P-C4'-P energy: -4.011
tors. eta vs tors. theta energy: -0.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -55.566557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.566557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.566557 (E_RNA)
where:
Base-Base interactions energy: -15.271
where: short stacking energy: -14.619
Base-Backbone interact. energy: -0.221
local terms energy: -40.074278
where:
bonds (distance) C4'-P energy: -9.429
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -11.454
flat angles P-C4'-P energy: -9.702
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: 9
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -178.929406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.929406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.929406 (E_RNA)
where:
Base-Base interactions energy: -111.683
where: short stacking energy: -48.266
Base-Backbone interact. energy: -0.025
local terms energy: -67.221255
where:
bonds (distance) C4'-P energy: -12.025
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -13.573
flat angles P-C4'-P energy: -11.386
tors. eta vs tors. theta energy: -16.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -179.367291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.367291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.367291 (E_RNA)
where:
Base-Base interactions energy: -121.332
where: short stacking energy: -35.890
Base-Backbone interact. energy: -0.050
local terms energy: -57.984541
where:
bonds (distance) C4'-P energy: -12.600
bonds (distance) P-C4' energy: -13.690
flat angles C4'-P-C4' energy: -12.941
flat angles P-C4'-P energy: -5.289
tors. eta vs tors. theta energy: -13.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -175.838553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.838553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.838553 (E_RNA)
where:
Base-Base interactions energy: -111.955
where: short stacking energy: -48.092
Base-Backbone interact. energy: -0.060
local terms energy: -63.823992
where:
bonds (distance) C4'-P energy: -10.822
bonds (distance) P-C4' energy: -14.407
flat angles C4'-P-C4' energy: -13.006
flat angles P-C4'-P energy: -10.018
tors. eta vs tors. theta energy: -15.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -173.710650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.710650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.710650 (E_RNA)
where:
Base-Base interactions energy: -117.811
where: short stacking energy: -44.858
Base-Backbone interact. energy: -0.010
local terms energy: -55.889403
where:
bonds (distance) C4'-P energy: -10.809
bonds (distance) P-C4' energy: -10.901
flat angles C4'-P-C4' energy: -11.270
flat angles P-C4'-P energy: -6.994
tors. eta vs tors. theta energy: -15.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -161.241373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.241373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.241373 (E_RNA)
where:
Base-Base interactions energy: -99.054
where: short stacking energy: -38.404
Base-Backbone interact. energy: -0.081
local terms energy: -62.106266
where:
bonds (distance) C4'-P energy: -12.270
bonds (distance) P-C4' energy: -14.554
flat angles C4'-P-C4' energy: -11.930
flat angles P-C4'-P energy: -6.022
tors. eta vs tors. theta energy: -17.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -94.947583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.947583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.947583 (E_RNA)
where:
Base-Base interactions energy: -51.089
where: short stacking energy: -25.165
Base-Backbone interact. energy: -0.038
local terms energy: -43.820215
where:
bonds (distance) C4'-P energy: -12.956
bonds (distance) P-C4' energy: -11.824
flat angles C4'-P-C4' energy: -13.172
flat angles P-C4'-P energy: -2.479
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: 7, replica: 10
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -79.815411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.815411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.815411 (E_RNA)
where:
Base-Base interactions energy: -41.325
where: short stacking energy: -17.814
Base-Backbone interact. energy: -0.291
local terms energy: -38.199351
where:
bonds (distance) C4'-P energy: -11.412
bonds (distance) P-C4' energy: -14.290
flat angles C4'-P-C4' energy: -10.851
flat angles P-C4'-P energy: -2.501
tors. eta vs tors. theta energy: 0.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -67.452148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.452148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.452148 (E_RNA)
where:
Base-Base interactions energy: -24.342
where: short stacking energy: -20.964
Base-Backbone interact. energy: -0.118
local terms energy: -42.992291
where:
bonds (distance) C4'-P energy: -10.137
bonds (distance) P-C4' energy: -12.097
flat angles C4'-P-C4' energy: -12.927
flat angles P-C4'-P energy: -4.678
tors. eta vs tors. theta energy: -3.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -68.709890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.709890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.709890 (E_RNA)
where:
Base-Base interactions energy: -24.882
where: short stacking energy: -24.882
Base-Backbone interact. energy: -0.003
local terms energy: -43.824571
where:
bonds (distance) C4'-P energy: -10.453
bonds (distance) P-C4' energy: -11.751
flat angles C4'-P-C4' energy: -7.477
flat angles P-C4'-P energy: -5.777
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: 10, replica: 8
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -64.019810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.019810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.019810 (E_RNA)
where:
Base-Base interactions energy: -22.198
where: short stacking energy: -13.816
Base-Backbone interact. energy: -0.430
local terms energy: -41.391609
where:
bonds (distance) C4'-P energy: -12.493
bonds (distance) P-C4' energy: -13.118
flat angles C4'-P-C4' energy: -9.991
flat angles P-C4'-P energy: -4.896
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: 9
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -177.771184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.771184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.771184 (E_RNA)
where:
Base-Base interactions energy: -119.798
where: short stacking energy: -42.025
Base-Backbone interact. energy: -0.089
local terms energy: -57.884936
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -12.800
flat angles C4'-P-C4' energy: -13.493
flat angles P-C4'-P energy: -2.629
tors. eta vs tors. theta energy: -15.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -179.546410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.546410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.546410 (E_RNA)
where:
Base-Base interactions energy: -121.201
where: short stacking energy: -37.700
Base-Backbone interact. energy: -0.505
local terms energy: -57.840151
where:
bonds (distance) C4'-P energy: -11.375
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -13.563
flat angles P-C4'-P energy: -7.307
tors. eta vs tors. theta energy: -12.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -175.072985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.072985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.072985 (E_RNA)
where:
Base-Base interactions energy: -116.189
where: short stacking energy: -45.648
Base-Backbone interact. energy: -0.312
local terms energy: -58.571576
where:
bonds (distance) C4'-P energy: -12.937
bonds (distance) P-C4' energy: -14.033
flat angles C4'-P-C4' energy: -9.048
flat angles P-C4'-P energy: -6.701
tors. eta vs tors. theta energy: -15.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -167.335290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.335290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.335290 (E_RNA)
where:
Base-Base interactions energy: -109.952
where: short stacking energy: -45.699
Base-Backbone interact. energy: -0.041
local terms energy: -57.342406
where:
bonds (distance) C4'-P energy: -9.438
bonds (distance) P-C4' energy: -14.106
flat angles C4'-P-C4' energy: -10.215
flat angles P-C4'-P energy: -7.972
tors. eta vs tors. theta energy: -15.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -171.514473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.514473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.514473 (E_RNA)
where:
Base-Base interactions energy: -107.363
where: short stacking energy: -41.415
Base-Backbone interact. energy: -0.003
local terms energy: -64.148812
where:
bonds (distance) C4'-P energy: -10.746
bonds (distance) P-C4' energy: -13.291
flat angles C4'-P-C4' energy: -12.280
flat angles P-C4'-P energy: -10.396
tors. eta vs tors. theta energy: -17.436
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: 2
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -102.346776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.346776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.346776 (E_RNA)
where:
Base-Base interactions energy: -56.453
where: short stacking energy: -24.021
Base-Backbone interact. energy: -0.039
local terms energy: -45.855528
where:
bonds (distance) C4'-P energy: -9.487
bonds (distance) P-C4' energy: -13.110
flat angles C4'-P-C4' energy: -13.755
flat angles P-C4'-P energy: -6.624
tors. eta vs tors. theta energy: -2.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -63.218574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.218574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.218574 (E_RNA)
where:
Base-Base interactions energy: -18.939
where: short stacking energy: -18.939
Base-Backbone interact. energy: -0.009
local terms energy: -44.269613
where:
bonds (distance) C4'-P energy: -10.804
bonds (distance) P-C4' energy: -12.838
flat angles C4'-P-C4' energy: -12.588
flat angles P-C4'-P energy: -5.017
tors. eta vs tors. theta energy: -3.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -63.441073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.441073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.441073 (E_RNA)
where:
Base-Base interactions energy: -20.394
where: short stacking energy: -18.673
Base-Backbone interact. energy: -0.092
local terms energy: -42.955030
where:
bonds (distance) C4'-P energy: -14.253
bonds (distance) P-C4' energy: -11.169
flat angles C4'-P-C4' energy: -10.102
flat angles P-C4'-P energy: -5.675
tors. eta vs tors. theta energy: -1.756
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: 9, replica: 4
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -62.414860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.414860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.414860 (E_RNA)
where:
Base-Base interactions energy: -22.764
where: short stacking energy: -13.402
Base-Backbone interact. energy: -0.078
local terms energy: -39.573099
where:
bonds (distance) C4'-P energy: -9.350
bonds (distance) P-C4' energy: -11.899
flat angles C4'-P-C4' energy: -7.661
flat angles P-C4'-P energy: -7.189
tors. eta vs tors. theta energy: -3.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -59.638349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.638349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.638349 (E_RNA)
where:
Base-Base interactions energy: -19.608
where: short stacking energy: -12.312
Base-Backbone interact. energy: -0.131
local terms energy: -39.899487
where:
bonds (distance) C4'-P energy: -10.825
bonds (distance) P-C4' energy: -10.740
flat angles C4'-P-C4' energy: -14.271
flat angles P-C4'-P energy: -3.223
tors. eta vs tors. theta energy: -0.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -180.497337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.497337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.497337 (E_RNA)
where:
Base-Base interactions energy: -121.014
where: short stacking energy: -39.811
Base-Backbone interact. energy: -0.079
local terms energy: -59.403950
where:
bonds (distance) C4'-P energy: -10.696
bonds (distance) P-C4' energy: -11.868
flat angles C4'-P-C4' energy: -14.091
flat angles P-C4'-P energy: -5.713
tors. eta vs tors. theta energy: -17.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -178.163730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.163730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.163730 (E_RNA)
where:
Base-Base interactions energy: -120.178
where: short stacking energy: -44.571
Base-Backbone interact. energy: -0.001
local terms energy: -57.983919
where:
bonds (distance) C4'-P energy: -11.864
bonds (distance) P-C4' energy: -13.249
flat angles C4'-P-C4' energy: -11.986
flat angles P-C4'-P energy: -6.579
tors. eta vs tors. theta energy: -14.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -174.349027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.349027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.349027 (E_RNA)
where:
Base-Base interactions energy: -119.680
where: short stacking energy: -39.053
Base-Backbone interact. energy: -0.617
local terms energy: -54.052783
where:
bonds (distance) C4'-P energy: -12.199
bonds (distance) P-C4' energy: -9.633
flat angles C4'-P-C4' energy: -12.532
flat angles P-C4'-P energy: -9.211
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: 4, replica: 7
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -173.655060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.655060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.655060 (E_RNA)
where:
Base-Base interactions energy: -118.721
where: short stacking energy: -43.109
Base-Backbone interact. energy: -0.032
local terms energy: -54.902149
where:
bonds (distance) C4'-P energy: -7.674
bonds (distance) P-C4' energy: -10.597
flat angles C4'-P-C4' energy: -11.728
flat angles P-C4'-P energy: -7.993
tors. eta vs tors. theta energy: -16.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -165.336349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.336349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.336349 (E_RNA)
where:
Base-Base interactions energy: -110.373
where: short stacking energy: -45.618
Base-Backbone interact. energy: -0.128
local terms energy: -54.835593
where:
bonds (distance) C4'-P energy: -9.847
bonds (distance) P-C4' energy: -13.290
flat angles C4'-P-C4' energy: -13.099
flat angles P-C4'-P energy: -3.796
tors. eta vs tors. theta energy: -14.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -79.510816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.510816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.510816 (E_RNA)
where:
Base-Base interactions energy: -30.516
where: short stacking energy: -21.096
Base-Backbone interact. energy: 0.918
local terms energy: -49.912999
where:
bonds (distance) C4'-P energy: -11.471
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -9.062
flat angles P-C4'-P energy: -11.699
tors. eta vs tors. theta energy: -3.267
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: 2
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -76.152506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.152506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.152506 (E_RNA)
where:
Base-Base interactions energy: -37.530
where: short stacking energy: -16.501
Base-Backbone interact. energy: -0.162
local terms energy: -38.459927
where:
bonds (distance) C4'-P energy: -11.504
bonds (distance) P-C4' energy: -8.588
flat angles C4'-P-C4' energy: -12.117
flat angles P-C4'-P energy: -6.902
tors. eta vs tors. theta energy: 0.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -60.127794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.127794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.127794 (E_RNA)
where:
Base-Base interactions energy: -24.871
where: short stacking energy: -13.483
Base-Backbone interact. energy: -1.210
local terms energy: -34.047041
where:
bonds (distance) C4'-P energy: -6.325
bonds (distance) P-C4' energy: -12.807
flat angles C4'-P-C4' energy: -8.617
flat angles P-C4'-P energy: -9.360
tors. eta vs tors. theta energy: 3.062
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: 10
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -59.628805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.628805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.628805 (E_RNA)
where:
Base-Base interactions energy: -17.342
where: short stacking energy: -15.508
Base-Backbone interact. energy: -0.038
local terms energy: -42.248152
where:
bonds (distance) C4'-P energy: -10.675
bonds (distance) P-C4' energy: -12.233
flat angles C4'-P-C4' energy: -8.236
flat angles P-C4'-P energy: -3.132
tors. eta vs tors. theta energy: -7.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -61.910349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.910349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.910349 (E_RNA)
where:
Base-Base interactions energy: -21.731
where: short stacking energy: -14.400
Base-Backbone interact. energy: 0.301
local terms energy: -40.479875
where:
bonds (distance) C4'-P energy: -10.091
bonds (distance) P-C4' energy: -12.914
flat angles C4'-P-C4' energy: -9.359
flat angles P-C4'-P energy: -8.711
tors. eta vs tors. theta energy: 0.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -175.122581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.122581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.122581 (E_RNA)
where:
Base-Base interactions energy: -113.776
where: short stacking energy: -40.969
Base-Backbone interact. energy: -0.070
local terms energy: -61.275840
where:
bonds (distance) C4'-P energy: -11.020
bonds (distance) P-C4' energy: -12.560
flat angles C4'-P-C4' energy: -10.949
flat angles P-C4'-P energy: -10.884
tors. eta vs tors. theta energy: -15.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -174.605271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.605271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.605271 (E_RNA)
where:
Base-Base interactions energy: -113.918
where: short stacking energy: -44.094
Base-Backbone interact. energy: -0.122
local terms energy: -60.564714
where:
bonds (distance) C4'-P energy: -11.964
bonds (distance) P-C4' energy: -10.019
flat angles C4'-P-C4' energy: -14.203
flat angles P-C4'-P energy: -6.230
tors. eta vs tors. theta energy: -18.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -178.481709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.481709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.481709 (E_RNA)
where:
Base-Base interactions energy: -113.262
where: short stacking energy: -39.129
Base-Backbone interact. energy: -0.702
local terms energy: -64.517978
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -14.484
flat angles P-C4'-P energy: -5.597
tors. eta vs tors. theta energy: -15.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -171.425129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.425129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.425129 (E_RNA)
where:
Base-Base interactions energy: -109.347
where: short stacking energy: -42.478
Base-Backbone interact. energy: -0.028
local terms energy: -62.050211
where:
bonds (distance) C4'-P energy: -10.902
bonds (distance) P-C4' energy: -13.292
flat angles C4'-P-C4' energy: -13.813
flat angles P-C4'-P energy: -9.813
tors. eta vs tors. theta energy: -14.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -172.444882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.444882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.444882 (E_RNA)
where:
Base-Base interactions energy: -105.766
where: short stacking energy: -46.222
Base-Backbone interact. energy: -0.031
local terms energy: -66.647972
where:
bonds (distance) C4'-P energy: -14.253
bonds (distance) P-C4' energy: -13.106
flat angles C4'-P-C4' energy: -13.298
flat angles P-C4'-P energy: -7.396
tors. eta vs tors. theta energy: -18.595
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: 6, replica: 5
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -72.158105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.158105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.158105 (E_RNA)
where:
Base-Base interactions energy: -30.196
where: short stacking energy: -15.769
Base-Backbone interact. energy: -0.112
local terms energy: -41.849393
where:
bonds (distance) C4'-P energy: -11.827
bonds (distance) P-C4' energy: -13.552
flat angles C4'-P-C4' energy: -10.238
flat angles P-C4'-P energy: -6.890
tors. eta vs tors. theta energy: 0.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -94.424309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.424309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.424309 (E_RNA)
where:
Base-Base interactions energy: -43.292
where: short stacking energy: -24.543
Base-Backbone interact. energy: -0.263
local terms energy: -50.868808
where:
bonds (distance) C4'-P energy: -13.764
bonds (distance) P-C4' energy: -12.316
flat angles C4'-P-C4' energy: -12.772
flat angles P-C4'-P energy: -9.242
tors. eta vs tors. theta energy: -2.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -59.608558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.608558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.608558 (E_RNA)
where:
Base-Base interactions energy: -21.628
where: short stacking energy: -0.639
Base-Backbone interact. energy: -0.142
local terms energy: -37.838492
where:
bonds (distance) C4'-P energy: -13.666
bonds (distance) P-C4' energy: -12.603
flat angles C4'-P-C4' energy: -9.060
flat angles P-C4'-P energy: -4.395
tors. eta vs tors. theta energy: 1.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -64.107220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.107220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.107220 (E_RNA)
where:
Base-Base interactions energy: -20.603
where: short stacking energy: -15.824
Base-Backbone interact. energy: -0.143
local terms energy: -43.361909
where:
bonds (distance) C4'-P energy: -10.374
bonds (distance) P-C4' energy: -12.793
flat angles C4'-P-C4' energy: -10.810
flat angles P-C4'-P energy: -7.599
tors. eta vs tors. theta energy: -1.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -62.820564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.820564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.820564 (E_RNA)
where:
Base-Base interactions energy: -18.484
where: short stacking energy: -13.067
Base-Backbone interact. energy: -0.207
local terms energy: -44.129716
where:
bonds (distance) C4'-P energy: -9.364
bonds (distance) P-C4' energy: -13.082
flat angles C4'-P-C4' energy: -7.830
flat angles P-C4'-P energy: -6.749
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: 1, replica: 1
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -179.772249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.772249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.772249 (E_RNA)
where:
Base-Base interactions energy: -115.876
where: short stacking energy: -48.512
Base-Backbone interact. energy: 0.017
local terms energy: -63.912549
where:
bonds (distance) C4'-P energy: -13.346
bonds (distance) P-C4' energy: -12.771
flat angles C4'-P-C4' energy: -12.040
flat angles P-C4'-P energy: -8.923
tors. eta vs tors. theta energy: -16.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -181.385058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.385058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.385058 (E_RNA)
where:
Base-Base interactions energy: -116.247
where: short stacking energy: -42.522
Base-Backbone interact. energy: -1.347
local terms energy: -63.791264
where:
bonds (distance) C4'-P energy: -11.579
bonds (distance) P-C4' energy: -13.352
flat angles C4'-P-C4' energy: -14.308
flat angles P-C4'-P energy: -8.527
tors. eta vs tors. theta energy: -16.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -175.306585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.306585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.306585 (E_RNA)
where:
Base-Base interactions energy: -108.107
where: short stacking energy: -42.930
Base-Backbone interact. energy: -0.121
local terms energy: -67.078963
where:
bonds (distance) C4'-P energy: -14.625
bonds (distance) P-C4' energy: -14.293
flat angles C4'-P-C4' energy: -12.135
flat angles P-C4'-P energy: -9.030
tors. eta vs tors. theta energy: -16.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -167.664715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.664715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.664715 (E_RNA)
where:
Base-Base interactions energy: -110.635
where: short stacking energy: -37.390
Base-Backbone interact. energy: -0.375
local terms energy: -56.654550
where:
bonds (distance) C4'-P energy: -10.428
bonds (distance) P-C4' energy: -13.092
flat angles C4'-P-C4' energy: -12.726
flat angles P-C4'-P energy: -9.986
tors. eta vs tors. theta energy: -10.424
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: 5, replica: 6
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -164.489252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.489252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.489252 (E_RNA)
where:
Base-Base interactions energy: -107.037
where: short stacking energy: -38.506
Base-Backbone interact. energy: -0.007
local terms energy: -57.445253
where:
bonds (distance) C4'-P energy: -12.307
bonds (distance) P-C4' energy: -8.056
flat angles C4'-P-C4' energy: -12.801
flat angles P-C4'-P energy: -8.132
tors. eta vs tors. theta energy: -16.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -94.057679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.057679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.057679 (E_RNA)
where:
Base-Base interactions energy: -48.799
where: short stacking energy: -21.013
Base-Backbone interact. energy: 0.441
local terms energy: -45.698804
where:
bonds (distance) C4'-P energy: -8.907
bonds (distance) P-C4' energy: -14.137
flat angles C4'-P-C4' energy: -12.931
flat angles P-C4'-P energy: -8.707
tors. eta vs tors. theta energy: -1.016
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: 7, replica: 5
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -63.847138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.847138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.847138 (E_RNA)
where:
Base-Base interactions energy: -21.660
where: short stacking energy: -21.483
Base-Backbone interact. energy: 0.882
local terms energy: -43.068785
where:
bonds (distance) C4'-P energy: -11.226
bonds (distance) P-C4' energy: -13.339
flat angles C4'-P-C4' energy: -8.853
flat angles P-C4'-P energy: -7.515
tors. eta vs tors. theta energy: -2.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -68.701774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.701774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.701774 (E_RNA)
where:
Base-Base interactions energy: -29.530
where: short stacking energy: -7.570
Base-Backbone interact. energy: 1.748
local terms energy: -40.920197
where:
bonds (distance) C4'-P energy: -12.112
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -7.583
flat angles P-C4'-P energy: -7.253
tors. eta vs tors. theta energy: 1.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -83.815290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.815290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.815290 (E_RNA)
where:
Base-Base interactions energy: -44.924
where: short stacking energy: -15.427
Base-Backbone interact. energy: -0.190
local terms energy: -38.701132
where:
bonds (distance) C4'-P energy: -9.281
bonds (distance) P-C4' energy: -10.380
flat angles C4'-P-C4' energy: -11.695
flat angles P-C4'-P energy: -1.887
tors. eta vs tors. theta energy: -5.457
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: 10
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -54.057238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.057238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.057238 (E_RNA)
where:
Base-Base interactions energy: -17.742
where: short stacking energy: -15.551
Base-Backbone interact. energy: -0.132
local terms energy: -36.183086
where:
bonds (distance) C4'-P energy: -7.938
bonds (distance) P-C4' energy: -12.582
flat angles C4'-P-C4' energy: -11.239
flat angles P-C4'-P energy: -6.236
tors. eta vs tors. theta energy: 1.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -182.810730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.810730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.810730 (E_RNA)
where:
Base-Base interactions energy: -124.534
where: short stacking energy: -42.867
Base-Backbone interact. energy: -0.510
local terms energy: -57.766412
where:
bonds (distance) C4'-P energy: -10.695
bonds (distance) P-C4' energy: -11.899
flat angles C4'-P-C4' energy: -12.317
flat angles P-C4'-P energy: -6.791
tors. eta vs tors. theta energy: -16.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -177.377913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.377913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.377913 (E_RNA)
where:
Base-Base interactions energy: -114.893
where: short stacking energy: -44.108
Base-Backbone interact. energy: -0.001
local terms energy: -62.484545
where:
bonds (distance) C4'-P energy: -12.212
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -12.865
flat angles P-C4'-P energy: -5.770
tors. eta vs tors. theta energy: -17.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -177.856517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.856517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.856517 (E_RNA)
where:
Base-Base interactions energy: -115.414
where: short stacking energy: -52.280
Base-Backbone interact. energy: -0.036
local terms energy: -62.406107
where:
bonds (distance) C4'-P energy: -13.238
bonds (distance) P-C4' energy: -11.671
flat angles C4'-P-C4' energy: -12.103
flat angles P-C4'-P energy: -7.585
tors. eta vs tors. theta energy: -17.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -168.745077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.745077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.745077 (E_RNA)
where:
Base-Base interactions energy: -107.557
where: short stacking energy: -44.499
Base-Backbone interact. energy: 0.075
local terms energy: -61.262272
where:
bonds (distance) C4'-P energy: -12.431
bonds (distance) P-C4' energy: -13.898
flat angles C4'-P-C4' energy: -11.952
flat angles P-C4'-P energy: -9.699
tors. eta vs tors. theta energy: -13.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -160.387367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.387367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.387367 (E_RNA)
where:
Base-Base interactions energy: -107.454
where: short stacking energy: -38.491
Base-Backbone interact. energy: -0.072
local terms energy: -52.861398
where:
bonds (distance) C4'-P energy: -10.522
bonds (distance) P-C4' energy: -12.405
flat angles C4'-P-C4' energy: -11.442
flat angles P-C4'-P energy: -4.061
tors. eta vs tors. theta energy: -14.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -92.603694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.603694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.603694 (E_RNA)
where:
Base-Base interactions energy: -51.627
where: short stacking energy: -27.972
Base-Backbone interact. energy: -0.032
local terms energy: -40.944540
where:
bonds (distance) C4'-P energy: -8.357
bonds (distance) P-C4' energy: -13.251
flat angles C4'-P-C4' energy: -8.604
flat angles P-C4'-P energy: -7.344
tors. eta vs tors. theta energy: -3.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -102.165476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.165476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.165476 (E_RNA)
where:
Base-Base interactions energy: -62.485
where: short stacking energy: -17.770
Base-Backbone interact. energy: -0.106
local terms energy: -39.574954
where:
bonds (distance) C4'-P energy: -10.039
bonds (distance) P-C4' energy: -11.088
flat angles C4'-P-C4' energy: -12.176
flat angles P-C4'-P energy: -9.121
tors. eta vs tors. theta energy: 2.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -78.843359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.843359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.843359 (E_RNA)
where:
Base-Base interactions energy: -44.636
where: short stacking energy: -23.114
Base-Backbone interact. energy: -0.601
local terms energy: -33.605590
where:
bonds (distance) C4'-P energy: -8.855
bonds (distance) P-C4' energy: -9.169
flat angles C4'-P-C4' energy: -5.333
flat angles P-C4'-P energy: -7.075
tors. eta vs tors. theta energy: -3.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -60.770376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.770376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.770376 (E_RNA)
where:
Base-Base interactions energy: -21.524
where: short stacking energy: -17.765
Base-Backbone interact. energy: -0.109
local terms energy: -39.136848
where:
bonds (distance) C4'-P energy: -11.880
bonds (distance) P-C4' energy: -9.568
flat angles C4'-P-C4' energy: -9.442
flat angles P-C4'-P energy: -5.280
tors. eta vs tors. theta energy: -2.967
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: 10, replica: 2
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -59.307110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.307110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.307110 (E_RNA)
where:
Base-Base interactions energy: -18.959
where: short stacking energy: -10.342
Base-Backbone interact. energy: -0.233
local terms energy: -40.115178
where:
bonds (distance) C4'-P energy: -10.738
bonds (distance) P-C4' energy: -11.027
flat angles C4'-P-C4' energy: -12.511
flat angles P-C4'-P energy: -7.538
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: 117
Temperature: 0.900000
Total energy: -186.443834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.443834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.443834 (E_RNA)
where:
Base-Base interactions energy: -123.160
where: short stacking energy: -50.889
Base-Backbone interact. energy: -0.019
local terms energy: -63.265079
where:
bonds (distance) C4'-P energy: -11.400
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -14.024
flat angles P-C4'-P energy: -6.698
tors. eta vs tors. theta energy: -15.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -174.929586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.929586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.929586 (E_RNA)
where:
Base-Base interactions energy: -115.853
where: short stacking energy: -43.149
Base-Backbone interact. energy: 0.259
local terms energy: -59.334890
where:
bonds (distance) C4'-P energy: -13.256
bonds (distance) P-C4' energy: -6.896
flat angles C4'-P-C4' energy: -12.973
flat angles P-C4'-P energy: -8.509
tors. eta vs tors. theta energy: -17.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -172.500098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.500098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.500098 (E_RNA)
where:
Base-Base interactions energy: -117.622
where: short stacking energy: -43.636
Base-Backbone interact. energy: 0.054
local terms energy: -54.932682
where:
bonds (distance) C4'-P energy: -8.854
bonds (distance) P-C4' energy: -13.588
flat angles C4'-P-C4' energy: -12.668
flat angles P-C4'-P energy: -6.572
tors. eta vs tors. theta energy: -13.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -172.366675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.366675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.366675 (E_RNA)
where:
Base-Base interactions energy: -108.696
where: short stacking energy: -46.967
Base-Backbone interact. energy: -0.174
local terms energy: -63.496040
where:
bonds (distance) C4'-P energy: -12.022
bonds (distance) P-C4' energy: -12.494
flat angles C4'-P-C4' energy: -12.583
flat angles P-C4'-P energy: -8.487
tors. eta vs tors. theta energy: -17.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -164.946942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.946942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.946942 (E_RNA)
where:
Base-Base interactions energy: -110.448
where: short stacking energy: -39.204
Base-Backbone interact. energy: -0.092
local terms energy: -54.407037
where:
bonds (distance) C4'-P energy: -13.752
bonds (distance) P-C4' energy: -8.433
flat angles C4'-P-C4' energy: -10.951
flat angles P-C4'-P energy: -8.619
tors. eta vs tors. theta energy: -12.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -81.180068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.180068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.180068 (E_RNA)
where:
Base-Base interactions energy: -35.943
where: short stacking energy: -18.077
Base-Backbone interact. energy: -0.206
local terms energy: -45.030898
where:
bonds (distance) C4'-P energy: -9.494
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -7.177
flat angles P-C4'-P energy: -9.585
tors. eta vs tors. theta energy: -4.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -73.929558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.929558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.929558 (E_RNA)
where:
Base-Base interactions energy: -40.594
where: short stacking energy: -14.724
Base-Backbone interact. energy: -0.662
local terms energy: -32.673659
where:
bonds (distance) C4'-P energy: -9.784
bonds (distance) P-C4' energy: -11.429
flat angles C4'-P-C4' energy: -10.279
flat angles P-C4'-P energy: -5.167
tors. eta vs tors. theta energy: 3.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -84.544799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.544799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.544799 (E_RNA)
where:
Base-Base interactions energy: -46.056
where: short stacking energy: -16.717
Base-Backbone interact. energy: 0.434
local terms energy: -38.922444
where:
bonds (distance) C4'-P energy: -6.993
bonds (distance) P-C4' energy: -10.173
flat angles C4'-P-C4' energy: -8.124
flat angles P-C4'-P energy: -6.856
tors. eta vs tors. theta energy: -6.776
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: 10
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -59.461875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.461875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.461875 (E_RNA)
where:
Base-Base interactions energy: -20.789
where: short stacking energy: -13.894
Base-Backbone interact. energy: -1.282
local terms energy: -37.391304
where:
bonds (distance) C4'-P energy: -3.430
bonds (distance) P-C4' energy: -9.530
flat angles C4'-P-C4' energy: -12.182
flat angles P-C4'-P energy: -9.879
tors. eta vs tors. theta energy: -2.371
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: 117
Temperature: 1.350000
Total energy: -58.441542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.441542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.441542 (E_RNA)
where:
Base-Base interactions energy: -27.220
where: short stacking energy: -13.263
Base-Backbone interact. energy: -0.248
local terms energy: -30.973879
where:
bonds (distance) C4'-P energy: -2.743
bonds (distance) P-C4' energy: -12.849
flat angles C4'-P-C4' energy: -9.901
flat angles P-C4'-P energy: -7.273
tors. eta vs tors. theta energy: 1.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -182.009548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.009548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.009548 (E_RNA)
where:
Base-Base interactions energy: -121.232
where: short stacking energy: -51.372
Base-Backbone interact. energy: 2.515
local terms energy: -63.293021
where:
bonds (distance) C4'-P energy: -12.308
bonds (distance) P-C4' energy: -13.117
flat angles C4'-P-C4' energy: -13.202
flat angles P-C4'-P energy: -9.090
tors. eta vs tors. theta energy: -15.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -179.721882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.721882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.721882 (E_RNA)
where:
Base-Base interactions energy: -118.124
where: short stacking energy: -46.045
Base-Backbone interact. energy: 0.400
local terms energy: -61.998193
where:
bonds (distance) C4'-P energy: -13.524
bonds (distance) P-C4' energy: -10.282
flat angles C4'-P-C4' energy: -13.458
flat angles P-C4'-P energy: -7.892
tors. eta vs tors. theta energy: -16.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -170.678494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.678494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.678494 (E_RNA)
where:
Base-Base interactions energy: -111.109
where: short stacking energy: -38.238
Base-Backbone interact. energy: -0.087
local terms energy: -59.483063
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -12.360
flat angles C4'-P-C4' energy: -13.397
flat angles P-C4'-P energy: -8.188
tors. eta vs tors. theta energy: -11.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -176.872269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.872269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.872269 (E_RNA)
where:
Base-Base interactions energy: -113.790
where: short stacking energy: -43.805
Base-Backbone interact. energy: -0.019
local terms energy: -63.063450
where:
bonds (distance) C4'-P energy: -11.678
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -14.058
flat angles P-C4'-P energy: -8.366
tors. eta vs tors. theta energy: -15.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -148.717099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.717099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.717099 (E_RNA)
where:
Base-Base interactions energy: -105.196
where: short stacking energy: -29.818
Base-Backbone interact. energy: -0.080
local terms energy: -43.440999
where:
bonds (distance) C4'-P energy: -5.207
bonds (distance) P-C4' energy: -10.542
flat angles C4'-P-C4' energy: -7.208
flat angles P-C4'-P energy: -6.782
tors. eta vs tors. theta energy: -13.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -91.236717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.236717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.236717 (E_RNA)
where:
Base-Base interactions energy: -49.341
where: short stacking energy: -17.325
Base-Backbone interact. energy: -0.016
local terms energy: -41.880162
where:
bonds (distance) C4'-P energy: -11.045
bonds (distance) P-C4' energy: -11.195
flat angles C4'-P-C4' energy: -8.260
flat angles P-C4'-P energy: -7.966
tors. eta vs tors. theta energy: -3.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -115.165099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.165099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.165099 (E_RNA)
where:
Base-Base interactions energy: -68.315
where: short stacking energy: -22.112
Base-Backbone interact. energy: -0.259
local terms energy: -46.591076
where:
bonds (distance) C4'-P energy: -7.219
bonds (distance) P-C4' energy: -8.019
flat angles C4'-P-C4' energy: -13.422
flat angles P-C4'-P energy: -6.212
tors. eta vs tors. theta energy: -11.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -75.864142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.864142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.864142 (E_RNA)
where:
Base-Base interactions energy: -38.845
where: short stacking energy: -17.329
Base-Backbone interact. energy: -0.103
local terms energy: -36.916110
where:
bonds (distance) C4'-P energy: -12.935
bonds (distance) P-C4' energy: -8.045
flat angles C4'-P-C4' energy: -8.173
flat angles P-C4'-P energy: -4.359
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: 9, replica: 2
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -100.819757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.819757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.819757 (E_RNA)
where:
Base-Base interactions energy: -56.438
where: short stacking energy: -20.890
Base-Backbone interact. energy: -0.190
local terms energy: -44.192503
where:
bonds (distance) C4'-P energy: -9.147
bonds (distance) P-C4' energy: -13.398
flat angles C4'-P-C4' energy: -12.082
flat angles P-C4'-P energy: -4.773
tors. eta vs tors. theta energy: -4.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -57.606838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.606838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.606838 (E_RNA)
where:
Base-Base interactions energy: -21.253
where: short stacking energy: -13.910
Base-Backbone interact. energy: -0.350
local terms energy: -36.003312
where:
bonds (distance) C4'-P energy: -10.573
bonds (distance) P-C4' energy: -9.272
flat angles C4'-P-C4' energy: -11.432
flat angles P-C4'-P energy: -5.093
tors. eta vs tors. theta energy: 0.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -184.798099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.798099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.798099 (E_RNA)
where:
Base-Base interactions energy: -117.227
where: short stacking energy: -47.409
Base-Backbone interact. energy: -0.010
local terms energy: -67.561012
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -12.992
flat angles C4'-P-C4' energy: -13.346
flat angles P-C4'-P energy: -10.351
tors. eta vs tors. theta energy: -17.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -176.687071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.687071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.687071 (E_RNA)
where:
Base-Base interactions energy: -115.231
where: short stacking energy: -38.344
Base-Backbone interact. energy: -0.308
local terms energy: -61.147883
where:
bonds (distance) C4'-P energy: -12.696
bonds (distance) P-C4' energy: -13.022
flat angles C4'-P-C4' energy: -12.450
flat angles P-C4'-P energy: -8.763
tors. eta vs tors. theta energy: -14.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -170.214581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.214581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.214581 (E_RNA)
where:
Base-Base interactions energy: -109.772
where: short stacking energy: -41.442
Base-Backbone interact. energy: -0.010
local terms energy: -60.432568
where:
bonds (distance) C4'-P energy: -10.920
bonds (distance) P-C4' energy: -12.105
flat angles C4'-P-C4' energy: -14.335
flat angles P-C4'-P energy: -8.990
tors. eta vs tors. theta energy: -14.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -167.614640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.614640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.614640 (E_RNA)
where:
Base-Base interactions energy: -115.630
where: short stacking energy: -38.240
Base-Backbone interact. energy: -0.053
local terms energy: -51.931635
where:
bonds (distance) C4'-P energy: -12.662
bonds (distance) P-C4' energy: -14.843
flat angles C4'-P-C4' energy: -5.957
flat angles P-C4'-P energy: -4.758
tors. eta vs tors. theta energy: -13.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -164.271460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.271460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.271460 (E_RNA)
where:
Base-Base interactions energy: -110.845
where: short stacking energy: -39.912
Base-Backbone interact. energy: -0.087
local terms energy: -53.339568
where:
bonds (distance) C4'-P energy: -10.565
bonds (distance) P-C4' energy: -12.352
flat angles C4'-P-C4' energy: -11.492
flat angles P-C4'-P energy: -3.955
tors. eta vs tors. theta energy: -14.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -96.429479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.429479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.429479 (E_RNA)
where:
Base-Base interactions energy: -49.801
where: short stacking energy: -18.247
Base-Backbone interact. energy: -0.198
local terms energy: -46.430630
where:
bonds (distance) C4'-P energy: -11.764
bonds (distance) P-C4' energy: -13.772
flat angles C4'-P-C4' energy: -8.151
flat angles P-C4'-P energy: -9.221
tors. eta vs tors. theta energy: -3.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -64.066707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.066707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.066707 (E_RNA)
where:
Base-Base interactions energy: -22.096
where: short stacking energy: -22.696
Base-Backbone interact. energy: -0.279
local terms energy: -41.692170
where:
bonds (distance) C4'-P energy: -8.754
bonds (distance) P-C4' energy: -13.935
flat angles C4'-P-C4' energy: -7.969
flat angles P-C4'-P energy: -9.683
tors. eta vs tors. theta energy: -1.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -62.215325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.215325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.215325 (E_RNA)
where:
Base-Base interactions energy: -27.646
where: short stacking energy: -8.439
Base-Backbone interact. energy: -0.467
local terms energy: -34.102549
where:
bonds (distance) C4'-P energy: -7.419
bonds (distance) P-C4' energy: -10.316
flat angles C4'-P-C4' energy: -13.836
flat angles P-C4'-P energy: -4.546
tors. eta vs tors. theta energy: 2.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -94.237870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.237870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.237870 (E_RNA)
where:
Base-Base interactions energy: -56.460
where: short stacking energy: -13.656
Base-Backbone interact. energy: -0.262
local terms energy: -37.516119
where:
bonds (distance) C4'-P energy: -7.210
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -8.474
flat angles P-C4'-P energy: -7.809
tors. eta vs tors. theta energy: -0.888
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: 10
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -66.798100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.798100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.798100 (E_RNA)
where:
Base-Base interactions energy: -23.003
where: short stacking energy: -19.783
Base-Backbone interact. energy: -0.114
local terms energy: -43.681255
where:
bonds (distance) C4'-P energy: -9.218
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -11.254
flat angles P-C4'-P energy: -6.513
tors. eta vs tors. theta energy: -2.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -182.448290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.448290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.448290 (E_RNA)
where:
Base-Base interactions energy: -120.012
where: short stacking energy: -44.139
Base-Backbone interact. energy: -0.045
local terms energy: -62.391085
where:
bonds (distance) C4'-P energy: -12.331
bonds (distance) P-C4' energy: -12.985
flat angles C4'-P-C4' energy: -12.641
flat angles P-C4'-P energy: -8.547
tors. eta vs tors. theta energy: -15.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -172.179390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.179390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.179390 (E_RNA)
where:
Base-Base interactions energy: -113.130
where: short stacking energy: -47.460
Base-Backbone interact. energy: -0.008
local terms energy: -59.041669
where:
bonds (distance) C4'-P energy: -9.078
bonds (distance) P-C4' energy: -12.899
flat angles C4'-P-C4' energy: -11.659
flat angles P-C4'-P energy: -9.146
tors. eta vs tors. theta energy: -16.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -175.377097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.377097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.377097 (E_RNA)
where:
Base-Base interactions energy: -110.749
where: short stacking energy: -46.834
Base-Backbone interact. energy: 0.492
local terms energy: -65.119357
where:
bonds (distance) C4'-P energy: -12.228
bonds (distance) P-C4' energy: -13.081
flat angles C4'-P-C4' energy: -14.153
flat angles P-C4'-P energy: -10.108
tors. eta vs tors. theta energy: -15.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -170.232483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.232483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.232483 (E_RNA)
where:
Base-Base interactions energy: -103.238
where: short stacking energy: -42.118
Base-Backbone interact. energy: -0.001
local terms energy: -66.993474
where:
bonds (distance) C4'-P energy: -13.404
bonds (distance) P-C4' energy: -13.511
flat angles C4'-P-C4' energy: -14.931
flat angles P-C4'-P energy: -9.091
tors. eta vs tors. theta energy: -16.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -168.764098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.764098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.764098 (E_RNA)
where:
Base-Base interactions energy: -104.027
where: short stacking energy: -41.283
Base-Backbone interact. energy: -0.039
local terms energy: -64.698979
where:
bonds (distance) C4'-P energy: -12.475
bonds (distance) P-C4' energy: -11.845
flat angles C4'-P-C4' energy: -15.153
flat angles P-C4'-P energy: -9.008
tors. eta vs tors. theta energy: -16.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -92.734243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.734243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.734243 (E_RNA)
where:
Base-Base interactions energy: -49.231
where: short stacking energy: -19.531
Base-Backbone interact. energy: -0.247
local terms energy: -43.256700
where:
bonds (distance) C4'-P energy: -8.836
bonds (distance) P-C4' energy: -11.161
flat angles C4'-P-C4' energy: -11.235
flat angles P-C4'-P energy: -9.741
tors. eta vs tors. theta energy: -2.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -73.281023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.281023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.281023 (E_RNA)
where:
Base-Base interactions energy: -40.801
where: short stacking energy: -23.162
Base-Backbone interact. energy: -0.129
local terms energy: -32.351240
where:
bonds (distance) C4'-P energy: -4.859
bonds (distance) P-C4' energy: -11.380
flat angles C4'-P-C4' energy: -11.650
flat angles P-C4'-P energy: -2.687
tors. eta vs tors. theta energy: -1.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -76.636138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.636138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.636138 (E_RNA)
where:
Base-Base interactions energy: -28.664
where: short stacking energy: -9.678
Base-Backbone interact. energy: -0.214
local terms energy: -47.758013
where:
bonds (distance) C4'-P energy: -11.621
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -9.476
flat angles P-C4'-P energy: -6.453
tors. eta vs tors. theta energy: -6.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -57.200175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.200175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.200175 (E_RNA)
where:
Base-Base interactions energy: -14.650
where: short stacking energy: -14.650
Base-Backbone interact. energy: -0.029
local terms energy: -42.520771
where:
bonds (distance) C4'-P energy: -8.759
bonds (distance) P-C4' energy: -14.099
flat angles C4'-P-C4' energy: -10.832
flat angles P-C4'-P energy: -7.684
tors. eta vs tors. theta energy: -1.146
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: 10, replica: 4
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -55.250849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.250849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.250849 (E_RNA)
where:
Base-Base interactions energy: -19.448
where: short stacking energy: -11.591
Base-Backbone interact. energy: -0.012
local terms energy: -35.790672
where:
bonds (distance) C4'-P energy: -11.169
bonds (distance) P-C4' energy: -12.388
flat angles C4'-P-C4' energy: -5.176
flat angles P-C4'-P energy: -8.117
tors. eta vs tors. theta energy: 1.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -178.933227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.933227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.933227 (E_RNA)
where:
Base-Base interactions energy: -117.199
where: short stacking energy: -47.344
Base-Backbone interact. energy: -0.003
local terms energy: -61.731293
where:
bonds (distance) C4'-P energy: -12.530
bonds (distance) P-C4' energy: -13.359
flat angles C4'-P-C4' energy: -12.342
flat angles P-C4'-P energy: -7.624
tors. eta vs tors. theta energy: -15.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -179.510251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.510251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.510251 (E_RNA)
where:
Base-Base interactions energy: -116.192
where: short stacking energy: -51.338
Base-Backbone interact. energy: -0.001
local terms energy: -63.316849
where:
bonds (distance) C4'-P energy: -13.834
bonds (distance) P-C4' energy: -13.899
flat angles C4'-P-C4' energy: -11.647
flat angles P-C4'-P energy: -7.881
tors. eta vs tors. theta energy: -16.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -171.407874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.407874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.407874 (E_RNA)
where:
Base-Base interactions energy: -116.301
where: short stacking energy: -45.765
Base-Backbone interact. energy: -0.101
local terms energy: -55.005477
where:
bonds (distance) C4'-P energy: -8.924
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -11.279
flat angles P-C4'-P energy: -7.854
tors. eta vs tors. theta energy: -12.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -170.528748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.528748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.528748 (E_RNA)
where:
Base-Base interactions energy: -113.427
where: short stacking energy: -40.678
Base-Backbone interact. energy: -0.208
local terms energy: -56.893807
where:
bonds (distance) C4'-P energy: -12.733
bonds (distance) P-C4' energy: -12.714
flat angles C4'-P-C4' energy: -13.602
flat angles P-C4'-P energy: -4.429
tors. eta vs tors. theta energy: -13.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -178.055240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.055240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.055240 (E_RNA)
where:
Base-Base interactions energy: -117.448
where: short stacking energy: -45.132
Base-Backbone interact. energy: -0.009
local terms energy: -60.598515
where:
bonds (distance) C4'-P energy: -8.266
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -13.475
flat angles P-C4'-P energy: -8.486
tors. eta vs tors. theta energy: -16.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -70.471475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.471475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.471475 (E_RNA)
where:
Base-Base interactions energy: -37.751
where: short stacking energy: -22.513
Base-Backbone interact. energy: -0.557
local terms energy: -32.164230
where:
bonds (distance) C4'-P energy: -2.592
bonds (distance) P-C4' energy: -12.183
flat angles C4'-P-C4' energy: -10.664
flat angles P-C4'-P energy: -7.437
tors. eta vs tors. theta energy: 0.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -81.947092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.947092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.947092 (E_RNA)
where:
Base-Base interactions energy: -38.167
where: short stacking energy: -18.966
Base-Backbone interact. energy: -0.289
local terms energy: -43.491299
where:
bonds (distance) C4'-P energy: -10.816
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -10.130
flat angles P-C4'-P energy: -9.925
tors. eta vs tors. theta energy: 1.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -82.983664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.983664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.983664 (E_RNA)
where:
Base-Base interactions energy: -36.827
where: short stacking energy: -13.735
Base-Backbone interact. energy: -0.308
local terms energy: -45.848325
where:
bonds (distance) C4'-P energy: -12.716
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -8.427
flat angles P-C4'-P energy: -8.226
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: 9, replica: 10
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -64.074667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.074667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.074667 (E_RNA)
where:
Base-Base interactions energy: -26.432
where: short stacking energy: -14.337
Base-Backbone interact. energy: -0.019
local terms energy: -37.623618
where:
bonds (distance) C4'-P energy: -5.418
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -12.534
flat angles P-C4'-P energy: -2.786
tors. eta vs tors. theta energy: -3.339
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: 4
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -63.693062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.693062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.693062 (E_RNA)
where:
Base-Base interactions energy: -30.575
where: short stacking energy: -17.379
Base-Backbone interact. energy: -0.072
local terms energy: -33.045509
where:
bonds (distance) C4'-P energy: -7.769
bonds (distance) P-C4' energy: -10.042
flat angles C4'-P-C4' energy: -7.870
flat angles P-C4'-P energy: -6.854
tors. eta vs tors. theta energy: -0.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -180.231470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.231470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.231470 (E_RNA)
where:
Base-Base interactions energy: -112.542
where: short stacking energy: -47.392
Base-Backbone interact. energy: -0.021
local terms energy: -67.668112
where:
bonds (distance) C4'-P energy: -9.633
bonds (distance) P-C4' energy: -13.435
flat angles C4'-P-C4' energy: -15.598
flat angles P-C4'-P energy: -10.601
tors. eta vs tors. theta energy: -18.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -178.657339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.657339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.657339 (E_RNA)
where:
Base-Base interactions energy: -121.020
where: short stacking energy: -45.005
Base-Backbone interact. energy: -0.380
local terms energy: -57.257738
where:
bonds (distance) C4'-P energy: -11.744
bonds (distance) P-C4' energy: -11.813
flat angles C4'-P-C4' energy: -13.959
flat angles P-C4'-P energy: -4.900
tors. eta vs tors. theta energy: -14.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -182.724769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.724769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.724769 (E_RNA)
where:
Base-Base interactions energy: -119.054
where: short stacking energy: -48.903
Base-Backbone interact. energy: -0.084
local terms energy: -63.586242
where:
bonds (distance) C4'-P energy: -13.044
bonds (distance) P-C4' energy: -13.131
flat angles C4'-P-C4' energy: -13.083
flat angles P-C4'-P energy: -7.519
tors. eta vs tors. theta energy: -16.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -174.742200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.742200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.742200 (E_RNA)
where:
Base-Base interactions energy: -111.453
where: short stacking energy: -45.301
Base-Backbone interact. energy: -0.010
local terms energy: -63.279541
where:
bonds (distance) C4'-P energy: -12.449
bonds (distance) P-C4' energy: -13.035
flat angles C4'-P-C4' energy: -10.218
flat angles P-C4'-P energy: -9.469
tors. eta vs tors. theta energy: -18.108
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: 1
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -158.311754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.311754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.311754 (E_RNA)
where:
Base-Base interactions energy: -95.186
where: short stacking energy: -42.889
Base-Backbone interact. energy: -0.010
local terms energy: -63.115871
where:
bonds (distance) C4'-P energy: -12.145
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -13.472
flat angles P-C4'-P energy: -6.613
tors. eta vs tors. theta energy: -16.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -62.791387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.791387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.791387 (E_RNA)
where:
Base-Base interactions energy: -19.176
where: short stacking energy: -11.726
Base-Backbone interact. energy: -0.487
local terms energy: -43.128777
where:
bonds (distance) C4'-P energy: -12.556
bonds (distance) P-C4' energy: -13.575
flat angles C4'-P-C4' energy: -11.330
flat angles P-C4'-P energy: -8.837
tors. eta vs tors. theta energy: 3.169
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: 7, replica: 8
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -73.522984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.522984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.522984 (E_RNA)
where:
Base-Base interactions energy: -31.627
where: short stacking energy: -14.637
Base-Backbone interact. energy: -0.163
local terms energy: -41.732661
where:
bonds (distance) C4'-P energy: -7.746
bonds (distance) P-C4' energy: -13.328
flat angles C4'-P-C4' energy: -8.456
flat angles P-C4'-P energy: -8.797
tors. eta vs tors. theta energy: -3.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -57.935145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.935145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.935145 (E_RNA)
where:
Base-Base interactions energy: -13.939
where: short stacking energy: -12.819
Base-Backbone interact. energy: -0.080
local terms energy: -43.916544
where:
bonds (distance) C4'-P energy: -10.820
bonds (distance) P-C4' energy: -10.521
flat angles C4'-P-C4' energy: -13.647
flat angles P-C4'-P energy: -8.822
tors. eta vs tors. theta energy: -0.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -81.258219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.258219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.258219 (E_RNA)
where:
Base-Base interactions energy: -40.145
where: short stacking energy: -11.442
Base-Backbone interact. energy: -0.661
local terms energy: -40.451539
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -10.416
flat angles C4'-P-C4' energy: -11.007
flat angles P-C4'-P energy: -6.116
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: 10, replica: 10
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -54.359509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.359509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.359509 (E_RNA)
where:
Base-Base interactions energy: -20.897
where: short stacking energy: -14.506
Base-Backbone interact. energy: 0.488
local terms energy: -33.950511
where:
bonds (distance) C4'-P energy: -10.195
bonds (distance) P-C4' energy: -15.581
flat angles C4'-P-C4' energy: -11.616
flat angles P-C4'-P energy: 2.427
tors. eta vs tors. theta energy: 1.014
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: 7
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -179.685132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.685132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.685132 (E_RNA)
where:
Base-Base interactions energy: -121.710
where: short stacking energy: -46.424
Base-Backbone interact. energy: -0.041
local terms energy: -57.934405
where:
bonds (distance) C4'-P energy: -9.505
bonds (distance) P-C4' energy: -11.512
flat angles C4'-P-C4' energy: -13.676
flat angles P-C4'-P energy: -7.345
tors. eta vs tors. theta energy: -15.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -176.095354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.095354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.095354 (E_RNA)
where:
Base-Base interactions energy: -116.159
where: short stacking energy: -49.032
Base-Backbone interact. energy: 0.036
local terms energy: -59.971568
where:
bonds (distance) C4'-P energy: -8.958
bonds (distance) P-C4' energy: -9.979
flat angles C4'-P-C4' energy: -14.516
flat angles P-C4'-P energy: -10.473
tors. eta vs tors. theta energy: -16.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -172.342541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.342541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.342541 (E_RNA)
where:
Base-Base interactions energy: -111.723
where: short stacking energy: -44.699
Base-Backbone interact. energy: -0.044
local terms energy: -60.575366
where:
bonds (distance) C4'-P energy: -13.682
bonds (distance) P-C4' energy: -13.779
flat angles C4'-P-C4' energy: -9.530
flat angles P-C4'-P energy: -7.854
tors. eta vs tors. theta energy: -15.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -178.178083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.178083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.178083 (E_RNA)
where:
Base-Base interactions energy: -115.167
where: short stacking energy: -47.867
Base-Backbone interact. energy: -0.019
local terms energy: -62.991624
where:
bonds (distance) C4'-P energy: -11.283
bonds (distance) P-C4' energy: -11.296
flat angles C4'-P-C4' energy: -13.566
flat angles P-C4'-P energy: -9.512
tors. eta vs tors. theta energy: -17.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -168.215428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.215428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.215428 (E_RNA)
where:
Base-Base interactions energy: -121.071
where: short stacking energy: -43.186
Base-Backbone interact. energy: -0.117
local terms energy: -47.026980
where:
bonds (distance) C4'-P energy: -10.857
bonds (distance) P-C4' energy: -8.738
flat angles C4'-P-C4' energy: -7.725
flat angles P-C4'-P energy: -6.397
tors. eta vs tors. theta energy: -13.310
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: 8
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -72.769203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.769203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.769203 (E_RNA)
where:
Base-Base interactions energy: -39.013
where: short stacking energy: -21.021
Base-Backbone interact. energy: -0.088
local terms energy: -33.668403
where:
bonds (distance) C4'-P energy: -5.952
bonds (distance) P-C4' energy: -6.519
flat angles C4'-P-C4' energy: -14.237
flat angles P-C4'-P energy: -3.605
tors. eta vs tors. theta energy: -3.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -68.977190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.977190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.977190 (E_RNA)
where:
Base-Base interactions energy: -25.754
where: short stacking energy: -11.435
Base-Backbone interact. energy: -0.653
local terms energy: -42.570523
where:
bonds (distance) C4'-P energy: -10.142
bonds (distance) P-C4' energy: -12.355
flat angles C4'-P-C4' energy: -12.881
flat angles P-C4'-P energy: -6.889
tors. eta vs tors. theta energy: -0.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -58.122469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.122469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.122469 (E_RNA)
where:
Base-Base interactions energy: -16.179
where: short stacking energy: -16.179
Base-Backbone interact. energy: -0.028
local terms energy: -41.915179
where:
bonds (distance) C4'-P energy: -11.917
bonds (distance) P-C4' energy: -12.138
flat angles C4'-P-C4' energy: -11.129
flat angles P-C4'-P energy: -5.596
tors. eta vs tors. theta energy: -1.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -63.233756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.233756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.233756 (E_RNA)
where:
Base-Base interactions energy: -23.988
where: short stacking energy: -18.234
Base-Backbone interact. energy: -0.079
local terms energy: -39.166289
where:
bonds (distance) C4'-P energy: -7.510
bonds (distance) P-C4' energy: -10.877
flat angles C4'-P-C4' energy: -10.361
flat angles P-C4'-P energy: -9.472
tors. eta vs tors. theta energy: -0.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -60.984273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.984273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.984273 (E_RNA)
where:
Base-Base interactions energy: -26.472
where: short stacking energy: -17.227
Base-Backbone interact. energy: -0.956
local terms energy: -33.556689
where:
bonds (distance) C4'-P energy: -12.352
bonds (distance) P-C4' energy: -12.843
flat angles C4'-P-C4' energy: -6.274
flat angles P-C4'-P energy: -5.005
tors. eta vs tors. theta energy: 2.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -178.257746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.257746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.257746 (E_RNA)
where:
Base-Base interactions energy: -120.754
where: short stacking energy: -51.161
Base-Backbone interact. energy: -0.003
local terms energy: -57.501314
where:
bonds (distance) C4'-P energy: -8.176
bonds (distance) P-C4' energy: -10.580
flat angles C4'-P-C4' energy: -11.487
flat angles P-C4'-P energy: -10.625
tors. eta vs tors. theta energy: -16.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -178.458256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.458256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.458256 (E_RNA)
where:
Base-Base interactions energy: -117.564
where: short stacking energy: -50.846
Base-Backbone interact. energy: -0.300
local terms energy: -60.594213
where:
bonds (distance) C4'-P energy: -11.823
bonds (distance) P-C4' energy: -13.447
flat angles C4'-P-C4' energy: -11.047
flat angles P-C4'-P energy: -8.429
tors. eta vs tors. theta energy: -15.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -176.831079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.831079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.831079 (E_RNA)
where:
Base-Base interactions energy: -114.027
where: short stacking energy: -46.425
Base-Backbone interact. energy: -0.402
local terms energy: -62.401712
where:
bonds (distance) C4'-P energy: -13.570
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -11.950
flat angles P-C4'-P energy: -5.855
tors. eta vs tors. theta energy: -16.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -178.532834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.532834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.532834 (E_RNA)
where:
Base-Base interactions energy: -119.741
where: short stacking energy: -38.754
Base-Backbone interact. energy: -0.128
local terms energy: -58.663983
where:
bonds (distance) C4'-P energy: -13.177
bonds (distance) P-C4' energy: -11.285
flat angles C4'-P-C4' energy: -12.838
flat angles P-C4'-P energy: -7.581
tors. eta vs tors. theta energy: -13.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -163.711068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.711068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.711068 (E_RNA)
where:
Base-Base interactions energy: -104.667
where: short stacking energy: -38.167
Base-Backbone interact. energy: -0.102
local terms energy: -58.942732
where:
bonds (distance) C4'-P energy: -14.004
bonds (distance) P-C4' energy: -14.199
flat angles C4'-P-C4' energy: -10.671
flat angles P-C4'-P energy: -6.519
tors. eta vs tors. theta energy: -13.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -89.359654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.359654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.359654 (E_RNA)
where:
Base-Base interactions energy: -37.977
where: short stacking energy: -29.356
Base-Backbone interact. energy: -0.089
local terms energy: -51.292852
where:
bonds (distance) C4'-P energy: -10.166
bonds (distance) P-C4' energy: -13.378
flat angles C4'-P-C4' energy: -13.232
flat angles P-C4'-P energy: -8.586
tors. eta vs tors. theta energy: -5.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -64.086124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.086124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.086124 (E_RNA)
where:
Base-Base interactions energy: -25.657
where: short stacking energy: -15.955
Base-Backbone interact. energy: 0.226
local terms energy: -38.655321
where:
bonds (distance) C4'-P energy: -4.388
bonds (distance) P-C4' energy: -11.451
flat angles C4'-P-C4' energy: -12.524
flat angles P-C4'-P energy: -6.950
tors. eta vs tors. theta energy: -3.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -99.898384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.898384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.898384 (E_RNA)
where:
Base-Base interactions energy: -59.701
where: short stacking energy: -21.271
Base-Backbone interact. energy: -0.248
local terms energy: -39.949865
where:
bonds (distance) C4'-P energy: -6.755
bonds (distance) P-C4' energy: -9.827
flat angles C4'-P-C4' energy: -7.906
flat angles P-C4'-P energy: -7.486
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: 9, replica: 10
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -63.774372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.774372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.774372 (E_RNA)
where:
Base-Base interactions energy: -22.960
where: short stacking energy: -14.115
Base-Backbone interact. energy: -0.436
local terms energy: -40.378191
where:
bonds (distance) C4'-P energy: -10.875
bonds (distance) P-C4' energy: -15.137
flat angles C4'-P-C4' energy: -7.174
flat angles P-C4'-P energy: -3.525
tors. eta vs tors. theta energy: -3.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -59.157575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.157575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.157575 (E_RNA)
where:
Base-Base interactions energy: -17.968
where: short stacking energy: -17.031
Base-Backbone interact. energy: -0.060
local terms energy: -41.129439
where:
bonds (distance) C4'-P energy: -12.879
bonds (distance) P-C4' energy: -9.556
flat angles C4'-P-C4' energy: -10.847
flat angles P-C4'-P energy: -4.677
tors. eta vs tors. theta energy: -3.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -177.241658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.241658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.241658 (E_RNA)
where:
Base-Base interactions energy: -116.220
where: short stacking energy: -46.425
Base-Backbone interact. energy: -0.088
local terms energy: -60.933615
where:
bonds (distance) C4'-P energy: -10.328
bonds (distance) P-C4' energy: -10.383
flat angles C4'-P-C4' energy: -14.682
flat angles P-C4'-P energy: -9.171
tors. eta vs tors. theta energy: -16.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -178.412498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.412498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.412498 (E_RNA)
where:
Base-Base interactions energy: -115.553
where: short stacking energy: -49.255
Base-Backbone interact. energy: -0.023
local terms energy: -62.836412
where:
bonds (distance) C4'-P energy: -12.493
bonds (distance) P-C4' energy: -13.469
flat angles C4'-P-C4' energy: -11.588
flat angles P-C4'-P energy: -8.021
tors. eta vs tors. theta energy: -17.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -185.588765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.588765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.588765 (E_RNA)
where:
Base-Base interactions energy: -119.077
where: short stacking energy: -48.028
Base-Backbone interact. energy: -0.871
local terms energy: -65.640727
where:
bonds (distance) C4'-P energy: -11.818
bonds (distance) P-C4' energy: -14.365
flat angles C4'-P-C4' energy: -12.915
flat angles P-C4'-P energy: -10.692
tors. eta vs tors. theta energy: -15.852
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: 4, replica: 1
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -175.795805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.795805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.795805 (E_RNA)
where:
Base-Base interactions energy: -112.704
where: short stacking energy: -43.918
Base-Backbone interact. energy: -0.867
local terms energy: -62.224739
where:
bonds (distance) C4'-P energy: -12.228
bonds (distance) P-C4' energy: -13.641
flat angles C4'-P-C4' energy: -10.717
flat angles P-C4'-P energy: -8.728
tors. eta vs tors. theta energy: -16.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -176.264095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.264095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.264095 (E_RNA)
where:
Base-Base interactions energy: -112.612
where: short stacking energy: -43.867
Base-Backbone interact. energy: -0.457
local terms energy: -63.194540
where:
bonds (distance) C4'-P energy: -13.036
bonds (distance) P-C4' energy: -13.094
flat angles C4'-P-C4' energy: -12.982
flat angles P-C4'-P energy: -7.938
tors. eta vs tors. theta energy: -16.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -95.810188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.810188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.810188 (E_RNA)
where:
Base-Base interactions energy: -37.308
where: short stacking energy: -30.328
Base-Backbone interact. energy: -0.119
local terms energy: -58.383565
where:
bonds (distance) C4'-P energy: -11.922
bonds (distance) P-C4' energy: -13.107
flat angles C4'-P-C4' energy: -12.187
flat angles P-C4'-P energy: -8.534
tors. eta vs tors. theta energy: -12.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -70.591071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.591071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.591071 (E_RNA)
where:
Base-Base interactions energy: -27.391
where: short stacking energy: -19.538
Base-Backbone interact. energy: -0.002
local terms energy: -43.198433
where:
bonds (distance) C4'-P energy: -11.888
bonds (distance) P-C4' energy: -11.021
flat angles C4'-P-C4' energy: -9.989
flat angles P-C4'-P energy: -7.981
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: 8, replica: 2
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -85.885823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.885823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.885823 (E_RNA)
where:
Base-Base interactions energy: -47.904
where: short stacking energy: -20.599
Base-Backbone interact. energy: -0.032
local terms energy: -37.950028
where:
bonds (distance) C4'-P energy: -10.163
bonds (distance) P-C4' energy: -10.186
flat angles C4'-P-C4' energy: -8.924
flat angles P-C4'-P energy: -6.113
tors. eta vs tors. theta energy: -2.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -67.472427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.472427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.472427 (E_RNA)
where:
Base-Base interactions energy: -27.865
where: short stacking energy: -27.136
Base-Backbone interact. energy: -0.027
local terms energy: -39.580193
where:
bonds (distance) C4'-P energy: -6.837
bonds (distance) P-C4' energy: -10.697
flat angles C4'-P-C4' energy: -10.279
flat angles P-C4'-P energy: -7.697
tors. eta vs tors. theta energy: -4.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -62.444747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.444747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.444747 (E_RNA)
where:
Base-Base interactions energy: -19.032
where: short stacking energy: -15.669
Base-Backbone interact. energy: -0.048
local terms energy: -43.365367
where:
bonds (distance) C4'-P energy: -11.280
bonds (distance) P-C4' energy: -13.315
flat angles C4'-P-C4' energy: -12.752
flat angles P-C4'-P energy: -3.140
tors. eta vs tors. theta energy: -2.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -184.501416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.501416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.501416 (E_RNA)
where:
Base-Base interactions energy: -121.047
where: short stacking energy: -49.483
Base-Backbone interact. energy: -0.006
local terms energy: -63.448034
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -9.732
flat angles C4'-P-C4' energy: -13.492
flat angles P-C4'-P energy: -9.831
tors. eta vs tors. theta energy: -17.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -176.116853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.116853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.116853 (E_RNA)
where:
Base-Base interactions energy: -114.785
where: short stacking energy: -43.201
Base-Backbone interact. energy: -0.008
local terms energy: -61.323972
where:
bonds (distance) C4'-P energy: -9.537
bonds (distance) P-C4' energy: -13.106
flat angles C4'-P-C4' energy: -14.402
flat angles P-C4'-P energy: -7.448
tors. eta vs tors. theta energy: -16.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -174.329067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.329067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.329067 (E_RNA)
where:
Base-Base interactions energy: -114.063
where: short stacking energy: -43.436
Base-Backbone interact. energy: -0.110
local terms energy: -60.156179
where:
bonds (distance) C4'-P energy: -14.137
bonds (distance) P-C4' energy: -11.973
flat angles C4'-P-C4' energy: -9.838
flat angles P-C4'-P energy: -8.366
tors. eta vs tors. theta energy: -15.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -167.550574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.550574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.550574 (E_RNA)
where:
Base-Base interactions energy: -109.496
where: short stacking energy: -43.976
Base-Backbone interact. energy: 2.849
local terms energy: -60.903804
where:
bonds (distance) C4'-P energy: -10.923
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -12.086
flat angles P-C4'-P energy: -10.384
tors. eta vs tors. theta energy: -13.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -169.858378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.858378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.858378 (E_RNA)
where:
Base-Base interactions energy: -111.004
where: short stacking energy: -39.549
Base-Backbone interact. energy: -0.902
local terms energy: -57.952213
where:
bonds (distance) C4'-P energy: -11.338
bonds (distance) P-C4' energy: -10.315
flat angles C4'-P-C4' energy: -11.759
flat angles P-C4'-P energy: -8.912
tors. eta vs tors. theta energy: -15.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -98.117552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.117552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.117552 (E_RNA)
where:
Base-Base interactions energy: -47.738
where: short stacking energy: -20.014
Base-Backbone interact. energy: -0.934
local terms energy: -49.445837
where:
bonds (distance) C4'-P energy: -12.308
bonds (distance) P-C4' energy: -8.267
flat angles C4'-P-C4' energy: -13.346
flat angles P-C4'-P energy: -9.787
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: 7, replica: 2
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -72.341081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.341081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.341081 (E_RNA)
where:
Base-Base interactions energy: -33.036
where: short stacking energy: -17.490
Base-Backbone interact. energy: -0.431
local terms energy: -38.874048
where:
bonds (distance) C4'-P energy: -9.324
bonds (distance) P-C4' energy: -11.151
flat angles C4'-P-C4' energy: -8.385
flat angles P-C4'-P energy: -6.236
tors. eta vs tors. theta energy: -3.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -73.986112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.986112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.986112 (E_RNA)
where:
Base-Base interactions energy: -36.215
where: short stacking energy: -15.049
Base-Backbone interact. energy: -0.205
local terms energy: -37.566086
where:
bonds (distance) C4'-P energy: -12.000
bonds (distance) P-C4' energy: -11.947
flat angles C4'-P-C4' energy: -8.203
flat angles P-C4'-P energy: -5.178
tors. eta vs tors. theta energy: -0.237
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: 9, replica: 5
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -59.072309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.072309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.072309 (E_RNA)
where:
Base-Base interactions energy: -19.483
where: short stacking energy: -13.748
Base-Backbone interact. energy: -0.179
local terms energy: -39.409965
where:
bonds (distance) C4'-P energy: -7.546
bonds (distance) P-C4' energy: -15.827
flat angles C4'-P-C4' energy: -8.402
flat angles P-C4'-P energy: -6.002
tors. eta vs tors. theta energy: -1.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -57.029584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.029584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.029584 (E_RNA)
where:
Base-Base interactions energy: -14.956
where: short stacking energy: -14.956
Base-Backbone interact. energy: -0.142
local terms energy: -41.931011
where:
bonds (distance) C4'-P energy: -8.634
bonds (distance) P-C4' energy: -12.342
flat angles C4'-P-C4' energy: -9.626
flat angles P-C4'-P energy: -9.394
tors. eta vs tors. theta energy: -1.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -175.232997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.232997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.232997 (E_RNA)
where:
Base-Base interactions energy: -109.401
where: short stacking energy: -42.872
Base-Backbone interact. energy: -0.021
local terms energy: -65.810734
where:
bonds (distance) C4'-P energy: -13.967
bonds (distance) P-C4' energy: -14.321
flat angles C4'-P-C4' energy: -11.624
flat angles P-C4'-P energy: -9.490
tors. eta vs tors. theta energy: -16.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -177.585569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.585569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.585569 (E_RNA)
where:
Base-Base interactions energy: -117.656
where: short stacking energy: -47.562
Base-Backbone interact. energy: -1.183
local terms energy: -58.746871
where:
bonds (distance) C4'-P energy: -5.664
bonds (distance) P-C4' energy: -13.645
flat angles C4'-P-C4' energy: -12.172
flat angles P-C4'-P energy: -9.993
tors. eta vs tors. theta energy: -17.274
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: 3
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -173.926737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.926737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.926737 (E_RNA)
where:
Base-Base interactions energy: -112.022
where: short stacking energy: -43.574
Base-Backbone interact. energy: 0.351
local terms energy: -62.255226
where:
bonds (distance) C4'-P energy: -13.094
bonds (distance) P-C4' energy: -11.169
flat angles C4'-P-C4' energy: -13.249
flat angles P-C4'-P energy: -8.310
tors. eta vs tors. theta energy: -16.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -172.074373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.074373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.074373 (E_RNA)
where:
Base-Base interactions energy: -120.026
where: short stacking energy: -39.418
Base-Backbone interact. energy: -0.053
local terms energy: -51.995777
where:
bonds (distance) C4'-P energy: -6.994
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -11.362
flat angles P-C4'-P energy: -4.861
tors. eta vs tors. theta energy: -13.905
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: 1
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -159.185562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.185562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.185562 (E_RNA)
where:
Base-Base interactions energy: -107.748
where: short stacking energy: -38.827
Base-Backbone interact. energy: -0.039
local terms energy: -51.397854
where:
bonds (distance) C4'-P energy: -5.497
bonds (distance) P-C4' energy: -13.520
flat angles C4'-P-C4' energy: -11.432
flat angles P-C4'-P energy: -7.634
tors. eta vs tors. theta energy: -13.316
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: 2
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -90.683561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.683561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.683561 (E_RNA)
where:
Base-Base interactions energy: -49.334
where: short stacking energy: -25.484
Base-Backbone interact. energy: -0.153
local terms energy: -41.196399
where:
bonds (distance) C4'-P energy: -9.393
bonds (distance) P-C4' energy: -10.432
flat angles C4'-P-C4' energy: -11.985
flat angles P-C4'-P energy: -7.704
tors. eta vs tors. theta energy: -1.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -73.299494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.299494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.299494 (E_RNA)
where:
Base-Base interactions energy: -32.861
where: short stacking energy: -11.306
Base-Backbone interact. energy: -0.184
local terms energy: -40.254550
where:
bonds (distance) C4'-P energy: -14.021
bonds (distance) P-C4' energy: -10.451
flat angles C4'-P-C4' energy: -6.002
flat angles P-C4'-P energy: -9.469
tors. eta vs tors. theta energy: -0.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -54.257623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.257623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.257623 (E_RNA)
where:
Base-Base interactions energy: -14.528
where: short stacking energy: -11.002
Base-Backbone interact. energy: -0.162
local terms energy: -39.567677
where:
bonds (distance) C4'-P energy: -5.320
bonds (distance) P-C4' energy: -15.119
flat angles C4'-P-C4' energy: -13.126
flat angles P-C4'-P energy: -9.548
tors. eta vs tors. theta energy: 3.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -59.694413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.694413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.694413 (E_RNA)
where:
Base-Base interactions energy: -26.046
where: short stacking energy: -14.329
Base-Backbone interact. energy: -0.168
local terms energy: -33.479886
where:
bonds (distance) C4'-P energy: -12.680
bonds (distance) P-C4' energy: -10.769
flat angles C4'-P-C4' energy: -5.321
flat angles P-C4'-P energy: -5.421
tors. eta vs tors. theta energy: 0.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -55.090227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.090227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.090227 (E_RNA)
where:
Base-Base interactions energy: -8.374
where: short stacking energy: -8.374
Base-Backbone interact. energy: -0.274
local terms energy: -46.442597
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -11.525
flat angles C4'-P-C4' energy: -12.093
flat angles P-C4'-P energy: -8.460
tors. eta vs tors. theta energy: 0.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -179.912237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.912237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.912237 (E_RNA)
where:
Base-Base interactions energy: -119.920
where: short stacking energy: -42.276
Base-Backbone interact. energy: -0.085
local terms energy: -59.907159
where:
bonds (distance) C4'-P energy: -9.243
bonds (distance) P-C4' energy: -12.423
flat angles C4'-P-C4' energy: -14.654
flat angles P-C4'-P energy: -10.371
tors. eta vs tors. theta energy: -13.217
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: 7
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -182.393950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.393950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.393950 (E_RNA)
where:
Base-Base interactions energy: -116.733
where: short stacking energy: -44.692
Base-Backbone interact. energy: 1.877
local terms energy: -67.538126
where:
bonds (distance) C4'-P energy: -14.216
bonds (distance) P-C4' energy: -13.571
flat angles C4'-P-C4' energy: -11.435
flat angles P-C4'-P energy: -11.394
tors. eta vs tors. theta energy: -16.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -165.304396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.304396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.304396 (E_RNA)
where:
Base-Base interactions energy: -100.854
where: short stacking energy: -37.175
Base-Backbone interact. energy: -0.009
local terms energy: -64.441501
where:
bonds (distance) C4'-P energy: -11.181
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -14.280
flat angles P-C4'-P energy: -10.115
tors. eta vs tors. theta energy: -14.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -176.812519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.812519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.812519 (E_RNA)
where:
Base-Base interactions energy: -115.659
where: short stacking energy: -49.322
Base-Backbone interact. energy: -0.005
local terms energy: -61.148796
where:
bonds (distance) C4'-P energy: -12.064
bonds (distance) P-C4' energy: -14.639
flat angles C4'-P-C4' energy: -8.202
flat angles P-C4'-P energy: -8.955
tors. eta vs tors. theta energy: -17.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -165.048944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.048944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.048944 (E_RNA)
where:
Base-Base interactions energy: -104.369
where: short stacking energy: -39.172
Base-Backbone interact. energy: -0.087
local terms energy: -60.592032
where:
bonds (distance) C4'-P energy: -10.750
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -14.410
flat angles P-C4'-P energy: -7.117
tors. eta vs tors. theta energy: -14.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -86.048810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.048810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.048810 (E_RNA)
where:
Base-Base interactions energy: -43.403
where: short stacking energy: -15.636
Base-Backbone interact. energy: 0.741
local terms energy: -43.387560
where:
bonds (distance) C4'-P energy: -11.090
bonds (distance) P-C4' energy: -10.583
flat angles C4'-P-C4' energy: -11.985
flat angles P-C4'-P energy: -8.673
tors. eta vs tors. theta energy: -1.057
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: 5
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -86.220684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.220684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.220684 (E_RNA)
where:
Base-Base interactions energy: -45.626
where: short stacking energy: -14.149
Base-Backbone interact. energy: -0.194
local terms energy: -40.400433
where:
bonds (distance) C4'-P energy: -9.298
bonds (distance) P-C4' energy: -10.401
flat angles C4'-P-C4' energy: -4.993
flat angles P-C4'-P energy: -9.166
tors. eta vs tors. theta energy: -6.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -76.732654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.732654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.732654 (E_RNA)
where:
Base-Base interactions energy: -34.403
where: short stacking energy: -21.715
Base-Backbone interact. energy: -1.514
local terms energy: -40.815884
where:
bonds (distance) C4'-P energy: -13.532
bonds (distance) P-C4' energy: -10.532
flat angles C4'-P-C4' energy: -11.500
flat angles P-C4'-P energy: -2.685
tors. eta vs tors. theta energy: -2.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -67.995055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.995055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.995055 (E_RNA)
where:
Base-Base interactions energy: -22.432
where: short stacking energy: -18.153
Base-Backbone interact. energy: -0.022
local terms energy: -45.540782
where:
bonds (distance) C4'-P energy: -8.942
bonds (distance) P-C4' energy: -13.138
flat angles C4'-P-C4' energy: -11.727
flat angles P-C4'-P energy: -7.425
tors. eta vs tors. theta energy: -4.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -57.676224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.676224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.676224 (E_RNA)
where:
Base-Base interactions energy: -17.752
where: short stacking energy: -8.213
Base-Backbone interact. energy: -0.272
local terms energy: -39.652769
where:
bonds (distance) C4'-P energy: -11.196
bonds (distance) P-C4' energy: -14.389
flat angles C4'-P-C4' energy: -6.511
flat angles P-C4'-P energy: -10.160
tors. eta vs tors. theta energy: 2.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -183.443690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.443690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.443690 (E_RNA)
where:
Base-Base interactions energy: -126.791
where: short stacking energy: -39.387
Base-Backbone interact. energy: -0.456
local terms energy: -56.196555
where:
bonds (distance) C4'-P energy: -12.767
bonds (distance) P-C4' energy: -12.790
flat angles C4'-P-C4' energy: -10.433
flat angles P-C4'-P energy: -8.311
tors. eta vs tors. theta energy: -11.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -157.037536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.037536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.037536 (E_RNA)
where:
Base-Base interactions energy: -103.506
where: short stacking energy: -42.785
Base-Backbone interact. energy: -0.000
local terms energy: -53.531041
where:
bonds (distance) C4'-P energy: -10.593
bonds (distance) P-C4' energy: -11.122
flat angles C4'-P-C4' energy: -9.871
flat angles P-C4'-P energy: -8.919
tors. eta vs tors. theta energy: -13.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -176.776845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.776845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.776845 (E_RNA)
where:
Base-Base interactions energy: -113.942
where: short stacking energy: -42.545
Base-Backbone interact. energy: -0.065
local terms energy: -62.769652
where:
bonds (distance) C4'-P energy: -10.796
bonds (distance) P-C4' energy: -12.039
flat angles C4'-P-C4' energy: -13.730
flat angles P-C4'-P energy: -11.377
tors. eta vs tors. theta energy: -14.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -171.699044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.699044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.699044 (E_RNA)
where:
Base-Base interactions energy: -112.710
where: short stacking energy: -38.974
Base-Backbone interact. energy: -0.029
local terms energy: -58.959358
where:
bonds (distance) C4'-P energy: -9.111
bonds (distance) P-C4' energy: -13.011
flat angles C4'-P-C4' energy: -12.358
flat angles P-C4'-P energy: -9.407
tors. eta vs tors. theta energy: -15.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -168.845525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.845525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.845525 (E_RNA)
where:
Base-Base interactions energy: -110.179
where: short stacking energy: -39.812
Base-Backbone interact. energy: -0.205
local terms energy: -58.461143
where:
bonds (distance) C4'-P energy: -13.027
bonds (distance) P-C4' energy: -13.970
flat angles C4'-P-C4' energy: -13.464
flat angles P-C4'-P energy: -5.099
tors. eta vs tors. theta energy: -12.901
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: 5
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -117.989590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.989590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.989590 (E_RNA)
where:
Base-Base interactions energy: -71.024
where: short stacking energy: -30.479
Base-Backbone interact. energy: -0.053
local terms energy: -46.912126
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -7.865
flat angles C4'-P-C4' energy: -10.366
flat angles P-C4'-P energy: -9.493
tors. eta vs tors. theta energy: -5.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -74.054345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.054345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.054345 (E_RNA)
where:
Base-Base interactions energy: -32.568
where: short stacking energy: -20.817
Base-Backbone interact. energy: -0.496
local terms energy: -40.989946
where:
bonds (distance) C4'-P energy: -11.107
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -11.191
flat angles P-C4'-P energy: -5.904
tors. eta vs tors. theta energy: 0.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -67.572791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.572791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.572791 (E_RNA)
where:
Base-Base interactions energy: -29.071
where: short stacking energy: -14.828
Base-Backbone interact. energy: -0.053
local terms energy: -38.449542
where:
bonds (distance) C4'-P energy: -8.924
bonds (distance) P-C4' energy: -11.683
flat angles C4'-P-C4' energy: -7.181
flat angles P-C4'-P energy: -7.231
tors. eta vs tors. theta energy: -3.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -66.539117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.539117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.539117 (E_RNA)
where:
Base-Base interactions energy: -28.055
where: short stacking energy: -19.246
Base-Backbone interact. energy: -0.094
local terms energy: -38.390471
where:
bonds (distance) C4'-P energy: -8.026
bonds (distance) P-C4' energy: -8.121
flat angles C4'-P-C4' energy: -10.208
flat angles P-C4'-P energy: -7.743
tors. eta vs tors. theta energy: -4.293
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: 10, replica: 4
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -71.095055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.095055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.095055 (E_RNA)
where:
Base-Base interactions energy: -27.581
where: short stacking energy: -9.521
Base-Backbone interact. energy: -0.240
local terms energy: -43.273541
where:
bonds (distance) C4'-P energy: -11.950
bonds (distance) P-C4' energy: -13.196
flat angles C4'-P-C4' energy: -10.241
flat angles P-C4'-P energy: -10.188
tors. eta vs tors. theta energy: 2.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -178.914049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.914049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.914049 (E_RNA)
where:
Base-Base interactions energy: -121.545
where: short stacking energy: -45.511
Base-Backbone interact. energy: -0.859
local terms energy: -56.509818
where:
bonds (distance) C4'-P energy: -8.534
bonds (distance) P-C4' energy: -13.380
flat angles C4'-P-C4' energy: -13.026
flat angles P-C4'-P energy: -10.404
tors. eta vs tors. theta energy: -11.166
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: 2, replica: 6
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -164.772267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.772267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.772267 (E_RNA)
where:
Base-Base interactions energy: -108.642
where: short stacking energy: -43.885
Base-Backbone interact. energy: -0.003
local terms energy: -56.126951
where:
bonds (distance) C4'-P energy: -11.561
bonds (distance) P-C4' energy: -9.388
flat angles C4'-P-C4' energy: -12.047
flat angles P-C4'-P energy: -10.092
tors. eta vs tors. theta energy: -13.038
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: 3, replica: 3
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -160.064415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.064415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.064415 (E_RNA)
where:
Base-Base interactions energy: -107.033
where: short stacking energy: -40.929
Base-Backbone interact. energy: -0.076
local terms energy: -52.955066
where:
bonds (distance) C4'-P energy: -10.174
bonds (distance) P-C4' energy: -7.758
flat angles C4'-P-C4' energy: -10.246
flat angles P-C4'-P energy: -8.623
tors. eta vs tors. theta energy: -16.153
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: 4, replica: 7
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -167.681890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.681890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.681890 (E_RNA)
where:
Base-Base interactions energy: -106.781
where: short stacking energy: -36.757
Base-Backbone interact. energy: -0.100
local terms energy: -60.800805
where:
bonds (distance) C4'-P energy: -12.555
bonds (distance) P-C4' energy: -13.659
flat angles C4'-P-C4' energy: -12.091
flat angles P-C4'-P energy: -8.792
tors. eta vs tors. theta energy: -13.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -138.896597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.896597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.896597 (E_RNA)
where:
Base-Base interactions energy: -96.526
where: short stacking energy: -34.899
Base-Backbone interact. energy: -0.255
local terms energy: -42.114926
where:
bonds (distance) C4'-P energy: -5.419
bonds (distance) P-C4' energy: -12.977
flat angles C4'-P-C4' energy: -8.912
flat angles P-C4'-P energy: -5.826
tors. eta vs tors. theta energy: -8.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -161.209666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.209666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.209666 (E_RNA)
where:
Base-Base interactions energy: -107.550
where: short stacking energy: -34.597
Base-Backbone interact. energy: -0.007
local terms energy: -53.653349
where:
bonds (distance) C4'-P energy: -11.691
bonds (distance) P-C4' energy: -11.169
flat angles C4'-P-C4' energy: -9.997
flat angles P-C4'-P energy: -6.211
tors. eta vs tors. theta energy: -14.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -79.124629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.124629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.124629 (E_RNA)
where:
Base-Base interactions energy: -35.316
where: short stacking energy: -17.461
Base-Backbone interact. energy: 0.969
local terms energy: -44.777774
where:
bonds (distance) C4'-P energy: -10.751
bonds (distance) P-C4' energy: -12.004
flat angles C4'-P-C4' energy: -13.918
flat angles P-C4'-P energy: -6.231
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: 8, replica: 2
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -66.421857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.421857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.421857 (E_RNA)
where:
Base-Base interactions energy: -20.892
where: short stacking energy: -20.713
Base-Backbone interact. energy: -0.155
local terms energy: -45.374858
where:
bonds (distance) C4'-P energy: -8.830
bonds (distance) P-C4' energy: -13.938
flat angles C4'-P-C4' energy: -9.743
flat angles P-C4'-P energy: -8.463
tors. eta vs tors. theta energy: -4.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -65.369048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.369048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.369048 (E_RNA)
where:
Base-Base interactions energy: -21.799
where: short stacking energy: -21.356
Base-Backbone interact. energy: -0.002
local terms energy: -43.568110
where:
bonds (distance) C4'-P energy: -9.255
bonds (distance) P-C4' energy: -13.830
flat angles C4'-P-C4' energy: -9.566
flat angles P-C4'-P energy: -4.617
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: 10, replica: 8
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -71.831409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.831409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.831409 (E_RNA)
where:
Base-Base interactions energy: -39.027
where: short stacking energy: -12.582
Base-Backbone interact. energy: 0.642
local terms energy: -33.446202
where:
bonds (distance) C4'-P energy: -10.894
bonds (distance) P-C4' energy: -9.421
flat angles C4'-P-C4' energy: -9.877
flat angles P-C4'-P energy: -7.248
tors. eta vs tors. theta energy: 3.993
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: 1, replica: 9
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -182.273148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.273148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.273148 (E_RNA)
where:
Base-Base interactions energy: -122.704
where: short stacking energy: -34.642
Base-Backbone interact. energy: 0.066
local terms energy: -59.635736
where:
bonds (distance) C4'-P energy: -10.354
bonds (distance) P-C4' energy: -12.887
flat angles C4'-P-C4' energy: -12.966
flat angles P-C4'-P energy: -9.492
tors. eta vs tors. theta energy: -13.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -161.195562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.195562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.195562 (E_RNA)
where:
Base-Base interactions energy: -110.498
where: short stacking energy: -31.164
Base-Backbone interact. energy: -0.116
local terms energy: -50.581630
where:
bonds (distance) C4'-P energy: -12.617
bonds (distance) P-C4' energy: -12.815
flat angles C4'-P-C4' energy: -8.154
flat angles P-C4'-P energy: -5.384
tors. eta vs tors. theta energy: -11.612
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: 131
Temperature: 1.000000
Total energy: -173.024077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.024077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.024077 (E_RNA)
where:
Base-Base interactions energy: -115.181
where: short stacking energy: -42.870
Base-Backbone interact. energy: -0.102
local terms energy: -57.740307
where:
bonds (distance) C4'-P energy: -10.797
bonds (distance) P-C4' energy: -11.903
flat angles C4'-P-C4' energy: -14.251
flat angles P-C4'-P energy: -6.667
tors. eta vs tors. theta energy: -14.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -169.881180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.881180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.881180 (E_RNA)
where:
Base-Base interactions energy: -110.237
where: short stacking energy: -42.905
Base-Backbone interact. energy: -0.003
local terms energy: -59.641370
where:
bonds (distance) C4'-P energy: -11.077
bonds (distance) P-C4' energy: -10.079
flat angles C4'-P-C4' energy: -12.164
flat angles P-C4'-P energy: -9.713
tors. eta vs tors. theta energy: -16.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -121.422994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.422994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.422994 (E_RNA)
where:
Base-Base interactions energy: -74.676
where: short stacking energy: -21.146
Base-Backbone interact. energy: -0.259
local terms energy: -46.488370
where:
bonds (distance) C4'-P energy: -11.393
bonds (distance) P-C4' energy: -11.076
flat angles C4'-P-C4' energy: -12.338
flat angles P-C4'-P energy: -5.474
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: 6, replica: 1
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -164.977073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.977073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.977073 (E_RNA)
where:
Base-Base interactions energy: -110.649
where: short stacking energy: -33.648
Base-Backbone interact. energy: 0.398
local terms energy: -54.726354
where:
bonds (distance) C4'-P energy: -11.358
bonds (distance) P-C4' energy: -12.184
flat angles C4'-P-C4' energy: -14.258
flat angles P-C4'-P energy: -9.038
tors. eta vs tors. theta energy: -7.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -68.755394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.755394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.755394 (E_RNA)
where:
Base-Base interactions energy: -26.376
where: short stacking energy: -15.272
Base-Backbone interact. energy: -0.014
local terms energy: -42.366098
where:
bonds (distance) C4'-P energy: -12.469
bonds (distance) P-C4' energy: -13.343
flat angles C4'-P-C4' energy: -8.944
flat angles P-C4'-P energy: -6.848
tors. eta vs tors. theta energy: -0.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -65.420390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.420390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.420390 (E_RNA)
where:
Base-Base interactions energy: -17.859
where: short stacking energy: -17.859
Base-Backbone interact. energy: -0.410
local terms energy: -47.151617
where:
bonds (distance) C4'-P energy: -13.366
bonds (distance) P-C4' energy: -11.548
flat angles C4'-P-C4' energy: -9.331
flat angles P-C4'-P energy: -7.600
tors. eta vs tors. theta energy: -5.307
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: 9, replica: 2
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -66.481704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.481704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.481704 (E_RNA)
where:
Base-Base interactions energy: -24.764
where: short stacking energy: -8.909
Base-Backbone interact. energy: -0.694
local terms energy: -41.024392
where:
bonds (distance) C4'-P energy: -13.987
bonds (distance) P-C4' energy: -9.208
flat angles C4'-P-C4' energy: -9.603
flat angles P-C4'-P energy: -8.348
tors. eta vs tors. theta energy: 0.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -60.011777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.011777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.011777 (E_RNA)
where:
Base-Base interactions energy: -21.966
where: short stacking energy: -19.010
Base-Backbone interact. energy: -0.085
local terms energy: -37.960160
where:
bonds (distance) C4'-P energy: -11.027
bonds (distance) P-C4' energy: -6.930
flat angles C4'-P-C4' energy: -10.109
flat angles P-C4'-P energy: -8.963
tors. eta vs tors. theta energy: -0.931
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: 3
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -176.697528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.697528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.697528 (E_RNA)
where:
Base-Base interactions energy: -113.089
where: short stacking energy: -42.551
Base-Backbone interact. energy: -0.925
local terms energy: -62.683661
where:
bonds (distance) C4'-P energy: -13.690
bonds (distance) P-C4' energy: -13.852
flat angles C4'-P-C4' energy: -12.234
flat angles P-C4'-P energy: -8.945
tors. eta vs tors. theta energy: -13.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -178.446314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.446314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.446314 (E_RNA)
where:
Base-Base interactions energy: -122.980
where: short stacking energy: -41.930
Base-Backbone interact. energy: -0.109
local terms energy: -55.357592
where:
bonds (distance) C4'-P energy: -10.742
bonds (distance) P-C4' energy: -5.819
flat angles C4'-P-C4' energy: -12.132
flat angles P-C4'-P energy: -9.656
tors. eta vs tors. theta energy: -17.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -177.921921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.921921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.921921 (E_RNA)
where:
Base-Base interactions energy: -117.102
where: short stacking energy: -51.438
Base-Backbone interact. energy: -0.020
local terms energy: -60.799467
where:
bonds (distance) C4'-P energy: -10.721
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -13.202
flat angles P-C4'-P energy: -8.444
tors. eta vs tors. theta energy: -15.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -169.309172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.309172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.309172 (E_RNA)
where:
Base-Base interactions energy: -109.432
where: short stacking energy: -44.931
Base-Backbone interact. energy: -0.016
local terms energy: -59.861463
where:
bonds (distance) C4'-P energy: -10.772
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -11.652
flat angles P-C4'-P energy: -8.779
tors. eta vs tors. theta energy: -15.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -165.081440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.081440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.081440 (E_RNA)
where:
Base-Base interactions energy: -112.862
where: short stacking energy: -43.037
Base-Backbone interact. energy: -0.029
local terms energy: -52.190045
where:
bonds (distance) C4'-P energy: -14.377
bonds (distance) P-C4' energy: -4.154
flat angles C4'-P-C4' energy: -12.825
flat angles P-C4'-P energy: -5.219
tors. eta vs tors. theta energy: -15.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -114.884945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.884945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.884945 (E_RNA)
where:
Base-Base interactions energy: -70.172
where: short stacking energy: -25.628
Base-Backbone interact. energy: 0.483
local terms energy: -45.196347
where:
bonds (distance) C4'-P energy: -10.526
bonds (distance) P-C4' energy: -12.827
flat angles C4'-P-C4' energy: -11.483
flat angles P-C4'-P energy: -6.236
tors. eta vs tors. theta energy: -4.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -70.225532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.225532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.225532 (E_RNA)
where:
Base-Base interactions energy: -36.443
where: short stacking energy: -20.811
Base-Backbone interact. energy: -0.079
local terms energy: -33.703091
where:
bonds (distance) C4'-P energy: -6.423
bonds (distance) P-C4' energy: -12.358
flat angles C4'-P-C4' energy: -6.765
flat angles P-C4'-P energy: -5.145
tors. eta vs tors. theta energy: -3.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -64.939305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.939305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.939305 (E_RNA)
where:
Base-Base interactions energy: -23.431
where: short stacking energy: -13.919
Base-Backbone interact. energy: -0.494
local terms energy: -41.014450
where:
bonds (distance) C4'-P energy: -7.975
bonds (distance) P-C4' energy: -11.995
flat angles C4'-P-C4' energy: -11.482
flat angles P-C4'-P energy: -10.402
tors. eta vs tors. theta energy: 0.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -86.513635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.513635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.513635 (E_RNA)
where:
Base-Base interactions energy: -42.983
where: short stacking energy: -14.645
Base-Backbone interact. energy: -0.326
local terms energy: -43.204483
where:
bonds (distance) C4'-P energy: -9.482
bonds (distance) P-C4' energy: -12.072
flat angles C4'-P-C4' energy: -8.590
flat angles P-C4'-P energy: -8.058
tors. eta vs tors. theta energy: -5.002
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: 10, replica: 2
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -66.927145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.927145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.927145 (E_RNA)
where:
Base-Base interactions energy: -23.213
where: short stacking energy: -23.213
Base-Backbone interact. energy: -0.196
local terms energy: -43.518346
where:
bonds (distance) C4'-P energy: -12.257
bonds (distance) P-C4' energy: -6.640
flat angles C4'-P-C4' energy: -12.192
flat angles P-C4'-P energy: -6.055
tors. eta vs tors. theta energy: -6.375
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: 1, replica: 3
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -183.532835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.532835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.532835 (E_RNA)
where:
Base-Base interactions energy: -119.893
where: short stacking energy: -50.931
Base-Backbone interact. energy: -0.034
local terms energy: -63.606210
where:
bonds (distance) C4'-P energy: -11.276
bonds (distance) P-C4' energy: -12.896
flat angles C4'-P-C4' energy: -13.842
flat angles P-C4'-P energy: -7.621
tors. eta vs tors. theta energy: -17.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -179.424621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.424621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.424621 (E_RNA)
where:
Base-Base interactions energy: -116.525
where: short stacking energy: -49.145
Base-Backbone interact. energy: -0.329
local terms energy: -62.570770
where:
bonds (distance) C4'-P energy: -10.224
bonds (distance) P-C4' energy: -10.542
flat angles C4'-P-C4' energy: -14.534
flat angles P-C4'-P energy: -10.472
tors. eta vs tors. theta energy: -16.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -172.552900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.552900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.552900 (E_RNA)
where:
Base-Base interactions energy: -110.944
where: short stacking energy: -48.455
Base-Backbone interact. energy: -0.002
local terms energy: -61.606811
where:
bonds (distance) C4'-P energy: -9.955
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -13.164
flat angles P-C4'-P energy: -8.272
tors. eta vs tors. theta energy: -17.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -170.846493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.846493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.846493 (E_RNA)
where:
Base-Base interactions energy: -110.756
where: short stacking energy: -39.621
Base-Backbone interact. energy: -0.002
local terms energy: -60.088529
where:
bonds (distance) C4'-P energy: -11.028
bonds (distance) P-C4' energy: -12.574
flat angles C4'-P-C4' energy: -13.074
flat angles P-C4'-P energy: -8.900
tors. eta vs tors. theta energy: -14.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -163.177529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.177529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.177529 (E_RNA)
where:
Base-Base interactions energy: -104.374
where: short stacking energy: -44.558
Base-Backbone interact. energy: -0.005
local terms energy: -58.798991
where:
bonds (distance) C4'-P energy: -12.739
bonds (distance) P-C4' energy: -10.913
flat angles C4'-P-C4' energy: -12.150
flat angles P-C4'-P energy: -11.916
tors. eta vs tors. theta energy: -11.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -111.373501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.373501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.373501 (E_RNA)
where:
Base-Base interactions energy: -58.295
where: short stacking energy: -24.496
Base-Backbone interact. energy: -0.026
local terms energy: -53.052362
where:
bonds (distance) C4'-P energy: -11.483
bonds (distance) P-C4' energy: -13.085
flat angles C4'-P-C4' energy: -13.121
flat angles P-C4'-P energy: -8.720
tors. eta vs tors. theta energy: -6.644
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: 7, replica: 4
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -75.646220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.646220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.646220 (E_RNA)
where:
Base-Base interactions energy: -36.691
where: short stacking energy: -10.561
Base-Backbone interact. energy: -0.152
local terms energy: -38.803780
where:
bonds (distance) C4'-P energy: -14.215
bonds (distance) P-C4' energy: -11.168
flat angles C4'-P-C4' energy: -7.801
flat angles P-C4'-P energy: -8.353
tors. eta vs tors. theta energy: 2.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -80.490598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.490598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.490598 (E_RNA)
where:
Base-Base interactions energy: -42.135
where: short stacking energy: -19.306
Base-Backbone interact. energy: 3.208
local terms energy: -41.563508
where:
bonds (distance) C4'-P energy: -8.817
bonds (distance) P-C4' energy: -12.371
flat angles C4'-P-C4' energy: -8.244
flat angles P-C4'-P energy: -8.690
tors. eta vs tors. theta energy: -3.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -62.935716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.935716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.935716 (E_RNA)
where:
Base-Base interactions energy: -24.990
where: short stacking energy: -24.990
Base-Backbone interact. energy: -0.003
local terms energy: -37.942406
where:
bonds (distance) C4'-P energy: -10.907
bonds (distance) P-C4' energy: -11.712
flat angles C4'-P-C4' energy: -7.341
flat angles P-C4'-P energy: -6.113
tors. eta vs tors. theta energy: -1.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -63.136502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.136502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.136502 (E_RNA)
where:
Base-Base interactions energy: -22.041
where: short stacking energy: -13.234
Base-Backbone interact. energy: -0.220
local terms energy: -40.875450
where:
bonds (distance) C4'-P energy: -8.622
bonds (distance) P-C4' energy: -12.518
flat angles C4'-P-C4' energy: -11.683
flat angles P-C4'-P energy: -6.669
tors. eta vs tors. theta energy: -1.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -178.313767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.313767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.313767 (E_RNA)
where:
Base-Base interactions energy: -115.237
where: short stacking energy: -45.889
Base-Backbone interact. energy: -1.017
local terms energy: -62.059240
where:
bonds (distance) C4'-P energy: -11.491
bonds (distance) P-C4' energy: -11.229
flat angles C4'-P-C4' energy: -13.011
flat angles P-C4'-P energy: -10.975
tors. eta vs tors. theta energy: -15.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -178.506200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.506200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.506200 (E_RNA)
where:
Base-Base interactions energy: -118.700
where: short stacking energy: -42.254
Base-Backbone interact. energy: -1.079
local terms energy: -58.727753
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -8.011
flat angles P-C4'-P energy: -8.394
tors. eta vs tors. theta energy: -15.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -170.835294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.835294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.835294 (E_RNA)
where:
Base-Base interactions energy: -117.948
where: short stacking energy: -42.140
Base-Backbone interact. energy: -1.068
local terms energy: -51.819543
where:
bonds (distance) C4'-P energy: -10.245
bonds (distance) P-C4' energy: -12.917
flat angles C4'-P-C4' energy: -9.682
flat angles P-C4'-P energy: -4.438
tors. eta vs tors. theta energy: -14.538
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: 134
Temperature: 1.050000
Total energy: -179.169578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.169578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.169578 (E_RNA)
where:
Base-Base interactions energy: -114.183
where: short stacking energy: -50.692
Base-Backbone interact. energy: -0.286
local terms energy: -64.700363
where:
bonds (distance) C4'-P energy: -8.954
bonds (distance) P-C4' energy: -12.004
flat angles C4'-P-C4' energy: -14.052
flat angles P-C4'-P energy: -11.425
tors. eta vs tors. theta energy: -18.265
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: 5, replica: 6
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -159.950844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.950844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.950844 (E_RNA)
where:
Base-Base interactions energy: -101.265
where: short stacking energy: -36.003
Base-Backbone interact. energy: -0.023
local terms energy: -58.662764
where:
bonds (distance) C4'-P energy: -11.731
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -12.089
flat angles P-C4'-P energy: -7.787
tors. eta vs tors. theta energy: -12.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -90.033028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.033028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.033028 (E_RNA)
where:
Base-Base interactions energy: -48.545
where: short stacking energy: -21.125
Base-Backbone interact. energy: -0.191
local terms energy: -41.297527
where:
bonds (distance) C4'-P energy: -10.737
bonds (distance) P-C4' energy: -12.367
flat angles C4'-P-C4' energy: -8.173
flat angles P-C4'-P energy: -3.009
tors. eta vs tors. theta energy: -7.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -59.205720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.205720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.205720 (E_RNA)
where:
Base-Base interactions energy: -15.755
where: short stacking energy: -12.613
Base-Backbone interact. energy: -0.117
local terms energy: -43.333626
where:
bonds (distance) C4'-P energy: -13.702
bonds (distance) P-C4' energy: -12.438
flat angles C4'-P-C4' energy: -7.081
flat angles P-C4'-P energy: -6.407
tors. eta vs tors. theta energy: -3.707
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: 8, replica: 4
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -70.366687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.366687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.366687 (E_RNA)
where:
Base-Base interactions energy: -23.926
where: short stacking energy: -23.510
Base-Backbone interact. energy: -0.192
local terms energy: -46.248768
where:
bonds (distance) C4'-P energy: -8.359
bonds (distance) P-C4' energy: -10.796
flat angles C4'-P-C4' energy: -8.156
flat angles P-C4'-P energy: -9.818
tors. eta vs tors. theta energy: -9.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -54.336456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.336456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.336456 (E_RNA)
where:
Base-Base interactions energy: -17.453
where: short stacking energy: -8.210
Base-Backbone interact. energy: 0.355
local terms energy: -37.238993
where:
bonds (distance) C4'-P energy: -7.128
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -10.308
flat angles P-C4'-P energy: -8.165
tors. eta vs tors. theta energy: 2.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -54.889364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.889364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.889364 (E_RNA)
where:
Base-Base interactions energy: -14.997
where: short stacking energy: -16.063
Base-Backbone interact. energy: -0.160
local terms energy: -39.732032
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -14.325
flat angles C4'-P-C4' energy: -10.152
flat angles P-C4'-P energy: -4.047
tors. eta vs tors. theta energy: 0.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -183.448912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.448912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.448912 (E_RNA)
where:
Base-Base interactions energy: -121.916
where: short stacking energy: -44.864
Base-Backbone interact. energy: -0.055
local terms energy: -61.477563
where:
bonds (distance) C4'-P energy: -13.458
bonds (distance) P-C4' energy: -12.423
flat angles C4'-P-C4' energy: -13.736
flat angles P-C4'-P energy: -4.402
tors. eta vs tors. theta energy: -17.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -173.583743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.583743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.583743 (E_RNA)
where:
Base-Base interactions energy: -113.234
where: short stacking energy: -45.963
Base-Backbone interact. energy: 0.205
local terms energy: -60.554922
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -12.884
flat angles C4'-P-C4' energy: -11.438
flat angles P-C4'-P energy: -5.284
tors. eta vs tors. theta energy: -18.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -170.227051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.227051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.227051 (E_RNA)
where:
Base-Base interactions energy: -103.495
where: short stacking energy: -48.402
Base-Backbone interact. energy: -1.288
local terms energy: -65.443481
where:
bonds (distance) C4'-P energy: -13.284
bonds (distance) P-C4' energy: -12.300
flat angles C4'-P-C4' energy: -13.108
flat angles P-C4'-P energy: -10.210
tors. eta vs tors. theta energy: -16.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -170.950422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.950422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.950422 (E_RNA)
where:
Base-Base interactions energy: -114.435
where: short stacking energy: -48.118
Base-Backbone interact. energy: -0.124
local terms energy: -56.391340
where:
bonds (distance) C4'-P energy: -9.206
bonds (distance) P-C4' energy: -9.358
flat angles C4'-P-C4' energy: -14.335
flat angles P-C4'-P energy: -8.847
tors. eta vs tors. theta energy: -14.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -135.537518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.537518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.537518 (E_RNA)
where:
Base-Base interactions energy: -84.698
where: short stacking energy: -34.587
Base-Backbone interact. energy: -0.079
local terms energy: -50.759829
where:
bonds (distance) C4'-P energy: -11.321
bonds (distance) P-C4' energy: -12.684
flat angles C4'-P-C4' energy: -5.790
flat angles P-C4'-P energy: -8.010
tors. eta vs tors. theta energy: -12.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -74.384639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.384639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.384639 (E_RNA)
where:
Base-Base interactions energy: -30.277
where: short stacking energy: -12.592
Base-Backbone interact. energy: -0.287
local terms energy: -43.821270
where:
bonds (distance) C4'-P energy: -11.571
bonds (distance) P-C4' energy: -14.664
flat angles C4'-P-C4' energy: -12.117
flat angles P-C4'-P energy: -8.046
tors. eta vs tors. theta energy: 2.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -74.239206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.239206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.239206 (E_RNA)
where:
Base-Base interactions energy: -28.226
where: short stacking energy: -18.087
Base-Backbone interact. energy: -0.170
local terms energy: -45.842941
where:
bonds (distance) C4'-P energy: -9.147
bonds (distance) P-C4' energy: -9.034
flat angles C4'-P-C4' energy: -11.585
flat angles P-C4'-P energy: -8.540
tors. eta vs tors. theta energy: -7.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -64.042559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.042559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.042559 (E_RNA)
where:
Base-Base interactions energy: -20.497
where: short stacking energy: -16.915
Base-Backbone interact. energy: -0.036
local terms energy: -43.509931
where:
bonds (distance) C4'-P energy: -11.536
bonds (distance) P-C4' energy: -8.230
flat angles C4'-P-C4' energy: -12.874
flat angles P-C4'-P energy: -5.641
tors. eta vs tors. theta energy: -5.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -66.446047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.446047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.446047 (E_RNA)
where:
Base-Base interactions energy: -24.208
where: short stacking energy: -16.653
Base-Backbone interact. energy: -0.006
local terms energy: -42.232003
where:
bonds (distance) C4'-P energy: -12.059
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -10.023
flat angles P-C4'-P energy: 1.380
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: 10
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -70.317210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.317210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.317210 (E_RNA)
where:
Base-Base interactions energy: -25.440
where: short stacking energy: -12.125
Base-Backbone interact. energy: -1.236
local terms energy: -43.641776
where:
bonds (distance) C4'-P energy: -10.328
bonds (distance) P-C4' energy: -15.376
flat angles C4'-P-C4' energy: -5.939
flat angles P-C4'-P energy: -10.957
tors. eta vs tors. theta energy: -1.041
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: 136
Temperature: 0.900000
Total energy: -178.871343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.871343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.871343 (E_RNA)
where:
Base-Base interactions energy: -114.298
where: short stacking energy: -43.579
Base-Backbone interact. energy: -1.304
local terms energy: -63.269923
where:
bonds (distance) C4'-P energy: -11.515
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -13.660
flat angles P-C4'-P energy: -9.792
tors. eta vs tors. theta energy: -12.965
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: 7
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -181.256093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.256093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.256093 (E_RNA)
where:
Base-Base interactions energy: -117.739
where: short stacking energy: -50.738
Base-Backbone interact. energy: -0.001
local terms energy: -63.516232
where:
bonds (distance) C4'-P energy: -13.736
bonds (distance) P-C4' energy: -11.859
flat angles C4'-P-C4' energy: -12.460
flat angles P-C4'-P energy: -8.196
tors. eta vs tors. theta energy: -17.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -173.687080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.687080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.687080 (E_RNA)
where:
Base-Base interactions energy: -115.159
where: short stacking energy: -49.939
Base-Backbone interact. energy: -0.079
local terms energy: -58.448593
where:
bonds (distance) C4'-P energy: -12.170
bonds (distance) P-C4' energy: -13.219
flat angles C4'-P-C4' energy: -12.548
flat angles P-C4'-P energy: -4.939
tors. eta vs tors. theta energy: -15.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -173.306221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.306221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.306221 (E_RNA)
where:
Base-Base interactions energy: -114.410
where: short stacking energy: -49.329
Base-Backbone interact. energy: -0.004
local terms energy: -58.892153
where:
bonds (distance) C4'-P energy: -12.941
bonds (distance) P-C4' energy: -12.404
flat angles C4'-P-C4' energy: -7.264
flat angles P-C4'-P energy: -8.639
tors. eta vs tors. theta energy: -17.644
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: 6
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -117.168126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.168126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.168126 (E_RNA)
where:
Base-Base interactions energy: -70.389
where: short stacking energy: -28.033
Base-Backbone interact. energy: -0.619
local terms energy: -46.159941
where:
bonds (distance) C4'-P energy: -10.205
bonds (distance) P-C4' energy: -9.985
flat angles C4'-P-C4' energy: -11.723
flat angles P-C4'-P energy: -4.208
tors. eta vs tors. theta energy: -10.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -88.329576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.329576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.329576 (E_RNA)
where:
Base-Base interactions energy: -44.706
where: short stacking energy: -20.757
Base-Backbone interact. energy: -0.090
local terms energy: -43.533826
where:
bonds (distance) C4'-P energy: -11.501
bonds (distance) P-C4' energy: -12.426
flat angles C4'-P-C4' energy: -9.920
flat angles P-C4'-P energy: -7.661
tors. eta vs tors. theta energy: -2.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -69.603177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.603177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.603177 (E_RNA)
where:
Base-Base interactions energy: -29.874
where: short stacking energy: -16.846
Base-Backbone interact. energy: -0.193
local terms energy: -39.536633
where:
bonds (distance) C4'-P energy: -11.580
bonds (distance) P-C4' energy: -11.690
flat angles C4'-P-C4' energy: -11.528
flat angles P-C4'-P energy: -5.310
tors. eta vs tors. theta energy: 0.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -61.958791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.958791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.958791 (E_RNA)
where:
Base-Base interactions energy: -16.067
where: short stacking energy: -16.067
Base-Backbone interact. energy: -0.169
local terms energy: -45.722626
where:
bonds (distance) C4'-P energy: -12.154
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -10.498
flat angles P-C4'-P energy: -5.215
tors. eta vs tors. theta energy: -3.890
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: 10
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -60.693808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.693808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.693808 (E_RNA)
where:
Base-Base interactions energy: -26.235
where: short stacking energy: -10.467
Base-Backbone interact. energy: 0.041
local terms energy: -34.499772
where:
bonds (distance) C4'-P energy: -7.310
bonds (distance) P-C4' energy: -12.672
flat angles C4'-P-C4' energy: -8.412
flat angles P-C4'-P energy: -7.833
tors. eta vs tors. theta energy: 1.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -66.724265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.724265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.724265 (E_RNA)
where:
Base-Base interactions energy: -24.018
where: short stacking energy: -22.720
Base-Backbone interact. energy: -0.263
local terms energy: -42.443530
where:
bonds (distance) C4'-P energy: -11.695
bonds (distance) P-C4' energy: -14.674
flat angles C4'-P-C4' energy: -10.265
flat angles P-C4'-P energy: -5.460
tors. eta vs tors. theta energy: -0.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -184.156050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.156050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.156050 (E_RNA)
where:
Base-Base interactions energy: -121.751
where: short stacking energy: -43.475
Base-Backbone interact. energy: -1.102
local terms energy: -61.303168
where:
bonds (distance) C4'-P energy: -13.950
bonds (distance) P-C4' energy: -13.057
flat angles C4'-P-C4' energy: -12.843
flat angles P-C4'-P energy: -11.499
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: 2, replica: 1
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -179.666964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.666964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.666964 (E_RNA)
where:
Base-Base interactions energy: -113.780
where: short stacking energy: -42.654
Base-Backbone interact. energy: -0.109
local terms energy: -65.777699
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -12.299
flat angles P-C4'-P energy: -7.610
tors. eta vs tors. theta energy: -17.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -176.902734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.902734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.902734 (E_RNA)
where:
Base-Base interactions energy: -117.643
where: short stacking energy: -48.912
Base-Backbone interact. energy: -0.096
local terms energy: -59.162921
where:
bonds (distance) C4'-P energy: -10.094
bonds (distance) P-C4' energy: -11.813
flat angles C4'-P-C4' energy: -14.226
flat angles P-C4'-P energy: -7.596
tors. eta vs tors. theta energy: -15.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -147.994086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.994086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.994086 (E_RNA)
where:
Base-Base interactions energy: -98.010
where: short stacking energy: -35.192
Base-Backbone interact. energy: -0.576
local terms energy: -49.407687
where:
bonds (distance) C4'-P energy: -12.672
bonds (distance) P-C4' energy: -13.870
flat angles C4'-P-C4' energy: -9.879
flat angles P-C4'-P energy: -5.036
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: 5, replica: 6
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -125.197776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.197776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.197776 (E_RNA)
where:
Base-Base interactions energy: -78.249
where: short stacking energy: -29.983
Base-Backbone interact. energy: -0.074
local terms energy: -46.874580
where:
bonds (distance) C4'-P energy: -8.879
bonds (distance) P-C4' energy: -12.917
flat angles C4'-P-C4' energy: -8.466
flat angles P-C4'-P energy: -6.223
tors. eta vs tors. theta energy: -10.389
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: 5
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -119.274662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.274662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.274662 (E_RNA)
where:
Base-Base interactions energy: -76.267
where: short stacking energy: -23.645
Base-Backbone interact. energy: -0.105
local terms energy: -42.902094
where:
bonds (distance) C4'-P energy: -9.189
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -12.876
flat angles P-C4'-P energy: -2.377
tors. eta vs tors. theta energy: -4.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -70.759663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.759663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.759663 (E_RNA)
where:
Base-Base interactions energy: -19.239
where: short stacking energy: -17.948
Base-Backbone interact. energy: -0.122
local terms energy: -51.398664
where:
bonds (distance) C4'-P energy: -13.736
bonds (distance) P-C4' energy: -13.318
flat angles C4'-P-C4' energy: -11.993
flat angles P-C4'-P energy: -7.504
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: 8, replica: 10
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -77.989313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.989313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.989313 (E_RNA)
where:
Base-Base interactions energy: -37.977
where: short stacking energy: -18.412
Base-Backbone interact. energy: 0.991
local terms energy: -41.003463
where:
bonds (distance) C4'-P energy: -13.052
bonds (distance) P-C4' energy: -10.898
flat angles C4'-P-C4' energy: -9.055
flat angles P-C4'-P energy: -6.158
tors. eta vs tors. theta energy: -1.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -70.898488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.898488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.898488 (E_RNA)
where:
Base-Base interactions energy: -32.791
where: short stacking energy: -12.957
Base-Backbone interact. energy: -0.055
local terms energy: -38.052709
where:
bonds (distance) C4'-P energy: -11.748
bonds (distance) P-C4' energy: -10.545
flat angles C4'-P-C4' energy: -8.840
flat angles P-C4'-P energy: -6.763
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: 2
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -60.661994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.661994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.661994 (E_RNA)
where:
Base-Base interactions energy: -22.834
where: short stacking energy: -16.826
Base-Backbone interact. energy: -0.160
local terms energy: -37.668483
where:
bonds (distance) C4'-P energy: -9.368
bonds (distance) P-C4' energy: -12.267
flat angles C4'-P-C4' energy: -11.415
flat angles P-C4'-P energy: -7.017
tors. eta vs tors. theta energy: 2.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -181.480513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.480513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.480513 (E_RNA)
where:
Base-Base interactions energy: -121.646
where: short stacking energy: -41.227
Base-Backbone interact. energy: -0.078
local terms energy: -59.756724
where:
bonds (distance) C4'-P energy: -12.779
bonds (distance) P-C4' energy: -13.092
flat angles C4'-P-C4' energy: -10.887
flat angles P-C4'-P energy: -8.225
tors. eta vs tors. theta energy: -14.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -181.594693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.594693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.594693 (E_RNA)
where:
Base-Base interactions energy: -117.336
where: short stacking energy: -41.711
Base-Backbone interact. energy: -0.097
local terms energy: -64.161585
where:
bonds (distance) C4'-P energy: -12.149
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -14.312
flat angles P-C4'-P energy: -10.611
tors. eta vs tors. theta energy: -12.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -172.249632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.249632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.249632 (E_RNA)
where:
Base-Base interactions energy: -112.851
where: short stacking energy: -40.861
Base-Backbone interact. energy: -0.529
local terms energy: -58.870116
where:
bonds (distance) C4'-P energy: -12.348
bonds (distance) P-C4' energy: -12.588
flat angles C4'-P-C4' energy: -11.708
flat angles P-C4'-P energy: -7.468
tors. eta vs tors. theta energy: -14.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -166.804590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.804590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.804590 (E_RNA)
where:
Base-Base interactions energy: -115.111
where: short stacking energy: -36.560
Base-Backbone interact. energy: -0.075
local terms energy: -51.618574
where:
bonds (distance) C4'-P energy: -6.416
bonds (distance) P-C4' energy: -9.862
flat angles C4'-P-C4' energy: -11.773
flat angles P-C4'-P energy: -9.211
tors. eta vs tors. theta energy: -14.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -125.032516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.032516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.032516 (E_RNA)
where:
Base-Base interactions energy: -74.258
where: short stacking energy: -29.203
Base-Backbone interact. energy: -0.005
local terms energy: -50.769883
where:
bonds (distance) C4'-P energy: -12.775
bonds (distance) P-C4' energy: -10.863
flat angles C4'-P-C4' energy: -9.679
flat angles P-C4'-P energy: -9.381
tors. eta vs tors. theta energy: -8.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -115.409468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.409468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.409468 (E_RNA)
where:
Base-Base interactions energy: -72.240
where: short stacking energy: -25.013
Base-Backbone interact. energy: 0.532
local terms energy: -43.701260
where:
bonds (distance) C4'-P energy: -10.000
bonds (distance) P-C4' energy: -12.923
flat angles C4'-P-C4' energy: -11.945
flat angles P-C4'-P energy: -6.394
tors. eta vs tors. theta energy: -2.438
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: 10
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -66.633717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.633717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.633717 (E_RNA)
where:
Base-Base interactions energy: -21.279
where: short stacking energy: -10.195
Base-Backbone interact. energy: -0.748
local terms energy: -44.607087
where:
bonds (distance) C4'-P energy: -13.255
bonds (distance) P-C4' energy: -11.619
flat angles C4'-P-C4' energy: -11.026
flat angles P-C4'-P energy: -7.732
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: 8, replica: 8
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -71.193513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.193513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.193513 (E_RNA)
where:
Base-Base interactions energy: -30.782
where: short stacking energy: -10.748
Base-Backbone interact. energy: -0.130
local terms energy: -40.281907
where:
bonds (distance) C4'-P energy: -11.077
bonds (distance) P-C4' energy: -13.705
flat angles C4'-P-C4' energy: -11.811
flat angles P-C4'-P energy: -7.943
tors. eta vs tors. theta energy: 4.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -60.901041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.901041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.901041 (E_RNA)
where:
Base-Base interactions energy: -18.550
where: short stacking energy: -18.550
Base-Backbone interact. energy: -0.151
local terms energy: -42.200135
where:
bonds (distance) C4'-P energy: -9.981
bonds (distance) P-C4' energy: -12.362
flat angles C4'-P-C4' energy: -10.982
flat angles P-C4'-P energy: -5.056
tors. eta vs tors. theta energy: -3.818
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: 4
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -58.183749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.183749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.183749 (E_RNA)
where:
Base-Base interactions energy: -17.322
where: short stacking energy: -15.890
Base-Backbone interact. energy: -0.119
local terms energy: -40.742657
where:
bonds (distance) C4'-P energy: -7.554
bonds (distance) P-C4' energy: -11.546
flat angles C4'-P-C4' energy: -9.871
flat angles P-C4'-P energy: -9.246
tors. eta vs tors. theta energy: -2.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -179.227160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.227160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.227160 (E_RNA)
where:
Base-Base interactions energy: -118.687
where: short stacking energy: -49.724
Base-Backbone interact. energy: -0.001
local terms energy: -60.538692
where:
bonds (distance) C4'-P energy: -13.673
bonds (distance) P-C4' energy: -10.623
flat angles C4'-P-C4' energy: -11.619
flat angles P-C4'-P energy: -10.017
tors. eta vs tors. theta energy: -14.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -176.860251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.860251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.860251 (E_RNA)
where:
Base-Base interactions energy: -113.763
where: short stacking energy: -43.222
Base-Backbone interact. energy: -0.106
local terms energy: -62.990948
where:
bonds (distance) C4'-P energy: -14.725
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -10.036
flat angles P-C4'-P energy: -8.714
tors. eta vs tors. theta energy: -14.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -176.761762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.761762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.761762 (E_RNA)
where:
Base-Base interactions energy: -114.239
where: short stacking energy: -48.255
Base-Backbone interact. energy: -0.001
local terms energy: -62.521240
where:
bonds (distance) C4'-P energy: -12.302
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -12.548
flat angles P-C4'-P energy: -8.361
tors. eta vs tors. theta energy: -16.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -166.496487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.496487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.496487 (E_RNA)
where:
Base-Base interactions energy: -110.548
where: short stacking energy: -39.443
Base-Backbone interact. energy: -0.236
local terms energy: -55.712364
where:
bonds (distance) C4'-P energy: -12.841
bonds (distance) P-C4' energy: -9.535
flat angles C4'-P-C4' energy: -11.663
flat angles P-C4'-P energy: -10.092
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: 5
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -137.385679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.385679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.385679 (E_RNA)
where:
Base-Base interactions energy: -80.322
where: short stacking energy: -34.728
Base-Backbone interact. energy: -0.124
local terms energy: -56.939952
where:
bonds (distance) C4'-P energy: -12.207
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -13.814
flat angles P-C4'-P energy: -6.114
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: 6, replica: 6
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -125.656742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.656742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.656742 (E_RNA)
where:
Base-Base interactions energy: -78.677
where: short stacking energy: -22.700
Base-Backbone interact. energy: 0.878
local terms energy: -47.857111
where:
bonds (distance) C4'-P energy: -9.988
bonds (distance) P-C4' energy: -10.024
flat angles C4'-P-C4' energy: -12.046
flat angles P-C4'-P energy: -6.371
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: 7, replica: 10
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -74.566482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.566482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.566482 (E_RNA)
where:
Base-Base interactions energy: -31.858
where: short stacking energy: -12.309
Base-Backbone interact. energy: -0.387
local terms energy: -42.321194
where:
bonds (distance) C4'-P energy: -8.212
bonds (distance) P-C4' energy: -12.423
flat angles C4'-P-C4' energy: -12.596
flat angles P-C4'-P energy: -7.955
tors. eta vs tors. theta energy: -1.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -68.771062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.771062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.771062 (E_RNA)
where:
Base-Base interactions energy: -24.787
where: short stacking energy: -24.787
Base-Backbone interact. energy: -0.037
local terms energy: -43.947132
where:
bonds (distance) C4'-P energy: -8.249
bonds (distance) P-C4' energy: -10.465
flat angles C4'-P-C4' energy: -11.039
flat angles P-C4'-P energy: -7.208
tors. eta vs tors. theta energy: -6.985
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: 8
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -58.319294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.319294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.319294 (E_RNA)
where:
Base-Base interactions energy: -18.674
where: short stacking energy: -15.241
Base-Backbone interact. energy: 1.142
local terms energy: -40.787720
where:
bonds (distance) C4'-P energy: -12.928
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -10.153
flat angles P-C4'-P energy: -6.006
tors. eta vs tors. theta energy: 2.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -59.114299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.114299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.114299 (E_RNA)
where:
Base-Base interactions energy: -14.286
where: short stacking energy: -14.286
Base-Backbone interact. energy: -0.500
local terms energy: -44.327967
where:
bonds (distance) C4'-P energy: -14.340
bonds (distance) P-C4' energy: -12.880
flat angles C4'-P-C4' energy: -5.761
flat angles P-C4'-P energy: -4.117
tors. eta vs tors. theta energy: -7.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -177.978014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.978014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.978014 (E_RNA)
where:
Base-Base interactions energy: -116.119
where: short stacking energy: -41.009
Base-Backbone interact. energy: -0.010
local terms energy: -61.848497
where:
bonds (distance) C4'-P energy: -12.643
bonds (distance) P-C4' energy: -12.662
flat angles C4'-P-C4' energy: -14.000
flat angles P-C4'-P energy: -8.888
tors. eta vs tors. theta energy: -13.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -183.244843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.244843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.244843 (E_RNA)
where:
Base-Base interactions energy: -118.530
where: short stacking energy: -49.376
Base-Backbone interact. energy: -0.037
local terms energy: -64.677055
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -10.317
flat angles C4'-P-C4' energy: -14.090
flat angles P-C4'-P energy: -9.260
tors. eta vs tors. theta energy: -17.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -174.665255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.665255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.665255 (E_RNA)
where:
Base-Base interactions energy: -115.664
where: short stacking energy: -45.875
Base-Backbone interact. energy: -0.022
local terms energy: -58.979568
where:
bonds (distance) C4'-P energy: -8.764
bonds (distance) P-C4' energy: -13.007
flat angles C4'-P-C4' energy: -13.697
flat angles P-C4'-P energy: -7.189
tors. eta vs tors. theta energy: -16.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -174.297953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.297953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.297953 (E_RNA)
where:
Base-Base interactions energy: -116.661
where: short stacking energy: -46.694
Base-Backbone interact. energy: 0.299
local terms energy: -57.936621
where:
bonds (distance) C4'-P energy: -12.477
bonds (distance) P-C4' energy: -10.249
flat angles C4'-P-C4' energy: -13.194
flat angles P-C4'-P energy: -7.150
tors. eta vs tors. theta energy: -14.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -168.084046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.084046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.084046 (E_RNA)
where:
Base-Base interactions energy: -112.820
where: short stacking energy: -35.681
Base-Backbone interact. energy: -0.279
local terms energy: -54.984714
where:
bonds (distance) C4'-P energy: -12.548
bonds (distance) P-C4' energy: -11.417
flat angles C4'-P-C4' energy: -10.842
flat angles P-C4'-P energy: -8.695
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: 6, replica: 6
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -69.258956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.258956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.258956 (E_RNA)
where:
Base-Base interactions energy: -21.134
where: short stacking energy: -9.568
Base-Backbone interact. energy: -0.541
local terms energy: -47.583740
where:
bonds (distance) C4'-P energy: -13.942
bonds (distance) P-C4' energy: -10.595
flat angles C4'-P-C4' energy: -8.788
flat angles P-C4'-P energy: -9.274
tors. eta vs tors. theta energy: -4.985
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: 2
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -72.307803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.307803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.307803 (E_RNA)
where:
Base-Base interactions energy: -36.392
where: short stacking energy: -12.256
Base-Backbone interact. energy: -0.474
local terms energy: -35.441945
where:
bonds (distance) C4'-P energy: -11.313
bonds (distance) P-C4' energy: -12.623
flat angles C4'-P-C4' energy: -7.972
flat angles P-C4'-P energy: -4.295
tors. eta vs tors. theta energy: 0.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -67.998731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.998731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.998731 (E_RNA)
where:
Base-Base interactions energy: -20.192
where: short stacking energy: -15.699
Base-Backbone interact. energy: -0.287
local terms energy: -47.519976
where:
bonds (distance) C4'-P energy: -11.206
bonds (distance) P-C4' energy: -12.070
flat angles C4'-P-C4' energy: -11.992
flat angles P-C4'-P energy: -12.576
tors. eta vs tors. theta energy: 0.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -71.502774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.502774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.502774 (E_RNA)
where:
Base-Base interactions energy: -37.746
where: short stacking energy: -11.391
Base-Backbone interact. energy: -0.199
local terms energy: -33.558082
where:
bonds (distance) C4'-P energy: -13.238
bonds (distance) P-C4' energy: -9.009
flat angles C4'-P-C4' energy: -8.172
flat angles P-C4'-P energy: -6.157
tors. eta vs tors. theta energy: 3.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -66.978327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.978327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.978327 (E_RNA)
where:
Base-Base interactions energy: -22.283
where: short stacking energy: -17.792
Base-Backbone interact. energy: -0.109
local terms energy: -44.586360
where:
bonds (distance) C4'-P energy: -11.223
bonds (distance) P-C4' energy: -13.812
flat angles C4'-P-C4' energy: -9.313
flat angles P-C4'-P energy: -8.545
tors. eta vs tors. theta energy: -1.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -181.086427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.086427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.086427 (E_RNA)
where:
Base-Base interactions energy: -124.478
where: short stacking energy: -44.985
Base-Backbone interact. energy: -0.061
local terms energy: -56.546966
where:
bonds (distance) C4'-P energy: -12.899
bonds (distance) P-C4' energy: -12.610
flat angles C4'-P-C4' energy: -12.101
flat angles P-C4'-P energy: -6.100
tors. eta vs tors. theta energy: -12.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -175.916422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.916422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.916422 (E_RNA)
where:
Base-Base interactions energy: -118.217
where: short stacking energy: -43.066
Base-Backbone interact. energy: -0.304
local terms energy: -57.395099
where:
bonds (distance) C4'-P energy: -8.205
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -12.583
flat angles P-C4'-P energy: -6.303
tors. eta vs tors. theta energy: -16.807
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: 3, replica: 1
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -176.695415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.695415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.695415 (E_RNA)
where:
Base-Base interactions energy: -117.881
where: short stacking energy: -46.928
Base-Backbone interact. energy: -0.020
local terms energy: -58.794095
where:
bonds (distance) C4'-P energy: -9.967
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -12.486
flat angles P-C4'-P energy: -6.669
tors. eta vs tors. theta energy: -17.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -176.077000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.077000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.077000 (E_RNA)
where:
Base-Base interactions energy: -114.049
where: short stacking energy: -45.548
Base-Backbone interact. energy: -0.003
local terms energy: -62.024720
where:
bonds (distance) C4'-P energy: -11.623
bonds (distance) P-C4' energy: -14.231
flat angles C4'-P-C4' energy: -12.092
flat angles P-C4'-P energy: -9.416
tors. eta vs tors. theta energy: -14.663
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: 5, replica: 3
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -172.338474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.338474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.338474 (E_RNA)
where:
Base-Base interactions energy: -114.325
where: short stacking energy: -46.234
Base-Backbone interact. energy: -0.017
local terms energy: -57.996725
where:
bonds (distance) C4'-P energy: -11.479
bonds (distance) P-C4' energy: -12.656
flat angles C4'-P-C4' energy: -8.991
flat angles P-C4'-P energy: -7.290
tors. eta vs tors. theta energy: -17.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -67.597575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.597575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.597575 (E_RNA)
where:
Base-Base interactions energy: -24.378
where: short stacking energy: -18.900
Base-Backbone interact. energy: -0.177
local terms energy: -43.043442
where:
bonds (distance) C4'-P energy: -11.499
bonds (distance) P-C4' energy: -12.214
flat angles C4'-P-C4' energy: -10.810
flat angles P-C4'-P energy: -7.167
tors. eta vs tors. theta energy: -1.354
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: 6
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -66.938939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.938939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.938939 (E_RNA)
where:
Base-Base interactions energy: -27.952
where: short stacking energy: -18.496
Base-Backbone interact. energy: -0.205
local terms energy: -38.782049
where:
bonds (distance) C4'-P energy: -10.861
bonds (distance) P-C4' energy: -9.299
flat angles C4'-P-C4' energy: -11.211
flat angles P-C4'-P energy: -7.442
tors. eta vs tors. theta energy: 0.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -62.469081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.469081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.469081 (E_RNA)
where:
Base-Base interactions energy: -20.959
where: short stacking energy: -17.910
Base-Backbone interact. energy: -0.057
local terms energy: -41.453018
where:
bonds (distance) C4'-P energy: -11.972
bonds (distance) P-C4' energy: -12.610
flat angles C4'-P-C4' energy: -8.450
flat angles P-C4'-P energy: -5.146
tors. eta vs tors. theta energy: -3.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -56.105653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.105653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.105653 (E_RNA)
where:
Base-Base interactions energy: -24.761
where: short stacking energy: -13.514
Base-Backbone interact. energy: -0.179
local terms energy: -31.165469
where:
bonds (distance) C4'-P energy: -10.555
bonds (distance) P-C4' energy: -10.696
flat angles C4'-P-C4' energy: -8.918
flat angles P-C4'-P energy: -5.297
tors. eta vs tors. theta energy: 4.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -57.674181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.674181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.674181 (E_RNA)
where:
Base-Base interactions energy: -17.212
where: short stacking energy: -17.212
Base-Backbone interact. energy: -0.071
local terms energy: -40.390864
where:
bonds (distance) C4'-P energy: -9.802
bonds (distance) P-C4' energy: -10.834
flat angles C4'-P-C4' energy: -9.704
flat angles P-C4'-P energy: -7.076
tors. eta vs tors. theta energy: -2.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -176.454229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.454229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.454229 (E_RNA)
where:
Base-Base interactions energy: -119.092
where: short stacking energy: -40.131
Base-Backbone interact. energy: -0.036
local terms energy: -57.326392
where:
bonds (distance) C4'-P energy: -10.638
bonds (distance) P-C4' energy: -13.469
flat angles C4'-P-C4' energy: -13.329
flat angles P-C4'-P energy: -9.124
tors. eta vs tors. theta energy: -10.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -173.658323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.658323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.658323 (E_RNA)
where:
Base-Base interactions energy: -109.776
where: short stacking energy: -46.903
Base-Backbone interact. energy: -0.020
local terms energy: -63.863161
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -11.049
flat angles C4'-P-C4' energy: -11.926
flat angles P-C4'-P energy: -12.112
tors. eta vs tors. theta energy: -16.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -179.931484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.931484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.931484 (E_RNA)
where:
Base-Base interactions energy: -121.850
where: short stacking energy: -45.471
Base-Backbone interact. energy: -0.001
local terms energy: -58.080475
where:
bonds (distance) C4'-P energy: -11.325
bonds (distance) P-C4' energy: -11.750
flat angles C4'-P-C4' energy: -12.574
flat angles P-C4'-P energy: -3.826
tors. eta vs tors. theta energy: -18.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -167.074319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.074319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.074319 (E_RNA)
where:
Base-Base interactions energy: -109.150
where: short stacking energy: -42.723
Base-Backbone interact. energy: -0.464
local terms energy: -57.460645
where:
bonds (distance) C4'-P energy: -12.406
bonds (distance) P-C4' energy: -10.895
flat angles C4'-P-C4' energy: -9.592
flat angles P-C4'-P energy: -7.849
tors. eta vs tors. theta energy: -16.719
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: 5, replica: 3
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -173.139334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.139334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.139334 (E_RNA)
where:
Base-Base interactions energy: -117.113
where: short stacking energy: -31.691
Base-Backbone interact. energy: -0.198
local terms energy: -55.828226
where:
bonds (distance) C4'-P energy: -11.163
bonds (distance) P-C4' energy: -12.039
flat angles C4'-P-C4' energy: -13.065
flat angles P-C4'-P energy: -8.783
tors. eta vs tors. theta energy: -10.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -68.300081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.300081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.300081 (E_RNA)
where:
Base-Base interactions energy: -23.925
where: short stacking energy: -15.859
Base-Backbone interact. energy: -0.674
local terms energy: -43.701452
where:
bonds (distance) C4'-P energy: -11.628
bonds (distance) P-C4' energy: -8.800
flat angles C4'-P-C4' energy: -10.889
flat angles P-C4'-P energy: -8.730
tors. eta vs tors. theta energy: -3.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -70.675624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.675624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.675624 (E_RNA)
where:
Base-Base interactions energy: -26.714
where: short stacking energy: -12.200
Base-Backbone interact. energy: -0.177
local terms energy: -43.784794
where:
bonds (distance) C4'-P energy: -11.429
bonds (distance) P-C4' energy: -13.589
flat angles C4'-P-C4' energy: -11.068
flat angles P-C4'-P energy: -5.905
tors. eta vs tors. theta energy: -1.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -62.195710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.195710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.195710 (E_RNA)
where:
Base-Base interactions energy: -22.266
where: short stacking energy: -16.226
Base-Backbone interact. energy: 0.095
local terms energy: -40.024809
where:
bonds (distance) C4'-P energy: -8.482
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -8.094
flat angles P-C4'-P energy: -8.410
tors. eta vs tors. theta energy: -0.393
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: 142
Temperature: 1.300000
Total energy: -67.034221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.034221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.034221 (E_RNA)
where:
Base-Base interactions energy: -22.869
where: short stacking energy: -15.735
Base-Backbone interact. energy: -1.013
local terms energy: -43.152072
where:
bonds (distance) C4'-P energy: -8.320
bonds (distance) P-C4' energy: -12.081
flat angles C4'-P-C4' energy: -10.645
flat angles P-C4'-P energy: -10.659
tors. eta vs tors. theta energy: -1.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -55.939980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.939980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.939980 (E_RNA)
where:
Base-Base interactions energy: -16.460
where: short stacking energy: -16.460
Base-Backbone interact. energy: -0.031
local terms energy: -39.448775
where:
bonds (distance) C4'-P energy: -11.390
bonds (distance) P-C4' energy: -11.790
flat angles C4'-P-C4' energy: -9.855
flat angles P-C4'-P energy: -4.985
tors. eta vs tors. theta energy: -1.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -182.828451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.828451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.828451 (E_RNA)
where:
Base-Base interactions energy: -117.949
where: short stacking energy: -48.049
Base-Backbone interact. energy: -0.028
local terms energy: -64.851555
where:
bonds (distance) C4'-P energy: -13.661
bonds (distance) P-C4' energy: -9.545
flat angles C4'-P-C4' energy: -13.598
flat angles P-C4'-P energy: -10.360
tors. eta vs tors. theta energy: -17.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -177.280658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.280658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.280658 (E_RNA)
where:
Base-Base interactions energy: -114.158
where: short stacking energy: -43.333
Base-Backbone interact. energy: -0.026
local terms energy: -63.097131
where:
bonds (distance) C4'-P energy: -13.690
bonds (distance) P-C4' energy: -11.830
flat angles C4'-P-C4' energy: -13.031
flat angles P-C4'-P energy: -7.949
tors. eta vs tors. theta energy: -16.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -173.740066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.740066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.740066 (E_RNA)
where:
Base-Base interactions energy: -116.634
where: short stacking energy: -43.101
Base-Backbone interact. energy: -0.040
local terms energy: -57.065924
where:
bonds (distance) C4'-P energy: -10.730
bonds (distance) P-C4' energy: -12.122
flat angles C4'-P-C4' energy: -14.711
flat angles P-C4'-P energy: -1.824
tors. eta vs tors. theta energy: -17.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -172.603288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.603288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.603288 (E_RNA)
where:
Base-Base interactions energy: -113.097
where: short stacking energy: -39.662
Base-Backbone interact. energy: -0.101
local terms energy: -59.405499
where:
bonds (distance) C4'-P energy: -12.618
bonds (distance) P-C4' energy: -10.923
flat angles C4'-P-C4' energy: -10.949
flat angles P-C4'-P energy: -9.664
tors. eta vs tors. theta energy: -15.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -168.139428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.139428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.139428 (E_RNA)
where:
Base-Base interactions energy: -110.365
where: short stacking energy: -41.435
Base-Backbone interact. energy: -0.102
local terms energy: -57.672026
where:
bonds (distance) C4'-P energy: -12.716
bonds (distance) P-C4' energy: -10.239
flat angles C4'-P-C4' energy: -11.391
flat angles P-C4'-P energy: -7.540
tors. eta vs tors. theta energy: -15.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -77.506466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.506466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.506466 (E_RNA)
where:
Base-Base interactions energy: -31.987
where: short stacking energy: -15.214
Base-Backbone interact. energy: -1.135
local terms energy: -44.384997
where:
bonds (distance) C4'-P energy: -13.068
bonds (distance) P-C4' energy: -12.243
flat angles C4'-P-C4' energy: -10.218
flat angles P-C4'-P energy: -11.420
tors. eta vs tors. theta energy: 2.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -73.246215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.246215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.246215 (E_RNA)
where:
Base-Base interactions energy: -33.011
where: short stacking energy: -16.194
Base-Backbone interact. energy: -0.738
local terms energy: -39.497932
where:
bonds (distance) C4'-P energy: -9.687
bonds (distance) P-C4' energy: -11.686
flat angles C4'-P-C4' energy: -13.668
flat angles P-C4'-P energy: -3.387
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: 8, replica: 8
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -61.773538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.773538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.773538 (E_RNA)
where:
Base-Base interactions energy: -24.085
where: short stacking energy: -24.085
Base-Backbone interact. energy: 0.400
local terms energy: -38.089006
where:
bonds (distance) C4'-P energy: -13.086
bonds (distance) P-C4' energy: -12.475
flat angles C4'-P-C4' energy: -3.868
flat angles P-C4'-P energy: -7.419
tors. eta vs tors. theta energy: -1.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -68.517999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.517999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.517999 (E_RNA)
where:
Base-Base interactions energy: -39.732
where: short stacking energy: -15.202
Base-Backbone interact. energy: -0.268
local terms energy: -28.517366
where:
bonds (distance) C4'-P energy: -3.855
bonds (distance) P-C4' energy: -7.259
flat angles C4'-P-C4' energy: -7.842
flat angles P-C4'-P energy: -8.895
tors. eta vs tors. theta energy: -0.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -60.752117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.752117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.752117 (E_RNA)
where:
Base-Base interactions energy: -21.568
where: short stacking energy: -15.537
Base-Backbone interact. energy: -0.338
local terms energy: -38.846405
where:
bonds (distance) C4'-P energy: -9.715
bonds (distance) P-C4' energy: -12.631
flat angles C4'-P-C4' energy: -10.048
flat angles P-C4'-P energy: -8.474
tors. eta vs tors. theta energy: 2.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -179.539867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.539867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.539867 (E_RNA)
where:
Base-Base interactions energy: -118.547
where: short stacking energy: -47.048
Base-Backbone interact. energy: -0.002
local terms energy: -60.990707
where:
bonds (distance) C4'-P energy: -8.900
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -12.761
flat angles P-C4'-P energy: -9.303
tors. eta vs tors. theta energy: -16.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -177.013056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.013056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.013056 (E_RNA)
where:
Base-Base interactions energy: -113.682
where: short stacking energy: -45.834
Base-Backbone interact. energy: -0.002
local terms energy: -63.329551
where:
bonds (distance) C4'-P energy: -10.932
bonds (distance) P-C4' energy: -13.595
flat angles C4'-P-C4' energy: -14.730
flat angles P-C4'-P energy: -8.061
tors. eta vs tors. theta energy: -16.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -178.182262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.182262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.182262 (E_RNA)
where:
Base-Base interactions energy: -113.507
where: short stacking energy: -47.914
Base-Backbone interact. energy: -0.002
local terms energy: -64.673363
where:
bonds (distance) C4'-P energy: -14.075
bonds (distance) P-C4' energy: -12.458
flat angles C4'-P-C4' energy: -13.753
flat angles P-C4'-P energy: -6.636
tors. eta vs tors. theta energy: -17.751
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: 4, replica: 7
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -174.334733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.334733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.334733 (E_RNA)
where:
Base-Base interactions energy: -111.002
where: short stacking energy: -45.602
Base-Backbone interact. energy: -0.003
local terms energy: -63.329374
where:
bonds (distance) C4'-P energy: -13.602
bonds (distance) P-C4' energy: -11.090
flat angles C4'-P-C4' energy: -13.626
flat angles P-C4'-P energy: -7.843
tors. eta vs tors. theta energy: -17.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -167.610161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.610161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.610161 (E_RNA)
where:
Base-Base interactions energy: -106.153
where: short stacking energy: -39.620
Base-Backbone interact. energy: -0.001
local terms energy: -61.456401
where:
bonds (distance) C4'-P energy: -13.354
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -11.079
flat angles P-C4'-P energy: -7.104
tors. eta vs tors. theta energy: -15.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -78.586035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.586035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.586035 (E_RNA)
where:
Base-Base interactions energy: -37.051
where: short stacking energy: -14.663
Base-Backbone interact. energy: -0.257
local terms energy: -41.278194
where:
bonds (distance) C4'-P energy: -9.352
bonds (distance) P-C4' energy: -12.398
flat angles C4'-P-C4' energy: -11.513
flat angles P-C4'-P energy: -7.566
tors. eta vs tors. theta energy: -0.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -68.410283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.410283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.410283 (E_RNA)
where:
Base-Base interactions energy: -17.820
where: short stacking energy: -17.820
Base-Backbone interact. energy: -1.747
local terms energy: -48.844014
where:
bonds (distance) C4'-P energy: -14.133
bonds (distance) P-C4' energy: -12.273
flat angles C4'-P-C4' energy: -9.865
flat angles P-C4'-P energy: -7.427
tors. eta vs tors. theta energy: -5.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -72.622016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.622016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.622016 (E_RNA)
where:
Base-Base interactions energy: -27.258
where: short stacking energy: -21.044
Base-Backbone interact. energy: -0.250
local terms energy: -45.114259
where:
bonds (distance) C4'-P energy: -11.793
bonds (distance) P-C4' energy: -11.349
flat angles C4'-P-C4' energy: -10.397
flat angles P-C4'-P energy: -8.379
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: 9, replica: 10
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -67.095152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.095152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.095152 (E_RNA)
where:
Base-Base interactions energy: -25.449
where: short stacking energy: -18.152
Base-Backbone interact. energy: -0.053
local terms energy: -41.592347
where:
bonds (distance) C4'-P energy: -12.973
bonds (distance) P-C4' energy: -10.222
flat angles C4'-P-C4' energy: -9.866
flat angles P-C4'-P energy: -7.474
tors. eta vs tors. theta energy: -1.058
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: 144
Temperature: 1.350000
Total energy: -59.368110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.368110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.368110 (E_RNA)
where:
Base-Base interactions energy: -26.496
where: short stacking energy: -15.680
Base-Backbone interact. energy: -0.697
local terms energy: -32.175086
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -8.854
flat angles C4'-P-C4' energy: -10.511
flat angles P-C4'-P energy: -3.955
tors. eta vs tors. theta energy: 4.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -183.934288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.934288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.934288 (E_RNA)
where:
Base-Base interactions energy: -118.639
where: short stacking energy: -51.718
Base-Backbone interact. energy: -0.006
local terms energy: -65.289154
where:
bonds (distance) C4'-P energy: -12.635
bonds (distance) P-C4' energy: -13.579
flat angles C4'-P-C4' energy: -13.791
flat angles P-C4'-P energy: -9.159
tors. eta vs tors. theta energy: -16.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -181.380061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.380061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.380061 (E_RNA)
where:
Base-Base interactions energy: -118.598
where: short stacking energy: -50.680
Base-Backbone interact. energy: -0.089
local terms energy: -62.693519
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -12.862
flat angles C4'-P-C4' energy: -13.234
flat angles P-C4'-P energy: -5.781
tors. eta vs tors. theta energy: -17.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -169.517049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.517049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.517049 (E_RNA)
where:
Base-Base interactions energy: -118.920
where: short stacking energy: -35.014
Base-Backbone interact. energy: -0.297
local terms energy: -50.300172
where:
bonds (distance) C4'-P energy: -11.227
bonds (distance) P-C4' energy: -9.916
flat angles C4'-P-C4' energy: -11.030
flat angles P-C4'-P energy: -8.133
tors. eta vs tors. theta energy: -9.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -175.017512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.017512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.017512 (E_RNA)
where:
Base-Base interactions energy: -121.681
where: short stacking energy: -42.268
Base-Backbone interact. energy: -0.623
local terms energy: -52.713693
where:
bonds (distance) C4'-P energy: -10.361
bonds (distance) P-C4' energy: -9.300
flat angles C4'-P-C4' energy: -11.986
flat angles P-C4'-P energy: -4.638
tors. eta vs tors. theta energy: -16.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -159.743219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.743219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.743219 (E_RNA)
where:
Base-Base interactions energy: -105.286
where: short stacking energy: -42.957
Base-Backbone interact. energy: -0.068
local terms energy: -54.388925
where:
bonds (distance) C4'-P energy: -9.794
bonds (distance) P-C4' energy: -11.806
flat angles C4'-P-C4' energy: -11.998
flat angles P-C4'-P energy: -7.489
tors. eta vs tors. theta energy: -13.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -72.985796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.985796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.985796 (E_RNA)
where:
Base-Base interactions energy: -27.455
where: short stacking energy: -23.547
Base-Backbone interact. energy: -0.033
local terms energy: -45.497586
where:
bonds (distance) C4'-P energy: -9.868
bonds (distance) P-C4' energy: -11.260
flat angles C4'-P-C4' energy: -11.949
flat angles P-C4'-P energy: -8.415
tors. eta vs tors. theta energy: -4.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -64.669118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.669118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.669118 (E_RNA)
where:
Base-Base interactions energy: -35.235
where: short stacking energy: -15.491
Base-Backbone interact. energy: -0.401
local terms energy: -29.033594
where:
bonds (distance) C4'-P energy: -10.737
bonds (distance) P-C4' energy: -12.064
flat angles C4'-P-C4' energy: -7.007
flat angles P-C4'-P energy: -0.912
tors. eta vs tors. theta energy: 1.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -56.660848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.660848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.660848 (E_RNA)
where:
Base-Base interactions energy: -23.046
where: short stacking energy: -8.621
Base-Backbone interact. energy: -0.414
local terms energy: -33.200916
where:
bonds (distance) C4'-P energy: -14.547
bonds (distance) P-C4' energy: -7.503
flat angles C4'-P-C4' energy: -10.912
flat angles P-C4'-P energy: -6.920
tors. eta vs tors. theta energy: 6.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -63.159018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.159018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.159018 (E_RNA)
where:
Base-Base interactions energy: -19.083
where: short stacking energy: -19.037
Base-Backbone interact. energy: -0.500
local terms energy: -43.575929
where:
bonds (distance) C4'-P energy: -13.214
bonds (distance) P-C4' energy: -11.542
flat angles C4'-P-C4' energy: -8.278
flat angles P-C4'-P energy: -6.287
tors. eta vs tors. theta energy: -4.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -56.278477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.278477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.278477 (E_RNA)
where:
Base-Base interactions energy: -12.423
where: short stacking energy: -10.923
Base-Backbone interact. energy: 0.154
local terms energy: -44.009613
where:
bonds (distance) C4'-P energy: -12.273
bonds (distance) P-C4' energy: -12.577
flat angles C4'-P-C4' energy: -8.261
flat angles P-C4'-P energy: -9.072
tors. eta vs tors. theta energy: -1.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -181.410709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.410709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.410709 (E_RNA)
where:
Base-Base interactions energy: -121.092
where: short stacking energy: -49.209
Base-Backbone interact. energy: -0.575
local terms energy: -59.743689
where:
bonds (distance) C4'-P energy: -9.840
bonds (distance) P-C4' energy: -13.147
flat angles C4'-P-C4' energy: -13.081
flat angles P-C4'-P energy: -7.659
tors. eta vs tors. theta energy: -16.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -177.291096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.291096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.291096 (E_RNA)
where:
Base-Base interactions energy: -117.833
where: short stacking energy: -39.438
Base-Backbone interact. energy: -0.084
local terms energy: -59.373929
where:
bonds (distance) C4'-P energy: -11.914
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -12.613
flat angles P-C4'-P energy: -5.889
tors. eta vs tors. theta energy: -14.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -174.240513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.240513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.240513 (E_RNA)
where:
Base-Base interactions energy: -110.039
where: short stacking energy: -50.416
Base-Backbone interact. energy: -0.281
local terms energy: -63.920167
where:
bonds (distance) C4'-P energy: -10.403
bonds (distance) P-C4' energy: -11.091
flat angles C4'-P-C4' energy: -11.684
flat angles P-C4'-P energy: -11.833
tors. eta vs tors. theta energy: -18.909
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: 9
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -162.389753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.389753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.389753 (E_RNA)
where:
Base-Base interactions energy: -107.694
where: short stacking energy: -43.707
Base-Backbone interact. energy: -0.356
local terms energy: -54.339023
where:
bonds (distance) C4'-P energy: -12.846
bonds (distance) P-C4' energy: -7.911
flat angles C4'-P-C4' energy: -11.644
flat angles P-C4'-P energy: -9.914
tors. eta vs tors. theta energy: -12.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -163.109153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.109153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.109153 (E_RNA)
where:
Base-Base interactions energy: -107.130
where: short stacking energy: -44.933
Base-Backbone interact. energy: -0.797
local terms energy: -55.181960
where:
bonds (distance) C4'-P energy: -10.884
bonds (distance) P-C4' energy: -12.607
flat angles C4'-P-C4' energy: -12.150
flat angles P-C4'-P energy: -4.543
tors. eta vs tors. theta energy: -14.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -70.840328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.840328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.840328 (E_RNA)
where:
Base-Base interactions energy: -29.852
where: short stacking energy: -20.889
Base-Backbone interact. energy: -0.070
local terms energy: -40.918070
where:
bonds (distance) C4'-P energy: -3.315
bonds (distance) P-C4' energy: -12.972
flat angles C4'-P-C4' energy: -12.781
flat angles P-C4'-P energy: -7.731
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: 7, replica: 10
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -74.899807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.899807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.899807 (E_RNA)
where:
Base-Base interactions energy: -32.455
where: short stacking energy: -22.823
Base-Backbone interact. energy: -0.511
local terms energy: -41.934403
where:
bonds (distance) C4'-P energy: -9.584
bonds (distance) P-C4' energy: -11.803
flat angles C4'-P-C4' energy: -10.167
flat angles P-C4'-P energy: -4.587
tors. eta vs tors. theta energy: -5.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -60.624845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.624845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.624845 (E_RNA)
where:
Base-Base interactions energy: -12.710
where: short stacking energy: -11.676
Base-Backbone interact. energy: 0.295
local terms energy: -48.209989
where:
bonds (distance) C4'-P energy: -11.072
bonds (distance) P-C4' energy: -13.364
flat angles C4'-P-C4' energy: -12.434
flat angles P-C4'-P energy: -9.371
tors. eta vs tors. theta energy: -1.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -63.497903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.497903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.497903 (E_RNA)
where:
Base-Base interactions energy: -21.180
where: short stacking energy: -20.816
Base-Backbone interact. energy: -0.012
local terms energy: -42.306075
where:
bonds (distance) C4'-P energy: -8.174
bonds (distance) P-C4' energy: -10.580
flat angles C4'-P-C4' energy: -12.259
flat angles P-C4'-P energy: -9.089
tors. eta vs tors. theta energy: -2.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -60.748439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.748439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.748439 (E_RNA)
where:
Base-Base interactions energy: -18.610
where: short stacking energy: -18.419
Base-Backbone interact. energy: -0.116
local terms energy: -42.021662
where:
bonds (distance) C4'-P energy: -8.073
bonds (distance) P-C4' energy: -12.433
flat angles C4'-P-C4' energy: -10.280
flat angles P-C4'-P energy: -6.862
tors. eta vs tors. theta energy: -4.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -174.520764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.520764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.520764 (E_RNA)
where:
Base-Base interactions energy: -118.785
where: short stacking energy: -40.798
Base-Backbone interact. energy: -0.028
local terms energy: -55.707130
where:
bonds (distance) C4'-P energy: -13.656
bonds (distance) P-C4' energy: -8.337
flat angles C4'-P-C4' energy: -11.004
flat angles P-C4'-P energy: -6.857
tors. eta vs tors. theta energy: -15.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -175.110671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.110671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.110671 (E_RNA)
where:
Base-Base interactions energy: -116.449
where: short stacking energy: -39.706
Base-Backbone interact. energy: -0.171
local terms energy: -58.490390
where:
bonds (distance) C4'-P energy: -11.690
bonds (distance) P-C4' energy: -11.905
flat angles C4'-P-C4' energy: -12.806
flat angles P-C4'-P energy: -8.472
tors. eta vs tors. theta energy: -13.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -170.019856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.019856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.019856 (E_RNA)
where:
Base-Base interactions energy: -110.076
where: short stacking energy: -42.152
Base-Backbone interact. energy: -0.076
local terms energy: -59.868490
where:
bonds (distance) C4'-P energy: -13.612
bonds (distance) P-C4' energy: -11.296
flat angles C4'-P-C4' energy: -12.154
flat angles P-C4'-P energy: -9.834
tors. eta vs tors. theta energy: -12.972
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: 9
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -169.554231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.554231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.554231 (E_RNA)
where:
Base-Base interactions energy: -114.443
where: short stacking energy: -44.912
Base-Backbone interact. energy: -0.062
local terms energy: -55.049295
where:
bonds (distance) C4'-P energy: -9.635
bonds (distance) P-C4' energy: -8.570
flat angles C4'-P-C4' energy: -13.394
flat angles P-C4'-P energy: -5.652
tors. eta vs tors. theta energy: -17.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -160.862783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.862783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.862783 (E_RNA)
where:
Base-Base interactions energy: -104.162
where: short stacking energy: -39.610
Base-Backbone interact. energy: -0.179
local terms energy: -56.521281
where:
bonds (distance) C4'-P energy: -10.327
bonds (distance) P-C4' energy: -14.029
flat angles C4'-P-C4' energy: -13.388
flat angles P-C4'-P energy: -7.203
tors. eta vs tors. theta energy: -11.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -86.718742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.718742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.718742 (E_RNA)
where:
Base-Base interactions energy: -45.423
where: short stacking energy: -17.618
Base-Backbone interact. energy: -0.133
local terms energy: -41.162738
where:
bonds (distance) C4'-P energy: -13.089
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -10.283
flat angles P-C4'-P energy: -4.875
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: 7, replica: 8
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -63.472224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.472224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.472224 (E_RNA)
where:
Base-Base interactions energy: -19.133
where: short stacking energy: -10.894
Base-Backbone interact. energy: 0.894
local terms energy: -45.232500
where:
bonds (distance) C4'-P energy: -14.617
bonds (distance) P-C4' energy: -15.118
flat angles C4'-P-C4' energy: -10.968
flat angles P-C4'-P energy: -7.331
tors. eta vs tors. theta energy: 2.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -64.134868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.134868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.134868 (E_RNA)
where:
Base-Base interactions energy: -14.421
where: short stacking energy: -10.876
Base-Backbone interact. energy: -0.065
local terms energy: -49.648505
where:
bonds (distance) C4'-P energy: -12.937
bonds (distance) P-C4' energy: -10.602
flat angles C4'-P-C4' energy: -10.804
flat angles P-C4'-P energy: -10.437
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: 9, replica: 4
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -70.970839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.970839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.970839 (E_RNA)
where:
Base-Base interactions energy: -32.551
where: short stacking energy: -15.701
Base-Backbone interact. energy: -0.811
local terms energy: -37.608852
where:
bonds (distance) C4'-P energy: -12.989
bonds (distance) P-C4' energy: -11.016
flat angles C4'-P-C4' energy: -5.251
flat angles P-C4'-P energy: -6.353
tors. eta vs tors. theta energy: -1.999
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: 6
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -78.779198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.779198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.779198 (E_RNA)
where:
Base-Base interactions energy: -38.839
where: short stacking energy: -13.758
Base-Backbone interact. energy: -0.253
local terms energy: -39.687640
where:
bonds (distance) C4'-P energy: -9.700
bonds (distance) P-C4' energy: -10.732
flat angles C4'-P-C4' energy: -9.025
flat angles P-C4'-P energy: -7.078
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: 5
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -178.759843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.759843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.759843 (E_RNA)
where:
Base-Base interactions energy: -114.913
where: short stacking energy: -42.416
Base-Backbone interact. energy: -0.243
local terms energy: -63.604183
where:
bonds (distance) C4'-P energy: -9.814
bonds (distance) P-C4' energy: -13.720
flat angles C4'-P-C4' energy: -14.344
flat angles P-C4'-P energy: -9.777
tors. eta vs tors. theta energy: -15.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -183.109603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.109603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.109603 (E_RNA)
where:
Base-Base interactions energy: -123.525
where: short stacking energy: -40.740
Base-Backbone interact. energy: -0.588
local terms energy: -58.996809
where:
bonds (distance) C4'-P energy: -10.700
bonds (distance) P-C4' energy: -11.979
flat angles C4'-P-C4' energy: -11.175
flat angles P-C4'-P energy: -7.612
tors. eta vs tors. theta energy: -17.530
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: 9
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -178.230053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.230053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.230053 (E_RNA)
where:
Base-Base interactions energy: -108.234
where: short stacking energy: -41.483
Base-Backbone interact. energy: -1.055
local terms energy: -68.941739
where:
bonds (distance) C4'-P energy: -14.120
bonds (distance) P-C4' energy: -13.110
flat angles C4'-P-C4' energy: -11.417
flat angles P-C4'-P energy: -13.152
tors. eta vs tors. theta energy: -17.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -171.139100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.139100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.139100 (E_RNA)
where:
Base-Base interactions energy: -108.267
where: short stacking energy: -40.833
Base-Backbone interact. energy: -0.131
local terms energy: -62.740966
where:
bonds (distance) C4'-P energy: -12.378
bonds (distance) P-C4' energy: -13.342
flat angles C4'-P-C4' energy: -13.834
flat angles P-C4'-P energy: -7.468
tors. eta vs tors. theta energy: -15.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -161.430114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.430114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.430114 (E_RNA)
where:
Base-Base interactions energy: -110.170
where: short stacking energy: -37.367
Base-Backbone interact. energy: 1.011
local terms energy: -52.270243
where:
bonds (distance) C4'-P energy: -12.050
bonds (distance) P-C4' energy: -10.647
flat angles C4'-P-C4' energy: -12.148
flat angles P-C4'-P energy: -8.002
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: 6, replica: 10
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -77.254545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.254545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.254545 (E_RNA)
where:
Base-Base interactions energy: -30.821
where: short stacking energy: -14.998
Base-Backbone interact. energy: -0.230
local terms energy: -46.203579
where:
bonds (distance) C4'-P energy: -10.427
bonds (distance) P-C4' energy: -12.843
flat angles C4'-P-C4' energy: -11.230
flat angles P-C4'-P energy: -10.363
tors. eta vs tors. theta energy: -1.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -72.849494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.849494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.849494 (E_RNA)
where:
Base-Base interactions energy: -36.726
where: short stacking energy: -9.356
Base-Backbone interact. energy: 1.262
local terms energy: -37.385740
where:
bonds (distance) C4'-P energy: -12.354
bonds (distance) P-C4' energy: -12.852
flat angles C4'-P-C4' energy: -8.059
flat angles P-C4'-P energy: -5.894
tors. eta vs tors. theta energy: 1.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -79.374580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.374580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.374580 (E_RNA)
where:
Base-Base interactions energy: -34.337
where: short stacking energy: -17.578
Base-Backbone interact. energy: -0.035
local terms energy: -45.002638
where:
bonds (distance) C4'-P energy: -9.132
bonds (distance) P-C4' energy: -13.808
flat angles C4'-P-C4' energy: -13.244
flat angles P-C4'-P energy: -7.077
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: 9, replica: 6
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -62.338479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.338479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.338479 (E_RNA)
where:
Base-Base interactions energy: -25.169
where: short stacking energy: -11.307
Base-Backbone interact. energy: -0.634
local terms energy: -36.535719
where:
bonds (distance) C4'-P energy: -9.069
bonds (distance) P-C4' energy: -10.343
flat angles C4'-P-C4' energy: -10.653
flat angles P-C4'-P energy: -7.526
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: 10, replica: 4
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -61.973328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.973328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.973328 (E_RNA)
where:
Base-Base interactions energy: -32.691
where: short stacking energy: -17.143
Base-Backbone interact. energy: -0.707
local terms energy: -28.575872
where:
bonds (distance) C4'-P energy: -7.419
bonds (distance) P-C4' energy: -8.577
flat angles C4'-P-C4' energy: -7.729
flat angles P-C4'-P energy: -6.172
tors. eta vs tors. theta energy: 1.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -175.412034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.412034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.412034 (E_RNA)
where:
Base-Base interactions energy: -116.767
where: short stacking energy: -39.055
Base-Backbone interact. energy: -0.140
local terms energy: -58.505832
where:
bonds (distance) C4'-P energy: -11.962
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -11.072
flat angles P-C4'-P energy: -9.253
tors. eta vs tors. theta energy: -13.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -181.172619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.172619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.172619 (E_RNA)
where:
Base-Base interactions energy: -121.451
where: short stacking energy: -51.411
Base-Backbone interact. energy: -0.002
local terms energy: -59.719868
where:
bonds (distance) C4'-P energy: -10.125
bonds (distance) P-C4' energy: -13.863
flat angles C4'-P-C4' energy: -10.528
flat angles P-C4'-P energy: -7.669
tors. eta vs tors. theta energy: -17.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -176.503524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.503524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.503524 (E_RNA)
where:
Base-Base interactions energy: -117.137
where: short stacking energy: -41.247
Base-Backbone interact. energy: -0.235
local terms energy: -59.130678
where:
bonds (distance) C4'-P energy: -9.985
bonds (distance) P-C4' energy: -10.785
flat angles C4'-P-C4' energy: -13.631
flat angles P-C4'-P energy: -9.049
tors. eta vs tors. theta energy: -15.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -173.333055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.333055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.333055 (E_RNA)
where:
Base-Base interactions energy: -116.087
where: short stacking energy: -36.508
Base-Backbone interact. energy: -0.081
local terms energy: -57.164795
where:
bonds (distance) C4'-P energy: -13.247
bonds (distance) P-C4' energy: -12.792
flat angles C4'-P-C4' energy: -11.405
flat angles P-C4'-P energy: -8.105
tors. eta vs tors. theta energy: -11.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -163.520098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.520098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.520098 (E_RNA)
where:
Base-Base interactions energy: -104.567
where: short stacking energy: -40.885
Base-Backbone interact. energy: -0.186
local terms energy: -58.766660
where:
bonds (distance) C4'-P energy: -7.338
bonds (distance) P-C4' energy: -14.453
flat angles C4'-P-C4' energy: -13.268
flat angles P-C4'-P energy: -10.280
tors. eta vs tors. theta energy: -13.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -67.162735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.162735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.162735 (E_RNA)
where:
Base-Base interactions energy: -26.938
where: short stacking energy: -12.535
Base-Backbone interact. energy: -0.154
local terms energy: -40.071117
where:
bonds (distance) C4'-P energy: -11.205
bonds (distance) P-C4' energy: -12.659
flat angles C4'-P-C4' energy: -7.990
flat angles P-C4'-P energy: -6.280
tors. eta vs tors. theta energy: -1.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -67.250669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.250669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.250669 (E_RNA)
where:
Base-Base interactions energy: -28.554
where: short stacking energy: -12.619
Base-Backbone interact. energy: -0.005
local terms energy: -38.691776
where:
bonds (distance) C4'-P energy: -8.258
bonds (distance) P-C4' energy: -11.790
flat angles C4'-P-C4' energy: -9.177
flat angles P-C4'-P energy: -7.669
tors. eta vs tors. theta energy: -1.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -71.595752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.595752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.595752 (E_RNA)
where:
Base-Base interactions energy: -32.099
where: short stacking energy: -21.174
Base-Backbone interact. energy: 0.013
local terms energy: -39.509030
where:
bonds (distance) C4'-P energy: -9.132
bonds (distance) P-C4' energy: -12.399
flat angles C4'-P-C4' energy: -9.358
flat angles P-C4'-P energy: -6.068
tors. eta vs tors. theta energy: -2.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -93.533341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.533341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.533341 (E_RNA)
where:
Base-Base interactions energy: -44.834
where: short stacking energy: -19.493
Base-Backbone interact. energy: -0.127
local terms energy: -48.571556
where:
bonds (distance) C4'-P energy: -12.067
bonds (distance) P-C4' energy: -14.196
flat angles C4'-P-C4' energy: -10.761
flat angles P-C4'-P energy: -8.599
tors. eta vs tors. theta energy: -2.949
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: 10, replica: 4
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -64.307935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.307935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.307935 (E_RNA)
where:
Base-Base interactions energy: -33.578
where: short stacking energy: -21.223
Base-Backbone interact. energy: 2.943
local terms energy: -33.673278
where:
bonds (distance) C4'-P energy: -7.488
bonds (distance) P-C4' energy: -7.022
flat angles C4'-P-C4' energy: -11.557
flat angles P-C4'-P energy: -5.130
tors. eta vs tors. theta energy: -2.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -180.193555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.193555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.193555 (E_RNA)
where:
Base-Base interactions energy: -114.837
where: short stacking energy: -48.244
Base-Backbone interact. energy: -0.058
local terms energy: -65.298216
where:
bonds (distance) C4'-P energy: -11.678
bonds (distance) P-C4' energy: -14.121
flat angles C4'-P-C4' energy: -13.266
flat angles P-C4'-P energy: -9.502
tors. eta vs tors. theta energy: -16.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -175.535626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.535626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.535626 (E_RNA)
where:
Base-Base interactions energy: -116.590
where: short stacking energy: -36.878
Base-Backbone interact. energy: 0.597
local terms energy: -59.542019
where:
bonds (distance) C4'-P energy: -13.540
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -12.057
flat angles P-C4'-P energy: -8.780
tors. eta vs tors. theta energy: -11.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -174.975848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.975848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.975848 (E_RNA)
where:
Base-Base interactions energy: -117.027
where: short stacking energy: -39.804
Base-Backbone interact. energy: -0.430
local terms energy: -57.519722
where:
bonds (distance) C4'-P energy: -14.162
bonds (distance) P-C4' energy: -12.106
flat angles C4'-P-C4' energy: -13.252
flat angles P-C4'-P energy: -4.525
tors. eta vs tors. theta energy: -13.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -166.375124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.375124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.375124 (E_RNA)
where:
Base-Base interactions energy: -107.408
where: short stacking energy: -38.003
Base-Backbone interact. energy: -0.115
local terms energy: -58.851943
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -11.507
flat angles C4'-P-C4' energy: -13.833
flat angles P-C4'-P energy: -9.828
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: 1
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -165.875597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.875597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.875597 (E_RNA)
where:
Base-Base interactions energy: -114.349
where: short stacking energy: -43.463
Base-Backbone interact. energy: -0.056
local terms energy: -51.470248
where:
bonds (distance) C4'-P energy: -7.956
bonds (distance) P-C4' energy: -11.712
flat angles C4'-P-C4' energy: -11.675
flat angles P-C4'-P energy: -2.457
tors. eta vs tors. theta energy: -17.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -78.450058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.450058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.450058 (E_RNA)
where:
Base-Base interactions energy: -37.885
where: short stacking energy: -19.188
Base-Backbone interact. energy: -0.124
local terms energy: -40.440587
where:
bonds (distance) C4'-P energy: -14.385
bonds (distance) P-C4' energy: -10.612
flat angles C4'-P-C4' energy: -7.935
flat angles P-C4'-P energy: -6.118
tors. eta vs tors. theta energy: -1.390
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: 7, replica: 6
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -95.873183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.873183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.873183 (E_RNA)
where:
Base-Base interactions energy: -51.251
where: short stacking energy: -20.986
Base-Backbone interact. energy: 0.895
local terms energy: -45.516832
where:
bonds (distance) C4'-P energy: -11.292
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -10.930
flat angles P-C4'-P energy: -6.110
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: 8, replica: 10
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -61.284599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.284599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.284599 (E_RNA)
where:
Base-Base interactions energy: -20.697
where: short stacking energy: -10.205
Base-Backbone interact. energy: 0.008
local terms energy: -40.596366
where:
bonds (distance) C4'-P energy: -11.330
bonds (distance) P-C4' energy: -12.640
flat angles C4'-P-C4' energy: -10.899
flat angles P-C4'-P energy: -6.878
tors. eta vs tors. theta energy: 1.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -64.521718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.521718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.521718 (E_RNA)
where:
Base-Base interactions energy: -21.212
where: short stacking energy: -16.195
Base-Backbone interact. energy: -0.225
local terms energy: -43.085194
where:
bonds (distance) C4'-P energy: -11.545
bonds (distance) P-C4' energy: -13.301
flat angles C4'-P-C4' energy: -13.072
flat angles P-C4'-P energy: -7.107
tors. eta vs tors. theta energy: 1.939
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: 10, replica: 8
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -61.854623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.854623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.854623 (E_RNA)
where:
Base-Base interactions energy: -17.571
where: short stacking energy: -12.946
Base-Backbone interact. energy: -0.415
local terms energy: -43.868774
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -9.853
flat angles C4'-P-C4' energy: -12.181
flat angles P-C4'-P energy: -7.788
tors. eta vs tors. theta energy: -1.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -184.375005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.375005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.375005 (E_RNA)
where:
Base-Base interactions energy: -118.792
where: short stacking energy: -51.162
Base-Backbone interact. energy: -0.174
local terms energy: -65.408953
where:
bonds (distance) C4'-P energy: -10.870
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -13.890
flat angles P-C4'-P energy: -11.432
tors. eta vs tors. theta energy: -15.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -176.360202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.360202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.360202 (E_RNA)
where:
Base-Base interactions energy: -115.845
where: short stacking energy: -47.497
Base-Backbone interact. energy: -0.002
local terms energy: -60.513134
where:
bonds (distance) C4'-P energy: -13.308
bonds (distance) P-C4' energy: -12.465
flat angles C4'-P-C4' energy: -12.707
flat angles P-C4'-P energy: -7.336
tors. eta vs tors. theta energy: -14.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -173.999895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.999895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.999895 (E_RNA)
where:
Base-Base interactions energy: -108.018
where: short stacking energy: -43.011
Base-Backbone interact. energy: -0.002
local terms energy: -65.979448
where:
bonds (distance) C4'-P energy: -13.992
bonds (distance) P-C4' energy: -15.566
flat angles C4'-P-C4' energy: -13.045
flat angles P-C4'-P energy: -6.921
tors. eta vs tors. theta energy: -16.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -168.433205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.433205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.433205 (E_RNA)
where:
Base-Base interactions energy: -113.520
where: short stacking energy: -46.892
Base-Backbone interact. energy: -0.003
local terms energy: -54.910040
where:
bonds (distance) C4'-P energy: -7.266
bonds (distance) P-C4' energy: -8.750
flat angles C4'-P-C4' energy: -14.191
flat angles P-C4'-P energy: -8.207
tors. eta vs tors. theta energy: -16.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -161.824774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.824774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.824774 (E_RNA)
where:
Base-Base interactions energy: -102.632
where: short stacking energy: -44.809
Base-Backbone interact. energy: -0.013
local terms energy: -59.179006
where:
bonds (distance) C4'-P energy: -9.972
bonds (distance) P-C4' energy: -13.803
flat angles C4'-P-C4' energy: -14.041
flat angles P-C4'-P energy: -6.011
tors. eta vs tors. theta energy: -15.353
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: 2
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -87.372477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.372477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.372477 (E_RNA)
where:
Base-Base interactions energy: -46.069
where: short stacking energy: -19.904
Base-Backbone interact. energy: -0.302
local terms energy: -41.001698
where:
bonds (distance) C4'-P energy: -11.143
bonds (distance) P-C4' energy: -12.932
flat angles C4'-P-C4' energy: -3.704
flat angles P-C4'-P energy: -8.006
tors. eta vs tors. theta energy: -5.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -97.221810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.221810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.221810 (E_RNA)
where:
Base-Base interactions energy: -48.439
where: short stacking energy: -25.480
Base-Backbone interact. energy: -0.218
local terms energy: -48.564940
where:
bonds (distance) C4'-P energy: -11.798
bonds (distance) P-C4' energy: -11.084
flat angles C4'-P-C4' energy: -10.514
flat angles P-C4'-P energy: -4.799
tors. eta vs tors. theta energy: -10.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -70.872330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.872330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.872330 (E_RNA)
where:
Base-Base interactions energy: -31.913
where: short stacking energy: -21.292
Base-Backbone interact. energy: -0.071
local terms energy: -38.888813
where:
bonds (distance) C4'-P energy: -11.454
bonds (distance) P-C4' energy: -10.020
flat angles C4'-P-C4' energy: -6.973
flat angles P-C4'-P energy: -9.469
tors. eta vs tors. theta energy: -0.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -67.059571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.059571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.059571 (E_RNA)
where:
Base-Base interactions energy: -23.315
where: short stacking energy: -16.408
Base-Backbone interact. energy: -0.013
local terms energy: -43.731641
where:
bonds (distance) C4'-P energy: -12.298
bonds (distance) P-C4' energy: -15.330
flat angles C4'-P-C4' energy: -6.749
flat angles P-C4'-P energy: -7.388
tors. eta vs tors. theta energy: -1.967
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: 10, replica: 8
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -71.460476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.460476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.460476 (E_RNA)
where:
Base-Base interactions energy: -42.783
where: short stacking energy: -14.324
Base-Backbone interact. energy: -0.168
local terms energy: -28.509705
where:
bonds (distance) C4'-P energy: -11.827
bonds (distance) P-C4' energy: -11.089
flat angles C4'-P-C4' energy: -4.026
flat angles P-C4'-P energy: -1.649
tors. eta vs tors. theta energy: 0.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -187.977394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.977394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.977394 (E_RNA)
where:
Base-Base interactions energy: -120.611
where: short stacking energy: -51.032
Base-Backbone interact. energy: -0.012
local terms energy: -67.354660
where:
bonds (distance) C4'-P energy: -13.238
bonds (distance) P-C4' energy: -12.658
flat angles C4'-P-C4' energy: -12.961
flat angles P-C4'-P energy: -9.826
tors. eta vs tors. theta energy: -18.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -178.104279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.104279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.104279 (E_RNA)
where:
Base-Base interactions energy: -116.345
where: short stacking energy: -47.136
Base-Backbone interact. energy: -0.000
local terms energy: -61.758916
where:
bonds (distance) C4'-P energy: -10.569
bonds (distance) P-C4' energy: -11.561
flat angles C4'-P-C4' energy: -14.731
flat angles P-C4'-P energy: -9.208
tors. eta vs tors. theta energy: -15.690
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: 3, replica: 1
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -173.473357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.473357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.473357 (E_RNA)
where:
Base-Base interactions energy: -110.717
where: short stacking energy: -44.531
Base-Backbone interact. energy: -0.866
local terms energy: -61.889780
where:
bonds (distance) C4'-P energy: -12.103
bonds (distance) P-C4' energy: -11.229
flat angles C4'-P-C4' energy: -13.048
flat angles P-C4'-P energy: -9.750
tors. eta vs tors. theta energy: -15.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -166.206338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.206338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.206338 (E_RNA)
where:
Base-Base interactions energy: -109.297
where: short stacking energy: -42.215
Base-Backbone interact. energy: -0.511
local terms energy: -56.398071
where:
bonds (distance) C4'-P energy: -10.034
bonds (distance) P-C4' energy: -13.757
flat angles C4'-P-C4' energy: -11.661
flat angles P-C4'-P energy: -8.172
tors. eta vs tors. theta energy: -12.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -165.809180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.809180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.809180 (E_RNA)
where:
Base-Base interactions energy: -109.405
where: short stacking energy: -45.339
Base-Backbone interact. energy: -0.004
local terms energy: -56.400104
where:
bonds (distance) C4'-P energy: -5.458
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -12.132
flat angles P-C4'-P energy: -7.824
tors. eta vs tors. theta energy: -17.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -84.736620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.736620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.736620 (E_RNA)
where:
Base-Base interactions energy: -45.049
where: short stacking energy: -20.959
Base-Backbone interact. energy: -0.928
local terms energy: -38.759819
where:
bonds (distance) C4'-P energy: -10.700
bonds (distance) P-C4' energy: -10.714
flat angles C4'-P-C4' energy: -8.061
flat angles P-C4'-P energy: -6.854
tors. eta vs tors. theta energy: -2.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -121.181847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.181847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.181847 (E_RNA)
where:
Base-Base interactions energy: -79.830
where: short stacking energy: -28.649
Base-Backbone interact. energy: -0.314
local terms energy: -41.037464
where:
bonds (distance) C4'-P energy: -7.378
bonds (distance) P-C4' energy: -11.255
flat angles C4'-P-C4' energy: -9.599
flat angles P-C4'-P energy: -6.546
tors. eta vs tors. theta energy: -6.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -60.960548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.960548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.960548 (E_RNA)
where:
Base-Base interactions energy: -29.194
where: short stacking energy: -15.863
Base-Backbone interact. energy: -0.132
local terms energy: -31.634460
where:
bonds (distance) C4'-P energy: -6.469
bonds (distance) P-C4' energy: -9.025
flat angles C4'-P-C4' energy: -10.264
flat angles P-C4'-P energy: -4.999
tors. eta vs tors. theta energy: -0.877
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: 9, replica: 8
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -69.617884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.617884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.617884 (E_RNA)
where:
Base-Base interactions energy: -39.807
where: short stacking energy: -17.617
Base-Backbone interact. energy: -0.146
local terms energy: -29.665090
where:
bonds (distance) C4'-P energy: -9.029
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -3.626
flat angles P-C4'-P energy: -4.153
tors. eta vs tors. theta energy: -0.214
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: 10
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -60.823590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.823590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.823590 (E_RNA)
where:
Base-Base interactions energy: -21.374
where: short stacking energy: -15.801
Base-Backbone interact. energy: -1.001
local terms energy: -38.448495
where:
bonds (distance) C4'-P energy: -11.586
bonds (distance) P-C4' energy: -11.448
flat angles C4'-P-C4' energy: -6.643
flat angles P-C4'-P energy: -8.189
tors. eta vs tors. theta energy: -0.583
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: 153
Temperature: 0.900000
Total energy: -178.618162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.618162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.618162 (E_RNA)
where:
Base-Base interactions energy: -115.057
where: short stacking energy: -46.424
Base-Backbone interact. energy: -0.004
local terms energy: -63.557129
where:
bonds (distance) C4'-P energy: -15.073
bonds (distance) P-C4' energy: -12.553
flat angles C4'-P-C4' energy: -13.716
flat angles P-C4'-P energy: -4.855
tors. eta vs tors. theta energy: -17.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -176.811744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.811744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.811744 (E_RNA)
where:
Base-Base interactions energy: -118.321
where: short stacking energy: -39.455
Base-Backbone interact. energy: -0.235
local terms energy: -58.255709
where:
bonds (distance) C4'-P energy: -9.442
bonds (distance) P-C4' energy: -14.307
flat angles C4'-P-C4' energy: -14.983
flat angles P-C4'-P energy: -4.914
tors. eta vs tors. theta energy: -14.610
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: 3, replica: 7
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -172.388275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.388275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.388275 (E_RNA)
where:
Base-Base interactions energy: -113.231
where: short stacking energy: -49.220
Base-Backbone interact. energy: -0.018
local terms energy: -59.138926
where:
bonds (distance) C4'-P energy: -11.711
bonds (distance) P-C4' energy: -13.307
flat angles C4'-P-C4' energy: -14.399
flat angles P-C4'-P energy: -5.050
tors. eta vs tors. theta energy: -14.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -164.972053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.972053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.972053 (E_RNA)
where:
Base-Base interactions energy: -108.428
where: short stacking energy: -41.847
Base-Backbone interact. energy: -0.265
local terms energy: -56.278244
where:
bonds (distance) C4'-P energy: -11.508
bonds (distance) P-C4' energy: -5.025
flat angles C4'-P-C4' energy: -12.342
flat angles P-C4'-P energy: -11.575
tors. eta vs tors. theta energy: -15.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -165.004508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.004508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.004508 (E_RNA)
where:
Base-Base interactions energy: -109.769
where: short stacking energy: -38.907
Base-Backbone interact. energy: -0.221
local terms energy: -55.014655
where:
bonds (distance) C4'-P energy: -8.631
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -8.627
flat angles P-C4'-P energy: -7.983
tors. eta vs tors. theta energy: -15.414
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: 6
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -130.316541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.316541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.316541 (E_RNA)
where:
Base-Base interactions energy: -76.898
where: short stacking energy: -33.909
Base-Backbone interact. energy: -0.051
local terms energy: -53.367384
where:
bonds (distance) C4'-P energy: -8.606
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -10.702
flat angles P-C4'-P energy: -8.969
tors. eta vs tors. theta energy: -12.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -62.806038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.806038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.806038 (E_RNA)
where:
Base-Base interactions energy: -21.520
where: short stacking energy: -17.383
Base-Backbone interact. energy: -0.145
local terms energy: -41.141332
where:
bonds (distance) C4'-P energy: -9.492
bonds (distance) P-C4' energy: -12.302
flat angles C4'-P-C4' energy: -4.862
flat angles P-C4'-P energy: -8.682
tors. eta vs tors. theta energy: -5.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -61.665859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.665859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.665859 (E_RNA)
where:
Base-Base interactions energy: -18.074
where: short stacking energy: -18.074
Base-Backbone interact. energy: -0.093
local terms energy: -43.498372
where:
bonds (distance) C4'-P energy: -10.345
bonds (distance) P-C4' energy: -12.368
flat angles C4'-P-C4' energy: -10.181
flat angles P-C4'-P energy: -6.152
tors. eta vs tors. theta energy: -4.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -64.996605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.996605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.996605 (E_RNA)
where:
Base-Base interactions energy: -25.185
where: short stacking energy: -19.584
Base-Backbone interact. energy: -0.242
local terms energy: -39.569963
where:
bonds (distance) C4'-P energy: -7.860
bonds (distance) P-C4' energy: -9.169
flat angles C4'-P-C4' energy: -9.837
flat angles P-C4'-P energy: -11.075
tors. eta vs tors. theta energy: -1.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -57.778441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.778441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.778441 (E_RNA)
where:
Base-Base interactions energy: -13.545
where: short stacking energy: -13.545
Base-Backbone interact. energy: -0.494
local terms energy: -43.739406
where:
bonds (distance) C4'-P energy: -10.680
bonds (distance) P-C4' energy: -14.371
flat angles C4'-P-C4' energy: -8.224
flat angles P-C4'-P energy: -9.148
tors. eta vs tors. theta energy: -1.316
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: 9
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -184.722389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.722389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.722389 (E_RNA)
where:
Base-Base interactions energy: -127.414
where: short stacking energy: -45.236
Base-Backbone interact. energy: -0.147
local terms energy: -57.161648
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -13.349
flat angles C4'-P-C4' energy: -9.699
flat angles P-C4'-P energy: -6.809
tors. eta vs tors. theta energy: -13.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -177.914892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.914892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.914892 (E_RNA)
where:
Base-Base interactions energy: -117.318
where: short stacking energy: -51.935
Base-Backbone interact. energy: -0.009
local terms energy: -60.587366
where:
bonds (distance) C4'-P energy: -10.336
bonds (distance) P-C4' energy: -10.533
flat angles C4'-P-C4' energy: -13.244
flat angles P-C4'-P energy: -8.348
tors. eta vs tors. theta energy: -18.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -178.238375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.238375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.238375 (E_RNA)
where:
Base-Base interactions energy: -110.495
where: short stacking energy: -44.381
Base-Backbone interact. energy: -0.001
local terms energy: -67.742362
where:
bonds (distance) C4'-P energy: -13.273
bonds (distance) P-C4' energy: -13.638
flat angles C4'-P-C4' energy: -13.276
flat angles P-C4'-P energy: -11.026
tors. eta vs tors. theta energy: -16.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -175.261266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.261266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.261266 (E_RNA)
where:
Base-Base interactions energy: -113.627
where: short stacking energy: -43.423
Base-Backbone interact. energy: -0.218
local terms energy: -61.416296
where:
bonds (distance) C4'-P energy: -11.259
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -10.451
flat angles P-C4'-P energy: -11.157
tors. eta vs tors. theta energy: -15.052
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: 6
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -131.615591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.615591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.615591 (E_RNA)
where:
Base-Base interactions energy: -77.167
where: short stacking energy: -30.867
Base-Backbone interact. energy: -0.281
local terms energy: -54.168346
where:
bonds (distance) C4'-P energy: -12.606
bonds (distance) P-C4' energy: -10.184
flat angles C4'-P-C4' energy: -10.784
flat angles P-C4'-P energy: -8.996
tors. eta vs tors. theta energy: -11.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -161.932108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.932108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.932108 (E_RNA)
where:
Base-Base interactions energy: -108.844
where: short stacking energy: -40.568
Base-Backbone interact. energy: -0.077
local terms energy: -53.011220
where:
bonds (distance) C4'-P energy: -11.844
bonds (distance) P-C4' energy: -10.542
flat angles C4'-P-C4' energy: -11.978
flat angles P-C4'-P energy: -4.363
tors. eta vs tors. theta energy: -14.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -63.101284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.101284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.101284 (E_RNA)
where:
Base-Base interactions energy: -20.575
where: short stacking energy: -20.575
Base-Backbone interact. energy: -0.058
local terms energy: -42.468388
where:
bonds (distance) C4'-P energy: -11.943
bonds (distance) P-C4' energy: -11.501
flat angles C4'-P-C4' energy: -6.012
flat angles P-C4'-P energy: -8.543
tors. eta vs tors. theta energy: -4.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -57.371076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.371076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.371076 (E_RNA)
where:
Base-Base interactions energy: -16.961
where: short stacking energy: -16.961
Base-Backbone interact. energy: -0.105
local terms energy: -40.304927
where:
bonds (distance) C4'-P energy: -9.012
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -11.576
flat angles P-C4'-P energy: -3.570
tors. eta vs tors. theta energy: -2.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -60.492843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.492843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.492843 (E_RNA)
where:
Base-Base interactions energy: -22.373
where: short stacking energy: -22.373
Base-Backbone interact. energy: -0.032
local terms energy: -38.087840
where:
bonds (distance) C4'-P energy: -10.929
bonds (distance) P-C4' energy: -5.643
flat angles C4'-P-C4' energy: -12.077
flat angles P-C4'-P energy: -4.890
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: 10, replica: 4
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -63.521510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.521510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.521510 (E_RNA)
where:
Base-Base interactions energy: -23.555
where: short stacking energy: -8.688
Base-Backbone interact. energy: -0.933
local terms energy: -39.033381
where:
bonds (distance) C4'-P energy: -13.213
bonds (distance) P-C4' energy: -11.101
flat angles C4'-P-C4' energy: -10.607
flat angles P-C4'-P energy: -5.255
tors. eta vs tors. theta energy: 1.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -181.674892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.674892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.674892 (E_RNA)
where:
Base-Base interactions energy: -120.481
where: short stacking energy: -45.272
Base-Backbone interact. energy: -0.054
local terms energy: -61.140234
where:
bonds (distance) C4'-P energy: -11.760
bonds (distance) P-C4' energy: -13.404
flat angles C4'-P-C4' energy: -12.628
flat angles P-C4'-P energy: -7.754
tors. eta vs tors. theta energy: -15.594
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: 2, replica: 1
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -174.052653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.052653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.052653 (E_RNA)
where:
Base-Base interactions energy: -109.006
where: short stacking energy: -40.454
Base-Backbone interact. energy: -0.001
local terms energy: -65.045565
where:
bonds (distance) C4'-P energy: -14.687
bonds (distance) P-C4' energy: -13.637
flat angles C4'-P-C4' energy: -13.338
flat angles P-C4'-P energy: -8.109
tors. eta vs tors. theta energy: -15.274
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: 3
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -178.427102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.427102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.427102 (E_RNA)
where:
Base-Base interactions energy: -121.992
where: short stacking energy: -47.979
Base-Backbone interact. energy: 1.424
local terms energy: -57.858777
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -11.526
flat angles C4'-P-C4' energy: -10.774
flat angles P-C4'-P energy: -8.443
tors. eta vs tors. theta energy: -13.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -166.373541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.373541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.373541 (E_RNA)
where:
Base-Base interactions energy: -108.145
where: short stacking energy: -47.247
Base-Backbone interact. energy: -0.069
local terms energy: -58.159911
where:
bonds (distance) C4'-P energy: -12.493
bonds (distance) P-C4' energy: -7.263
flat angles C4'-P-C4' energy: -13.145
flat angles P-C4'-P energy: -9.119
tors. eta vs tors. theta energy: -16.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -168.418525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.418525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.418525 (E_RNA)
where:
Base-Base interactions energy: -111.547
where: short stacking energy: -42.604
Base-Backbone interact. energy: 1.247
local terms energy: -58.119312
where:
bonds (distance) C4'-P energy: -11.719
bonds (distance) P-C4' energy: -13.751
flat angles C4'-P-C4' energy: -12.530
flat angles P-C4'-P energy: -6.445
tors. eta vs tors. theta energy: -13.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -129.318535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.318535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.318535 (E_RNA)
where:
Base-Base interactions energy: -80.221
where: short stacking energy: -31.129
Base-Backbone interact. energy: -0.661
local terms energy: -48.436169
where:
bonds (distance) C4'-P energy: -8.283
bonds (distance) P-C4' energy: -12.853
flat angles C4'-P-C4' energy: -9.949
flat angles P-C4'-P energy: -5.824
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: 7, replica: 2
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -65.786503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.786503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.786503 (E_RNA)
where:
Base-Base interactions energy: -23.366
where: short stacking energy: -17.962
Base-Backbone interact. energy: -0.901
local terms energy: -41.519457
where:
bonds (distance) C4'-P energy: -10.692
bonds (distance) P-C4' energy: -12.241
flat angles C4'-P-C4' energy: -8.799
flat angles P-C4'-P energy: -6.534
tors. eta vs tors. theta energy: -3.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -66.056119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.056119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.056119 (E_RNA)
where:
Base-Base interactions energy: -22.030
where: short stacking energy: -22.030
Base-Backbone interact. energy: -0.010
local terms energy: -44.016553
where:
bonds (distance) C4'-P energy: -11.836
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -6.705
flat angles P-C4'-P energy: -2.873
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: 9, replica: 8
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -64.279769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.279769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.279769 (E_RNA)
where:
Base-Base interactions energy: -20.289
where: short stacking energy: -15.559
Base-Backbone interact. energy: -0.061
local terms energy: -43.930280
where:
bonds (distance) C4'-P energy: -11.872
bonds (distance) P-C4' energy: -11.532
flat angles C4'-P-C4' energy: -13.963
flat angles P-C4'-P energy: -4.528
tors. eta vs tors. theta energy: -2.035
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: 4
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -58.718675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.718675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.718675 (E_RNA)
where:
Base-Base interactions energy: -16.983
where: short stacking energy: -12.765
Base-Backbone interact. energy: -0.013
local terms energy: -41.723155
where:
bonds (distance) C4'-P energy: -12.162
bonds (distance) P-C4' energy: -10.703
flat angles C4'-P-C4' energy: -10.792
flat angles P-C4'-P energy: -4.873
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: 1, replica: 1
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -179.262429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.262429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.262429 (E_RNA)
where:
Base-Base interactions energy: -118.220
where: short stacking energy: -46.551
Base-Backbone interact. energy: -0.004
local terms energy: -61.038013
where:
bonds (distance) C4'-P energy: -11.681
bonds (distance) P-C4' energy: -11.583
flat angles C4'-P-C4' energy: -14.309
flat angles P-C4'-P energy: -7.210
tors. eta vs tors. theta energy: -16.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -179.297491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.297491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.297491 (E_RNA)
where:
Base-Base interactions energy: -119.537
where: short stacking energy: -49.959
Base-Backbone interact. energy: -0.001
local terms energy: -59.759894
where:
bonds (distance) C4'-P energy: -11.012
bonds (distance) P-C4' energy: -10.782
flat angles C4'-P-C4' energy: -13.537
flat angles P-C4'-P energy: -8.222
tors. eta vs tors. theta energy: -16.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -176.387254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.387254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.387254 (E_RNA)
where:
Base-Base interactions energy: -118.134
where: short stacking energy: -37.360
Base-Backbone interact. energy: -0.113
local terms energy: -58.139963
where:
bonds (distance) C4'-P energy: -9.256
bonds (distance) P-C4' energy: -15.118
flat angles C4'-P-C4' energy: -13.753
flat angles P-C4'-P energy: -7.570
tors. eta vs tors. theta energy: -12.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -173.129731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.129731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.129731 (E_RNA)
where:
Base-Base interactions energy: -112.128
where: short stacking energy: -40.026
Base-Backbone interact. energy: 0.553
local terms energy: -61.553962
where:
bonds (distance) C4'-P energy: -12.857
bonds (distance) P-C4' energy: -11.471
flat angles C4'-P-C4' energy: -13.004
flat angles P-C4'-P energy: -10.859
tors. eta vs tors. theta energy: -13.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -164.734413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.734413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.734413 (E_RNA)
where:
Base-Base interactions energy: -106.933
where: short stacking energy: -42.358
Base-Backbone interact. energy: -0.077
local terms energy: -57.724618
where:
bonds (distance) C4'-P energy: -9.660
bonds (distance) P-C4' energy: -12.866
flat angles C4'-P-C4' energy: -10.615
flat angles P-C4'-P energy: -8.689
tors. eta vs tors. theta energy: -15.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -158.230969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.230969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.230969 (E_RNA)
where:
Base-Base interactions energy: -100.342
where: short stacking energy: -37.452
Base-Backbone interact. energy: -0.025
local terms energy: -57.863841
where:
bonds (distance) C4'-P energy: -9.956
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -11.977
flat angles P-C4'-P energy: -8.033
tors. eta vs tors. theta energy: -12.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -66.078992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.078992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.078992 (E_RNA)
where:
Base-Base interactions energy: -29.527
where: short stacking energy: -15.207
Base-Backbone interact. energy: -0.261
local terms energy: -36.290563
where:
bonds (distance) C4'-P energy: -10.374
bonds (distance) P-C4' energy: -12.127
flat angles C4'-P-C4' energy: -7.294
flat angles P-C4'-P energy: -4.450
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: 8, replica: 2
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -63.098969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.098969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.098969 (E_RNA)
where:
Base-Base interactions energy: -29.053
where: short stacking energy: -20.328
Base-Backbone interact. energy: 0.213
local terms energy: -34.259135
where:
bonds (distance) C4'-P energy: -5.701
bonds (distance) P-C4' energy: -11.754
flat angles C4'-P-C4' energy: -10.507
flat angles P-C4'-P energy: -4.753
tors. eta vs tors. theta energy: -1.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -59.149082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.149082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.149082 (E_RNA)
where:
Base-Base interactions energy: -21.683
where: short stacking energy: -18.835
Base-Backbone interact. energy: 0.924
local terms energy: -38.390346
where:
bonds (distance) C4'-P energy: -10.742
bonds (distance) P-C4' energy: -11.388
flat angles C4'-P-C4' energy: -8.539
flat angles P-C4'-P energy: -7.648
tors. eta vs tors. theta energy: -0.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -61.516071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.516071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.516071 (E_RNA)
where:
Base-Base interactions energy: -17.849
where: short stacking energy: -14.303
Base-Backbone interact. energy: -0.127
local terms energy: -43.539927
where:
bonds (distance) C4'-P energy: -13.266
bonds (distance) P-C4' energy: -14.006
flat angles C4'-P-C4' energy: -3.104
flat angles P-C4'-P energy: -9.426
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: 1
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -175.600695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.600695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.600695 (E_RNA)
where:
Base-Base interactions energy: -113.220
where: short stacking energy: -43.632
Base-Backbone interact. energy: -0.013
local terms energy: -62.367745
where:
bonds (distance) C4'-P energy: -12.378
bonds (distance) P-C4' energy: -12.221
flat angles C4'-P-C4' energy: -12.128
flat angles P-C4'-P energy: -9.756
tors. eta vs tors. theta energy: -15.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -178.366996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.366996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.366996 (E_RNA)
where:
Base-Base interactions energy: -115.521
where: short stacking energy: -47.366
Base-Backbone interact. energy: -0.015
local terms energy: -62.831492
where:
bonds (distance) C4'-P energy: -11.251
bonds (distance) P-C4' energy: -13.873
flat angles C4'-P-C4' energy: -11.994
flat angles P-C4'-P energy: -8.206
tors. eta vs tors. theta energy: -17.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -179.493495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.493495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.493495 (E_RNA)
where:
Base-Base interactions energy: -113.904
where: short stacking energy: -41.314
Base-Backbone interact. energy: -0.098
local terms energy: -65.490881
where:
bonds (distance) C4'-P energy: -11.757
bonds (distance) P-C4' energy: -13.705
flat angles C4'-P-C4' energy: -13.361
flat angles P-C4'-P energy: -10.855
tors. eta vs tors. theta energy: -15.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -176.017423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.017423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.017423 (E_RNA)
where:
Base-Base interactions energy: -115.016
where: short stacking energy: -43.269
Base-Backbone interact. energy: -0.844
local terms energy: -60.158146
where:
bonds (distance) C4'-P energy: -11.834
bonds (distance) P-C4' energy: -11.067
flat angles C4'-P-C4' energy: -9.728
flat angles P-C4'-P energy: -9.922
tors. eta vs tors. theta energy: -17.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -160.064527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.064527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.064527 (E_RNA)
where:
Base-Base interactions energy: -100.052
where: short stacking energy: -40.753
Base-Backbone interact. energy: -0.096
local terms energy: -59.916605
where:
bonds (distance) C4'-P energy: -14.857
bonds (distance) P-C4' energy: -9.751
flat angles C4'-P-C4' energy: -13.427
flat angles P-C4'-P energy: -9.710
tors. eta vs tors. theta energy: -12.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -161.658644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.658644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.658644 (E_RNA)
where:
Base-Base interactions energy: -108.297
where: short stacking energy: -43.393
Base-Backbone interact. energy: -0.042
local terms energy: -53.319446
where:
bonds (distance) C4'-P energy: -8.237
bonds (distance) P-C4' energy: -9.012
flat angles C4'-P-C4' energy: -13.181
flat angles P-C4'-P energy: -6.439
tors. eta vs tors. theta energy: -16.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -70.994721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.994721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.994721 (E_RNA)
where:
Base-Base interactions energy: -20.266
where: short stacking energy: -17.684
Base-Backbone interact. energy: -0.040
local terms energy: -50.688672
where:
bonds (distance) C4'-P energy: -13.309
bonds (distance) P-C4' energy: -11.988
flat angles C4'-P-C4' energy: -12.215
flat angles P-C4'-P energy: -8.039
tors. eta vs tors. theta energy: -5.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -68.042068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.042068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.042068 (E_RNA)
where:
Base-Base interactions energy: -23.779
where: short stacking energy: -22.874
Base-Backbone interact. energy: -0.115
local terms energy: -44.147803
where:
bonds (distance) C4'-P energy: -10.030
bonds (distance) P-C4' energy: -11.547
flat angles C4'-P-C4' energy: -9.744
flat angles P-C4'-P energy: -7.426
tors. eta vs tors. theta energy: -5.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -72.462843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.462843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.462843 (E_RNA)
where:
Base-Base interactions energy: -35.588
where: short stacking energy: -13.244
Base-Backbone interact. energy: -0.084
local terms energy: -36.790397
where:
bonds (distance) C4'-P energy: -11.772
bonds (distance) P-C4' energy: -6.781
flat angles C4'-P-C4' energy: -8.847
flat angles P-C4'-P energy: -8.254
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: 157
Temperature: 1.350000
Total energy: -68.045816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.045816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.045816 (E_RNA)
where:
Base-Base interactions energy: -33.721
where: short stacking energy: -26.732
Base-Backbone interact. energy: -0.037
local terms energy: -34.287168
where:
bonds (distance) C4'-P energy: -8.514
bonds (distance) P-C4' energy: -11.944
flat angles C4'-P-C4' energy: -9.546
flat angles P-C4'-P energy: -2.718
tors. eta vs tors. theta energy: -1.565
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: 1
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -184.975348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.975348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.975348 (E_RNA)
where:
Base-Base interactions energy: -128.373
where: short stacking energy: -43.709
Base-Backbone interact. energy: -0.059
local terms energy: -56.543417
where:
bonds (distance) C4'-P energy: -10.181
bonds (distance) P-C4' energy: -9.236
flat angles C4'-P-C4' energy: -10.445
flat angles P-C4'-P energy: -9.702
tors. eta vs tors. theta energy: -16.981
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: 9
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -179.606733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.606733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.606733 (E_RNA)
where:
Base-Base interactions energy: -113.243
where: short stacking energy: -47.571
Base-Backbone interact. energy: -0.444
local terms energy: -65.919634
where:
bonds (distance) C4'-P energy: -13.984
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -11.571
flat angles P-C4'-P energy: -9.364
tors. eta vs tors. theta energy: -16.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -174.899677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.899677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.899677 (E_RNA)
where:
Base-Base interactions energy: -107.385
where: short stacking energy: -44.698
Base-Backbone interact. energy: -0.808
local terms energy: -66.706263
where:
bonds (distance) C4'-P energy: -12.552
bonds (distance) P-C4' energy: -13.991
flat angles C4'-P-C4' energy: -11.443
flat angles P-C4'-P energy: -10.542
tors. eta vs tors. theta energy: -18.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -166.431830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.431830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.431830 (E_RNA)
where:
Base-Base interactions energy: -108.042
where: short stacking energy: -38.834
Base-Backbone interact. energy: -0.223
local terms energy: -58.166177
where:
bonds (distance) C4'-P energy: -11.624
bonds (distance) P-C4' energy: -10.960
flat angles C4'-P-C4' energy: -12.665
flat angles P-C4'-P energy: -7.924
tors. eta vs tors. theta energy: -14.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -167.325789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.325789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.325789 (E_RNA)
where:
Base-Base interactions energy: -106.379
where: short stacking energy: -38.125
Base-Backbone interact. energy: -0.153
local terms energy: -60.793814
where:
bonds (distance) C4'-P energy: -13.938
bonds (distance) P-C4' energy: -9.767
flat angles C4'-P-C4' energy: -11.451
flat angles P-C4'-P energy: -10.986
tors. eta vs tors. theta energy: -14.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -171.374143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.374143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.374143 (E_RNA)
where:
Base-Base interactions energy: -108.607
where: short stacking energy: -46.977
Base-Backbone interact. energy: -0.005
local terms energy: -62.761639
where:
bonds (distance) C4'-P energy: -12.017
bonds (distance) P-C4' energy: -13.534
flat angles C4'-P-C4' energy: -11.222
flat angles P-C4'-P energy: -10.078
tors. eta vs tors. theta energy: -15.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -76.299535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.299535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.299535 (E_RNA)
where:
Base-Base interactions energy: -35.038
where: short stacking energy: -10.889
Base-Backbone interact. energy: -0.588
local terms energy: -40.674354
where:
bonds (distance) C4'-P energy: -8.572
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -11.634
flat angles P-C4'-P energy: -10.293
tors. eta vs tors. theta energy: 3.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -67.676759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.676759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.676759 (E_RNA)
where:
Base-Base interactions energy: -22.794
where: short stacking energy: -15.897
Base-Backbone interact. energy: -0.014
local terms energy: -44.868273
where:
bonds (distance) C4'-P energy: -12.153
bonds (distance) P-C4' energy: -12.582
flat angles C4'-P-C4' energy: -9.667
flat angles P-C4'-P energy: -7.577
tors. eta vs tors. theta energy: -2.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -59.187917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.187917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.187917 (E_RNA)
where:
Base-Base interactions energy: -14.693
where: short stacking energy: -14.893
Base-Backbone interact. energy: 1.179
local terms energy: -45.673562
where:
bonds (distance) C4'-P energy: -14.029
bonds (distance) P-C4' energy: -14.254
flat angles C4'-P-C4' energy: -6.736
flat angles P-C4'-P energy: -9.955
tors. eta vs tors. theta energy: -0.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -61.652249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.652249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.652249 (E_RNA)
where:
Base-Base interactions energy: -18.507
where: short stacking energy: -14.477
Base-Backbone interact. energy: 0.461
local terms energy: -43.606430
where:
bonds (distance) C4'-P energy: -12.485
bonds (distance) P-C4' energy: -12.865
flat angles C4'-P-C4' energy: -10.936
flat angles P-C4'-P energy: -4.909
tors. eta vs tors. theta energy: -2.412
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: 1
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -178.870698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.870698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.870698 (E_RNA)
where:
Base-Base interactions energy: -112.993
where: short stacking energy: -43.573
Base-Backbone interact. energy: -0.057
local terms energy: -65.819892
where:
bonds (distance) C4'-P energy: -13.325
bonds (distance) P-C4' energy: -13.405
flat angles C4'-P-C4' energy: -12.609
flat angles P-C4'-P energy: -10.656
tors. eta vs tors. theta energy: -15.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -181.644158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.644158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.644158 (E_RNA)
where:
Base-Base interactions energy: -114.245
where: short stacking energy: -45.342
Base-Backbone interact. energy: -0.002
local terms energy: -67.396614
where:
bonds (distance) C4'-P energy: -10.614
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -13.768
flat angles P-C4'-P energy: -11.927
tors. eta vs tors. theta energy: -16.696
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: 159
Temperature: 1.000000
Total energy: -177.306503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.306503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.306503 (E_RNA)
where:
Base-Base interactions energy: -117.249
where: short stacking energy: -48.485
Base-Backbone interact. energy: -0.029
local terms energy: -60.027612
where:
bonds (distance) C4'-P energy: -11.691
bonds (distance) P-C4' energy: -11.884
flat angles C4'-P-C4' energy: -11.990
flat angles P-C4'-P energy: -8.661
tors. eta vs tors. theta energy: -15.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -177.993340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.993340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.993340 (E_RNA)
where:
Base-Base interactions energy: -113.449
where: short stacking energy: -44.664
Base-Backbone interact. energy: -1.028
local terms energy: -63.515956
where:
bonds (distance) C4'-P energy: -11.019
bonds (distance) P-C4' energy: -12.659
flat angles C4'-P-C4' energy: -12.123
flat angles P-C4'-P energy: -12.032
tors. eta vs tors. theta energy: -15.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -162.921716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.921716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.921716 (E_RNA)
where:
Base-Base interactions energy: -97.822
where: short stacking energy: -35.459
Base-Backbone interact. energy: -0.594
local terms energy: -64.505642
where:
bonds (distance) C4'-P energy: -11.517
bonds (distance) P-C4' energy: -14.227
flat angles C4'-P-C4' energy: -12.985
flat angles P-C4'-P energy: -11.407
tors. eta vs tors. theta energy: -14.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -116.555653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.555653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.555653 (E_RNA)
where:
Base-Base interactions energy: -69.523
where: short stacking energy: -27.672
Base-Backbone interact. energy: -0.754
local terms energy: -46.277959
where:
bonds (distance) C4'-P energy: -11.623
bonds (distance) P-C4' energy: -12.638
flat angles C4'-P-C4' energy: -7.591
flat angles P-C4'-P energy: -7.457
tors. eta vs tors. theta energy: -6.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -66.228225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.228225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.228225 (E_RNA)
where:
Base-Base interactions energy: -19.411
where: short stacking energy: -19.411
Base-Backbone interact. energy: -0.073
local terms energy: -46.743834
where:
bonds (distance) C4'-P energy: -10.907
bonds (distance) P-C4' energy: -13.158
flat angles C4'-P-C4' energy: -8.032
flat angles P-C4'-P energy: -7.536
tors. eta vs tors. theta energy: -7.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -67.823415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.823415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.823415 (E_RNA)
where:
Base-Base interactions energy: -32.264
where: short stacking energy: -17.709
Base-Backbone interact. energy: -0.993
local terms energy: -34.566338
where:
bonds (distance) C4'-P energy: -8.400
bonds (distance) P-C4' energy: -7.446
flat angles C4'-P-C4' energy: -9.367
flat angles P-C4'-P energy: -2.712
tors. eta vs tors. theta energy: -6.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -63.328330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.328330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.328330 (E_RNA)
where:
Base-Base interactions energy: -26.256
where: short stacking energy: -12.146
Base-Backbone interact. energy: -0.223
local terms energy: -36.849673
where:
bonds (distance) C4'-P energy: -11.569
bonds (distance) P-C4' energy: -10.305
flat angles C4'-P-C4' energy: -9.017
flat angles P-C4'-P energy: -4.295
tors. eta vs tors. theta energy: -1.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -64.423789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.423789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.423789 (E_RNA)
where:
Base-Base interactions energy: -19.110
where: short stacking energy: -10.590
Base-Backbone interact. energy: -1.860
local terms energy: -43.454525
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -11.334
flat angles C4'-P-C4' energy: -12.909
flat angles P-C4'-P energy: -6.780
tors. eta vs tors. theta energy: 2.301
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: 160
Temperature: 0.900000
Total energy: -181.387611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.387611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.387611 (E_RNA)
where:
Base-Base interactions energy: -122.885
where: short stacking energy: -52.707
Base-Backbone interact. energy: 1.490
local terms energy: -59.992385
where:
bonds (distance) C4'-P energy: -13.496
bonds (distance) P-C4' energy: -11.380
flat angles C4'-P-C4' energy: -13.012
flat angles P-C4'-P energy: -7.074
tors. eta vs tors. theta energy: -15.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -178.256063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.256063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.256063 (E_RNA)
where:
Base-Base interactions energy: -115.371
where: short stacking energy: -38.755
Base-Backbone interact. energy: -0.613
local terms energy: -62.272615
where:
bonds (distance) C4'-P energy: -11.019
bonds (distance) P-C4' energy: -10.905
flat angles C4'-P-C4' energy: -13.676
flat angles P-C4'-P energy: -9.771
tors. eta vs tors. theta energy: -16.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -183.116372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.116372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.116372 (E_RNA)
where:
Base-Base interactions energy: -119.671
where: short stacking energy: -49.734
Base-Backbone interact. energy: -0.009
local terms energy: -63.436427
where:
bonds (distance) C4'-P energy: -11.955
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -11.202
flat angles P-C4'-P energy: -8.757
tors. eta vs tors. theta energy: -18.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -177.307219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.307219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.307219 (E_RNA)
where:
Base-Base interactions energy: -118.499
where: short stacking energy: -48.606
Base-Backbone interact. energy: -0.655
local terms energy: -58.154081
where:
bonds (distance) C4'-P energy: -10.505
bonds (distance) P-C4' energy: -8.460
flat angles C4'-P-C4' energy: -11.951
flat angles P-C4'-P energy: -9.600
tors. eta vs tors. theta energy: -17.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -143.945379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.945379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.945379 (E_RNA)
where:
Base-Base interactions energy: -89.098
where: short stacking energy: -40.688
Base-Backbone interact. energy: -0.001
local terms energy: -54.846764
where:
bonds (distance) C4'-P energy: -11.322
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -12.814
flat angles P-C4'-P energy: -4.413
tors. eta vs tors. theta energy: -11.856
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: 5
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -115.877160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.877160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.877160 (E_RNA)
where:
Base-Base interactions energy: -64.816
where: short stacking energy: -25.036
Base-Backbone interact. energy: -0.126
local terms energy: -50.934864
where:
bonds (distance) C4'-P energy: -10.078
bonds (distance) P-C4' energy: -12.004
flat angles C4'-P-C4' energy: -10.894
flat angles P-C4'-P energy: -6.981
tors. eta vs tors. theta energy: -10.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -66.391568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.391568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.391568 (E_RNA)
where:
Base-Base interactions energy: -19.924
where: short stacking energy: -18.046
Base-Backbone interact. energy: -0.008
local terms energy: -46.460270
where:
bonds (distance) C4'-P energy: -11.178
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -9.323
flat angles P-C4'-P energy: -7.693
tors. eta vs tors. theta energy: -4.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -77.402278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.402278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.402278 (E_RNA)
where:
Base-Base interactions energy: -25.512
where: short stacking energy: -16.653
Base-Backbone interact. energy: -0.040
local terms energy: -51.850644
where:
bonds (distance) C4'-P energy: -12.050
bonds (distance) P-C4' energy: -8.878
flat angles C4'-P-C4' energy: -11.376
flat angles P-C4'-P energy: -7.216
tors. eta vs tors. theta energy: -12.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -56.320762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.320762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.320762 (E_RNA)
where:
Base-Base interactions energy: -17.058
where: short stacking energy: -9.870
Base-Backbone interact. energy: -0.121
local terms energy: -39.142439
where:
bonds (distance) C4'-P energy: -11.139
bonds (distance) P-C4' energy: -15.376
flat angles C4'-P-C4' energy: -12.150
flat angles P-C4'-P energy: -1.296
tors. eta vs tors. theta energy: 0.819
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: 10
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -58.147444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.147444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.147444 (E_RNA)
where:
Base-Base interactions energy: -21.070
where: short stacking energy: -21.061
Base-Backbone interact. energy: -0.356
local terms energy: -36.721442
where:
bonds (distance) C4'-P energy: -9.091
bonds (distance) P-C4' energy: -12.023
flat angles C4'-P-C4' energy: -9.693
flat angles P-C4'-P energy: -6.853
tors. eta vs tors. theta energy: 0.937
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: 161
Temperature: 0.900000
Total energy: -177.213834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.213834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.213834 (E_RNA)
where:
Base-Base interactions energy: -118.577
where: short stacking energy: -46.357
Base-Backbone interact. energy: 1.269
local terms energy: -59.905609
where:
bonds (distance) C4'-P energy: -10.771
bonds (distance) P-C4' energy: -13.778
flat angles C4'-P-C4' energy: -13.512
flat angles P-C4'-P energy: -6.314
tors. eta vs tors. theta energy: -15.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -175.949458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.949458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.949458 (E_RNA)
where:
Base-Base interactions energy: -111.662
where: short stacking energy: -46.029
Base-Backbone interact. energy: -0.015
local terms energy: -64.271919
where:
bonds (distance) C4'-P energy: -13.764
bonds (distance) P-C4' energy: -13.085
flat angles C4'-P-C4' energy: -11.367
flat angles P-C4'-P energy: -10.178
tors. eta vs tors. theta energy: -15.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -174.231419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.231419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.231419 (E_RNA)
where:
Base-Base interactions energy: -115.406
where: short stacking energy: -43.617
Base-Backbone interact. energy: -0.484
local terms energy: -58.341575
where:
bonds (distance) C4'-P energy: -13.264
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -12.956
flat angles P-C4'-P energy: -4.161
tors. eta vs tors. theta energy: -15.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -174.279361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.279361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.279361 (E_RNA)
where:
Base-Base interactions energy: -115.900
where: short stacking energy: -44.899
Base-Backbone interact. energy: -0.001
local terms energy: -58.379031
where:
bonds (distance) C4'-P energy: -12.742
bonds (distance) P-C4' energy: -12.183
flat angles C4'-P-C4' energy: -9.408
flat angles P-C4'-P energy: -9.414
tors. eta vs tors. theta energy: -14.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -169.060313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.060313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.060313 (E_RNA)
where:
Base-Base interactions energy: -118.571
where: short stacking energy: -37.631
Base-Backbone interact. energy: 0.521
local terms energy: -51.010506
where:
bonds (distance) C4'-P energy: -11.567
bonds (distance) P-C4' energy: -8.764
flat angles C4'-P-C4' energy: -10.413
flat angles P-C4'-P energy: -6.511
tors. eta vs tors. theta energy: -13.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -96.912175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.912175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.912175 (E_RNA)
where:
Base-Base interactions energy: -53.069
where: short stacking energy: -24.053
Base-Backbone interact. energy: -0.102
local terms energy: -43.741365
where:
bonds (distance) C4'-P energy: -7.881
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -11.356
flat angles P-C4'-P energy: -7.346
tors. eta vs tors. theta energy: -3.023
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: 7, replica: 5
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -100.624957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.624957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.624957 (E_RNA)
where:
Base-Base interactions energy: -57.199
where: short stacking energy: -23.379
Base-Backbone interact. energy: -1.595
local terms energy: -41.830478
where:
bonds (distance) C4'-P energy: -12.492
bonds (distance) P-C4' energy: -10.803
flat angles C4'-P-C4' energy: -6.614
flat angles P-C4'-P energy: -7.155
tors. eta vs tors. theta energy: -4.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -77.569870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.569870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.569870 (E_RNA)
where:
Base-Base interactions energy: -39.800
where: short stacking energy: -23.440
Base-Backbone interact. energy: -0.224
local terms energy: -37.546780
where:
bonds (distance) C4'-P energy: -7.066
bonds (distance) P-C4' energy: -10.373
flat angles C4'-P-C4' energy: -11.070
flat angles P-C4'-P energy: -6.557
tors. eta vs tors. theta energy: -2.482
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: 161
Temperature: 1.300000
Total energy: -60.124937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.124937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.124937 (E_RNA)
where:
Base-Base interactions energy: -21.159
where: short stacking energy: -20.134
Base-Backbone interact. energy: -0.094
local terms energy: -38.872227
where:
bonds (distance) C4'-P energy: -11.065
bonds (distance) P-C4' energy: -10.919
flat angles C4'-P-C4' energy: -8.839
flat angles P-C4'-P energy: -4.479
tors. eta vs tors. theta energy: -3.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -62.235838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.235838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.235838 (E_RNA)
where:
Base-Base interactions energy: -26.275
where: short stacking energy: -17.037
Base-Backbone interact. energy: -0.139
local terms energy: -35.822520
where:
bonds (distance) C4'-P energy: -6.758
bonds (distance) P-C4' energy: -13.082
flat angles C4'-P-C4' energy: -6.786
flat angles P-C4'-P energy: -9.338
tors. eta vs tors. theta energy: 0.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -175.413627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.413627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.413627 (E_RNA)
where:
Base-Base interactions energy: -108.906
where: short stacking energy: -44.972
Base-Backbone interact. energy: -0.001
local terms energy: -66.506089
where:
bonds (distance) C4'-P energy: -13.425
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -12.919
flat angles P-C4'-P energy: -9.246
tors. eta vs tors. theta energy: -16.761
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: 2, replica: 7
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -177.727684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.727684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.727684 (E_RNA)
where:
Base-Base interactions energy: -115.916
where: short stacking energy: -47.795
Base-Backbone interact. energy: -0.501
local terms energy: -61.310316
where:
bonds (distance) C4'-P energy: -10.503
bonds (distance) P-C4' energy: -11.166
flat angles C4'-P-C4' energy: -14.753
flat angles P-C4'-P energy: -8.168
tors. eta vs tors. theta energy: -16.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -173.511062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.511062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.511062 (E_RNA)
where:
Base-Base interactions energy: -111.873
where: short stacking energy: -44.177
Base-Backbone interact. energy: -0.642
local terms energy: -60.996366
where:
bonds (distance) C4'-P energy: -14.658
bonds (distance) P-C4' energy: -13.702
flat angles C4'-P-C4' energy: -11.987
flat angles P-C4'-P energy: -5.124
tors. eta vs tors. theta energy: -15.525
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: 3
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -171.990410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.990410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.990410 (E_RNA)
where:
Base-Base interactions energy: -111.699
where: short stacking energy: -45.683
Base-Backbone interact. energy: -0.196
local terms energy: -60.095437
where:
bonds (distance) C4'-P energy: -11.702
bonds (distance) P-C4' energy: -12.327
flat angles C4'-P-C4' energy: -11.868
flat angles P-C4'-P energy: -10.255
tors. eta vs tors. theta energy: -13.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -167.975317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.975317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.975317 (E_RNA)
where:
Base-Base interactions energy: -110.793
where: short stacking energy: -43.035
Base-Backbone interact. energy: -0.000
local terms energy: -57.182276
where:
bonds (distance) C4'-P energy: -7.932
bonds (distance) P-C4' energy: -9.785
flat angles C4'-P-C4' energy: -12.147
flat angles P-C4'-P energy: -11.607
tors. eta vs tors. theta energy: -15.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -79.796088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.796088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.796088 (E_RNA)
where:
Base-Base interactions energy: -38.846
where: short stacking energy: -27.949
Base-Backbone interact. energy: -0.069
local terms energy: -40.881098
where:
bonds (distance) C4'-P energy: -5.916
bonds (distance) P-C4' energy: -12.416
flat angles C4'-P-C4' energy: -8.377
flat angles P-C4'-P energy: -6.293
tors. eta vs tors. theta energy: -7.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -86.330581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.330581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.330581 (E_RNA)
where:
Base-Base interactions energy: -43.027
where: short stacking energy: -13.158
Base-Backbone interact. energy: -0.204
local terms energy: -43.099916
where:
bonds (distance) C4'-P energy: -14.456
bonds (distance) P-C4' energy: -9.855
flat angles C4'-P-C4' energy: -7.103
flat angles P-C4'-P energy: -8.779
tors. eta vs tors. theta energy: -2.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -73.600683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.600683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.600683 (E_RNA)
where:
Base-Base interactions energy: -31.867
where: short stacking energy: -12.185
Base-Backbone interact. energy: -0.221
local terms energy: -41.513015
where:
bonds (distance) C4'-P energy: -11.455
bonds (distance) P-C4' energy: -11.461
flat angles C4'-P-C4' energy: -9.554
flat angles P-C4'-P energy: -7.659
tors. eta vs tors. theta energy: -1.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -62.750499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.750499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.750499 (E_RNA)
where:
Base-Base interactions energy: -18.700
where: short stacking energy: -18.700
Base-Backbone interact. energy: 0.391
local terms energy: -44.442077
where:
bonds (distance) C4'-P energy: -10.594
bonds (distance) P-C4' energy: -10.809
flat angles C4'-P-C4' energy: -10.121
flat angles P-C4'-P energy: -9.737
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: 10, replica: 10
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -60.716030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.716030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.716030 (E_RNA)
where:
Base-Base interactions energy: -14.305
where: short stacking energy: -12.881
Base-Backbone interact. energy: -0.149
local terms energy: -46.262207
where:
bonds (distance) C4'-P energy: -11.997
bonds (distance) P-C4' energy: -13.607
flat angles C4'-P-C4' energy: -14.103
flat angles P-C4'-P energy: -7.734
tors. eta vs tors. theta energy: 1.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -182.178984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.178984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.178984 (E_RNA)
where:
Base-Base interactions energy: -116.910
where: short stacking energy: -44.057
Base-Backbone interact. energy: -0.096
local terms energy: -65.173365
where:
bonds (distance) C4'-P energy: -13.930
bonds (distance) P-C4' energy: -12.165
flat angles C4'-P-C4' energy: -11.527
flat angles P-C4'-P energy: -9.990
tors. eta vs tors. theta energy: -17.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -181.444843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.444843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.444843 (E_RNA)
where:
Base-Base interactions energy: -121.381
where: short stacking energy: -46.942
Base-Backbone interact. energy: -0.023
local terms energy: -60.040060
where:
bonds (distance) C4'-P energy: -10.643
bonds (distance) P-C4' energy: -14.618
flat angles C4'-P-C4' energy: -10.608
flat angles P-C4'-P energy: -7.483
tors. eta vs tors. theta energy: -16.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -176.874473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.874473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.874473 (E_RNA)
where:
Base-Base interactions energy: -118.146
where: short stacking energy: -48.042
Base-Backbone interact. energy: -0.069
local terms energy: -58.659545
where:
bonds (distance) C4'-P energy: -8.652
bonds (distance) P-C4' energy: -14.453
flat angles C4'-P-C4' energy: -13.674
flat angles P-C4'-P energy: -5.893
tors. eta vs tors. theta energy: -15.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -171.482579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.482579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.482579 (E_RNA)
where:
Base-Base interactions energy: -111.824
where: short stacking energy: -44.409
Base-Backbone interact. energy: -0.012
local terms energy: -59.646920
where:
bonds (distance) C4'-P energy: -10.335
bonds (distance) P-C4' energy: -11.764
flat angles C4'-P-C4' energy: -12.165
flat angles P-C4'-P energy: -8.942
tors. eta vs tors. theta energy: -16.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -166.415928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.415928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.415928 (E_RNA)
where:
Base-Base interactions energy: -110.407
where: short stacking energy: -41.863
Base-Backbone interact. energy: -0.087
local terms energy: -55.922817
where:
bonds (distance) C4'-P energy: -9.757
bonds (distance) P-C4' energy: -13.500
flat angles C4'-P-C4' energy: -9.892
flat angles P-C4'-P energy: -9.071
tors. eta vs tors. theta energy: -13.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -77.841850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.841850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.841850 (E_RNA)
where:
Base-Base interactions energy: -33.864
where: short stacking energy: -29.241
Base-Backbone interact. energy: -0.349
local terms energy: -43.627953
where:
bonds (distance) C4'-P energy: -12.009
bonds (distance) P-C4' energy: -8.139
flat angles C4'-P-C4' energy: -10.412
flat angles P-C4'-P energy: -3.056
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: 7, replica: 4
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -62.720005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.720005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.720005 (E_RNA)
where:
Base-Base interactions energy: -20.334
where: short stacking energy: -9.139
Base-Backbone interact. energy: -0.102
local terms energy: -42.283933
where:
bonds (distance) C4'-P energy: -12.432
bonds (distance) P-C4' energy: -12.681
flat angles C4'-P-C4' energy: -11.156
flat angles P-C4'-P energy: -6.451
tors. eta vs tors. theta energy: 0.436
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: 163
Temperature: 1.250000
Total energy: -66.196924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.196924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.196924 (E_RNA)
where:
Base-Base interactions energy: -24.788
where: short stacking energy: -15.684
Base-Backbone interact. energy: -0.145
local terms energy: -41.264190
where:
bonds (distance) C4'-P energy: -12.410
bonds (distance) P-C4' energy: -11.144
flat angles C4'-P-C4' energy: -7.859
flat angles P-C4'-P energy: -5.333
tors. eta vs tors. theta energy: -4.519
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: 5
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -73.311182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.311182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.311182 (E_RNA)
where:
Base-Base interactions energy: -28.179
where: short stacking energy: -19.419
Base-Backbone interact. energy: -0.105
local terms energy: -45.027714
where:
bonds (distance) C4'-P energy: -8.995
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -8.661
flat angles P-C4'-P energy: -6.029
tors. eta vs tors. theta energy: -6.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -55.392226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.392226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.392226 (E_RNA)
where:
Base-Base interactions energy: -14.047
where: short stacking energy: -14.047
Base-Backbone interact. energy: -0.125
local terms energy: -41.220133
where:
bonds (distance) C4'-P energy: -11.367
bonds (distance) P-C4' energy: -9.112
flat angles C4'-P-C4' energy: -12.977
flat angles P-C4'-P energy: -7.824
tors. eta vs tors. theta energy: 0.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -182.832063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.832063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.832063 (E_RNA)
where:
Base-Base interactions energy: -118.347
where: short stacking energy: -48.280
Base-Backbone interact. energy: -0.003
local terms energy: -64.481603
where:
bonds (distance) C4'-P energy: -9.881
bonds (distance) P-C4' energy: -14.356
flat angles C4'-P-C4' energy: -12.317
flat angles P-C4'-P energy: -9.330
tors. eta vs tors. theta energy: -18.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -178.585348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.585348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.585348 (E_RNA)
where:
Base-Base interactions energy: -116.294
where: short stacking energy: -43.112
Base-Backbone interact. energy: -0.380
local terms energy: -61.911401
where:
bonds (distance) C4'-P energy: -12.096
bonds (distance) P-C4' energy: -11.315
flat angles C4'-P-C4' energy: -12.951
flat angles P-C4'-P energy: -10.652
tors. eta vs tors. theta energy: -14.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -171.733422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.733422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.733422 (E_RNA)
where:
Base-Base interactions energy: -114.501
where: short stacking energy: -41.829
Base-Backbone interact. energy: -0.358
local terms energy: -56.874545
where:
bonds (distance) C4'-P energy: -7.889
bonds (distance) P-C4' energy: -11.081
flat angles C4'-P-C4' energy: -13.847
flat angles P-C4'-P energy: -8.777
tors. eta vs tors. theta energy: -15.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -175.740493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.740493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.740493 (E_RNA)
where:
Base-Base interactions energy: -116.786
where: short stacking energy: -40.378
Base-Backbone interact. energy: -0.086
local terms energy: -58.868651
where:
bonds (distance) C4'-P energy: -7.156
bonds (distance) P-C4' energy: -14.650
flat angles C4'-P-C4' energy: -11.609
flat angles P-C4'-P energy: -9.032
tors. eta vs tors. theta energy: -16.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -164.078751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.078751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.078751 (E_RNA)
where:
Base-Base interactions energy: -104.026
where: short stacking energy: -39.912
Base-Backbone interact. energy: 0.633
local terms energy: -60.685251
where:
bonds (distance) C4'-P energy: -7.960
bonds (distance) P-C4' energy: -14.911
flat angles C4'-P-C4' energy: -14.184
flat angles P-C4'-P energy: -6.346
tors. eta vs tors. theta energy: -17.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -95.963148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.963148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.963148 (E_RNA)
where:
Base-Base interactions energy: -52.777
where: short stacking energy: -18.920
Base-Backbone interact. energy: -1.129
local terms energy: -42.057565
where:
bonds (distance) C4'-P energy: -11.782
bonds (distance) P-C4' energy: -11.035
flat angles C4'-P-C4' energy: -12.176
flat angles P-C4'-P energy: -9.240
tors. eta vs tors. theta energy: 2.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -68.711709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.711709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.711709 (E_RNA)
where:
Base-Base interactions energy: -24.971
where: short stacking energy: -24.971
Base-Backbone interact. energy: 0.588
local terms energy: -44.329618
where:
bonds (distance) C4'-P energy: -10.221
bonds (distance) P-C4' energy: -12.892
flat angles C4'-P-C4' energy: -8.214
flat angles P-C4'-P energy: -7.766
tors. eta vs tors. theta energy: -5.237
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: 8, replica: 4
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -66.948887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.948887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.948887 (E_RNA)
where:
Base-Base interactions energy: -27.060
where: short stacking energy: -11.580
Base-Backbone interact. energy: -0.051
local terms energy: -39.837347
where:
bonds (distance) C4'-P energy: -12.891
bonds (distance) P-C4' energy: -12.864
flat angles C4'-P-C4' energy: -10.956
flat angles P-C4'-P energy: -3.531
tors. eta vs tors. theta energy: 0.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -65.382981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.382981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.382981 (E_RNA)
where:
Base-Base interactions energy: -23.137
where: short stacking energy: -16.894
Base-Backbone interact. energy: -0.167
local terms energy: -42.079051
where:
bonds (distance) C4'-P energy: -13.537
bonds (distance) P-C4' energy: -12.592
flat angles C4'-P-C4' energy: -10.834
flat angles P-C4'-P energy: -2.936
tors. eta vs tors. theta energy: -2.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -54.412128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.412128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.412128 (E_RNA)
where:
Base-Base interactions energy: -10.780
where: short stacking energy: -10.224
Base-Backbone interact. energy: -0.252
local terms energy: -43.380435
where:
bonds (distance) C4'-P energy: -12.014
bonds (distance) P-C4' energy: -11.997
flat angles C4'-P-C4' energy: -12.441
flat angles P-C4'-P energy: -9.658
tors. eta vs tors. theta energy: 2.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -181.374455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.374455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.374455 (E_RNA)
where:
Base-Base interactions energy: -116.670
where: short stacking energy: -48.729
Base-Backbone interact. energy: -0.047
local terms energy: -64.658146
where:
bonds (distance) C4'-P energy: -11.906
bonds (distance) P-C4' energy: -11.495
flat angles C4'-P-C4' energy: -14.443
flat angles P-C4'-P energy: -9.254
tors. eta vs tors. theta energy: -17.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -181.293987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.293987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.293987 (E_RNA)
where:
Base-Base interactions energy: -119.243
where: short stacking energy: -45.036
Base-Backbone interact. energy: 0.857
local terms energy: -62.908049
where:
bonds (distance) C4'-P energy: -12.083
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -10.186
flat angles P-C4'-P energy: -9.732
tors. eta vs tors. theta energy: -16.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -179.293815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.293815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.293815 (E_RNA)
where:
Base-Base interactions energy: -113.197
where: short stacking energy: -48.174
Base-Backbone interact. energy: -0.005
local terms energy: -66.092315
where:
bonds (distance) C4'-P energy: -12.907
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -12.982
flat angles P-C4'-P energy: -8.514
tors. eta vs tors. theta energy: -17.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -174.486370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.486370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.486370 (E_RNA)
where:
Base-Base interactions energy: -111.561
where: short stacking energy: -43.249
Base-Backbone interact. energy: -0.187
local terms energy: -62.739126
where:
bonds (distance) C4'-P energy: -14.261
bonds (distance) P-C4' energy: -8.767
flat angles C4'-P-C4' energy: -13.037
flat angles P-C4'-P energy: -11.543
tors. eta vs tors. theta energy: -15.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -134.371856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.371856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.371856 (E_RNA)
where:
Base-Base interactions energy: -80.027
where: short stacking energy: -38.952
Base-Backbone interact. energy: -0.146
local terms energy: -54.198314
where:
bonds (distance) C4'-P energy: -11.276
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -9.642
flat angles P-C4'-P energy: -6.643
tors. eta vs tors. theta energy: -11.773
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: 2
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -88.860041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.860041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.860041 (E_RNA)
where:
Base-Base interactions energy: -42.674
where: short stacking energy: -23.491
Base-Backbone interact. energy: -0.396
local terms energy: -45.790774
where:
bonds (distance) C4'-P energy: -10.672
bonds (distance) P-C4' energy: -12.122
flat angles C4'-P-C4' energy: -13.228
flat angles P-C4'-P energy: -9.281
tors. eta vs tors. theta energy: -0.487
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: 8
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -65.618111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.618111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.618111 (E_RNA)
where:
Base-Base interactions energy: -18.956
where: short stacking energy: -17.524
Base-Backbone interact. energy: -0.117
local terms energy: -46.545297
where:
bonds (distance) C4'-P energy: -9.939
bonds (distance) P-C4' energy: -14.582
flat angles C4'-P-C4' energy: -13.878
flat angles P-C4'-P energy: -4.093
tors. eta vs tors. theta energy: -4.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -60.270580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.270580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.270580 (E_RNA)
where:
Base-Base interactions energy: -22.263
where: short stacking energy: -12.151
Base-Backbone interact. energy: 0.691
local terms energy: -38.698387
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -13.082
flat angles C4'-P-C4' energy: -9.093
flat angles P-C4'-P energy: -9.728
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: 9, replica: 10
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -73.458974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.458974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.458974 (E_RNA)
where:
Base-Base interactions energy: -39.060
where: short stacking energy: -20.041
Base-Backbone interact. energy: -0.147
local terms energy: -34.251895
where:
bonds (distance) C4'-P energy: -11.284
bonds (distance) P-C4' energy: -3.352
flat angles C4'-P-C4' energy: -4.628
flat angles P-C4'-P energy: -7.958
tors. eta vs tors. theta energy: -7.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -63.759716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.759716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.759716 (E_RNA)
where:
Base-Base interactions energy: -17.594
where: short stacking energy: -12.581
Base-Backbone interact. energy: -0.685
local terms energy: -45.480759
where:
bonds (distance) C4'-P energy: -12.157
bonds (distance) P-C4' energy: -12.619
flat angles C4'-P-C4' energy: -11.324
flat angles P-C4'-P energy: -7.988
tors. eta vs tors. theta energy: -1.393
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: 6
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -175.082900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.082900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.082900 (E_RNA)
where:
Base-Base interactions energy: -107.742
where: short stacking energy: -43.816
Base-Backbone interact. energy: -0.226
local terms energy: -67.114873
where:
bonds (distance) C4'-P energy: -13.950
bonds (distance) P-C4' energy: -13.275
flat angles C4'-P-C4' energy: -14.657
flat angles P-C4'-P energy: -9.915
tors. eta vs tors. theta energy: -15.318
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: 7
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -180.501615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.501615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.501615 (E_RNA)
where:
Base-Base interactions energy: -117.355
where: short stacking energy: -51.610
Base-Backbone interact. energy: -0.006
local terms energy: -63.139841
where:
bonds (distance) C4'-P energy: -10.842
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -12.403
flat angles P-C4'-P energy: -8.864
tors. eta vs tors. theta energy: -17.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -171.892155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.892155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.892155 (E_RNA)
where:
Base-Base interactions energy: -116.640
where: short stacking energy: -50.363
Base-Backbone interact. energy: -0.003
local terms energy: -55.249600
where:
bonds (distance) C4'-P energy: -11.206
bonds (distance) P-C4' energy: -11.944
flat angles C4'-P-C4' energy: -9.760
flat angles P-C4'-P energy: -7.314
tors. eta vs tors. theta energy: -15.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -174.667201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.667201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.667201 (E_RNA)
where:
Base-Base interactions energy: -113.599
where: short stacking energy: -44.780
Base-Backbone interact. energy: -0.001
local terms energy: -61.067799
where:
bonds (distance) C4'-P energy: -11.279
bonds (distance) P-C4' energy: -13.867
flat angles C4'-P-C4' energy: -10.914
flat angles P-C4'-P energy: -10.621
tors. eta vs tors. theta energy: -14.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -140.991294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.991294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.991294 (E_RNA)
where:
Base-Base interactions energy: -82.478
where: short stacking energy: -30.010
Base-Backbone interact. energy: -0.027
local terms energy: -58.486735
where:
bonds (distance) C4'-P energy: -12.956
bonds (distance) P-C4' energy: -11.442
flat angles C4'-P-C4' energy: -14.147
flat angles P-C4'-P energy: -7.297
tors. eta vs tors. theta energy: -12.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -72.345465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.345465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.345465 (E_RNA)
where:
Base-Base interactions energy: -22.472
where: short stacking energy: -15.691
Base-Backbone interact. energy: -0.044
local terms energy: -49.829808
where:
bonds (distance) C4'-P energy: -13.064
bonds (distance) P-C4' energy: -13.239
flat angles C4'-P-C4' energy: -14.429
flat angles P-C4'-P energy: -10.439
tors. eta vs tors. theta energy: 1.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -76.712329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.712329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.712329 (E_RNA)
where:
Base-Base interactions energy: -35.541
where: short stacking energy: -6.931
Base-Backbone interact. energy: -0.199
local terms energy: -40.971816
where:
bonds (distance) C4'-P energy: -11.685
bonds (distance) P-C4' energy: -12.205
flat angles C4'-P-C4' energy: -9.128
flat angles P-C4'-P energy: -8.647
tors. eta vs tors. theta energy: 0.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -71.463206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.463206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.463206 (E_RNA)
where:
Base-Base interactions energy: -23.133
where: short stacking energy: -17.888
Base-Backbone interact. energy: -0.096
local terms energy: -48.234352
where:
bonds (distance) C4'-P energy: -10.762
bonds (distance) P-C4' energy: -15.125
flat angles C4'-P-C4' energy: -11.807
flat angles P-C4'-P energy: -6.696
tors. eta vs tors. theta energy: -3.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -63.551595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.551595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.551595 (E_RNA)
where:
Base-Base interactions energy: -20.017
where: short stacking energy: -12.682
Base-Backbone interact. energy: -0.251
local terms energy: -43.283853
where:
bonds (distance) C4'-P energy: -10.945
bonds (distance) P-C4' energy: -13.579
flat angles C4'-P-C4' energy: -12.012
flat angles P-C4'-P energy: -2.404
tors. eta vs tors. theta energy: -4.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -52.844388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.844388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.844388 (E_RNA)
where:
Base-Base interactions energy: -10.720
where: short stacking energy: -10.720
Base-Backbone interact. energy: -0.972
local terms energy: -41.152397
where:
bonds (distance) C4'-P energy: -9.694
bonds (distance) P-C4' energy: -13.748
flat angles C4'-P-C4' energy: -8.853
flat angles P-C4'-P energy: -7.141
tors. eta vs tors. theta energy: -1.717
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: 1, replica: 6
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -180.412101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.412101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.412101 (E_RNA)
where:
Base-Base interactions energy: -117.346
where: short stacking energy: -38.539
Base-Backbone interact. energy: 1.543
local terms energy: -64.609002
where:
bonds (distance) C4'-P energy: -14.137
bonds (distance) P-C4' energy: -12.153
flat angles C4'-P-C4' energy: -14.823
flat angles P-C4'-P energy: -10.845
tors. eta vs tors. theta energy: -12.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -177.178362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.178362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.178362 (E_RNA)
where:
Base-Base interactions energy: -117.626
where: short stacking energy: -42.058
Base-Backbone interact. energy: -0.022
local terms energy: -59.530065
where:
bonds (distance) C4'-P energy: -13.967
bonds (distance) P-C4' energy: -11.519
flat angles C4'-P-C4' energy: -11.972
flat angles P-C4'-P energy: -7.041
tors. eta vs tors. theta energy: -15.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -171.761642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.761642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.761642 (E_RNA)
where:
Base-Base interactions energy: -111.926
where: short stacking energy: -43.061
Base-Backbone interact. energy: -0.003
local terms energy: -59.832802
where:
bonds (distance) C4'-P energy: -12.034
bonds (distance) P-C4' energy: -11.119
flat angles C4'-P-C4' energy: -10.543
flat angles P-C4'-P energy: -7.649
tors. eta vs tors. theta energy: -18.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -165.652858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.652858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.652858 (E_RNA)
where:
Base-Base interactions energy: -102.664
where: short stacking energy: -39.910
Base-Backbone interact. energy: -0.047
local terms energy: -62.941769
where:
bonds (distance) C4'-P energy: -12.695
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -13.796
flat angles P-C4'-P energy: -6.900
tors. eta vs tors. theta energy: -16.035
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: 5, replica: 1
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -169.459464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.459464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.459464 (E_RNA)
where:
Base-Base interactions energy: -108.414
where: short stacking energy: -36.236
Base-Backbone interact. energy: -0.002
local terms energy: -61.043055
where:
bonds (distance) C4'-P energy: -11.755
bonds (distance) P-C4' energy: -14.904
flat angles C4'-P-C4' energy: -14.104
flat angles P-C4'-P energy: -6.141
tors. eta vs tors. theta energy: -14.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -68.197707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.197707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.197707 (E_RNA)
where:
Base-Base interactions energy: -27.653
where: short stacking energy: -9.906
Base-Backbone interact. energy: 2.776
local terms energy: -43.320237
where:
bonds (distance) C4'-P energy: -11.378
bonds (distance) P-C4' energy: -9.192
flat angles C4'-P-C4' energy: -11.744
flat angles P-C4'-P energy: -8.456
tors. eta vs tors. theta energy: -2.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -73.700413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.700413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.700413 (E_RNA)
where:
Base-Base interactions energy: -31.476
where: short stacking energy: -15.319
Base-Backbone interact. energy: -0.277
local terms energy: -41.948018
where:
bonds (distance) C4'-P energy: -12.922
bonds (distance) P-C4' energy: -10.833
flat angles C4'-P-C4' energy: -12.240
flat angles P-C4'-P energy: -8.194
tors. eta vs tors. theta energy: 2.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -76.338582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.338582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.338582 (E_RNA)
where:
Base-Base interactions energy: -45.058
where: short stacking energy: -15.834
Base-Backbone interact. energy: -0.083
local terms energy: -31.198406
where:
bonds (distance) C4'-P energy: -11.748
bonds (distance) P-C4' energy: -10.891
flat angles C4'-P-C4' energy: -3.570
flat angles P-C4'-P energy: -3.007
tors. eta vs tors. theta energy: -1.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -59.843073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.843073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.843073 (E_RNA)
where:
Base-Base interactions energy: -28.296
where: short stacking energy: -23.484
Base-Backbone interact. energy: -0.085
local terms energy: -31.462069
where:
bonds (distance) C4'-P energy: -9.005
bonds (distance) P-C4' energy: -9.001
flat angles C4'-P-C4' energy: -6.620
flat angles P-C4'-P energy: -2.262
tors. eta vs tors. theta energy: -4.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -59.782310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.782310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.782310 (E_RNA)
where:
Base-Base interactions energy: -19.229
where: short stacking energy: -6.935
Base-Backbone interact. energy: -0.143
local terms energy: -40.410412
where:
bonds (distance) C4'-P energy: -13.003
bonds (distance) P-C4' energy: -12.162
flat angles C4'-P-C4' energy: -9.703
flat angles P-C4'-P energy: -9.076
tors. eta vs tors. theta energy: 3.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -177.857086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.857086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.857086 (E_RNA)
where:
Base-Base interactions energy: -117.322
where: short stacking energy: -47.339
Base-Backbone interact. energy: -0.021
local terms energy: -60.513469
where:
bonds (distance) C4'-P energy: -7.816
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -12.971
flat angles P-C4'-P energy: -9.451
tors. eta vs tors. theta energy: -16.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -169.164402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.164402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.164402 (E_RNA)
where:
Base-Base interactions energy: -109.475
where: short stacking energy: -39.059
Base-Backbone interact. energy: -0.054
local terms energy: -59.634926
where:
bonds (distance) C4'-P energy: -12.589
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -10.968
flat angles P-C4'-P energy: -7.694
tors. eta vs tors. theta energy: -14.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -172.858830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.858830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.858830 (E_RNA)
where:
Base-Base interactions energy: -113.685
where: short stacking energy: -39.266
Base-Backbone interact. energy: -0.288
local terms energy: -58.886270
where:
bonds (distance) C4'-P energy: -12.956
bonds (distance) P-C4' energy: -14.023
flat angles C4'-P-C4' energy: -9.756
flat angles P-C4'-P energy: -8.254
tors. eta vs tors. theta energy: -13.897
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: 4, replica: 3
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -165.438364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.438364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.438364 (E_RNA)
where:
Base-Base interactions energy: -105.024
where: short stacking energy: -40.544
Base-Backbone interact. energy: -0.093
local terms energy: -60.322201
where:
bonds (distance) C4'-P energy: -10.718
bonds (distance) P-C4' energy: -13.938
flat angles C4'-P-C4' energy: -11.670
flat angles P-C4'-P energy: -9.997
tors. eta vs tors. theta energy: -14.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -169.152833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.152833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.152833 (E_RNA)
where:
Base-Base interactions energy: -110.460
where: short stacking energy: -41.706
Base-Backbone interact. energy: -0.001
local terms energy: -58.691527
where:
bonds (distance) C4'-P energy: -11.491
bonds (distance) P-C4' energy: -11.344
flat angles C4'-P-C4' energy: -12.881
flat angles P-C4'-P energy: -8.414
tors. eta vs tors. theta energy: -14.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -78.372722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.372722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.372722 (E_RNA)
where:
Base-Base interactions energy: -33.703
where: short stacking energy: -19.431
Base-Backbone interact. energy: 0.179
local terms energy: -44.849077
where:
bonds (distance) C4'-P energy: -14.108
bonds (distance) P-C4' energy: -12.524
flat angles C4'-P-C4' energy: -11.329
flat angles P-C4'-P energy: -7.651
tors. eta vs tors. theta energy: 0.764
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: 2
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -67.092320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.092320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.092320 (E_RNA)
where:
Base-Base interactions energy: -28.054
where: short stacking energy: -9.850
Base-Backbone interact. energy: -0.770
local terms energy: -38.268243
where:
bonds (distance) C4'-P energy: -12.075
bonds (distance) P-C4' energy: -12.889
flat angles C4'-P-C4' energy: -6.494
flat angles P-C4'-P energy: -7.495
tors. eta vs tors. theta energy: 0.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -71.609191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.609191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.609191 (E_RNA)
where:
Base-Base interactions energy: -24.939
where: short stacking energy: -8.769
Base-Backbone interact. energy: -0.806
local terms energy: -45.864284
where:
bonds (distance) C4'-P energy: -13.222
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -12.181
flat angles P-C4'-P energy: -8.360
tors. eta vs tors. theta energy: 2.079
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: 9, replica: 5
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -72.014425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.014425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.014425 (E_RNA)
where:
Base-Base interactions energy: -40.209
where: short stacking energy: -14.182
Base-Backbone interact. energy: -0.169
local terms energy: -31.636700
where:
bonds (distance) C4'-P energy: -8.994
bonds (distance) P-C4' energy: -10.083
flat angles C4'-P-C4' energy: -7.624
flat angles P-C4'-P energy: -4.576
tors. eta vs tors. theta energy: -0.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -59.759880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.759880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.759880 (E_RNA)
where:
Base-Base interactions energy: -30.173
where: short stacking energy: -14.321
Base-Backbone interact. energy: -0.136
local terms energy: -29.451075
where:
bonds (distance) C4'-P energy: -8.865
bonds (distance) P-C4' energy: -8.840
flat angles C4'-P-C4' energy: -9.723
flat angles P-C4'-P energy: -5.116
tors. eta vs tors. theta energy: 3.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -183.966026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.966026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.966026 (E_RNA)
where:
Base-Base interactions energy: -117.851
where: short stacking energy: -47.875
Base-Backbone interact. energy: -0.000
local terms energy: -66.115325
where:
bonds (distance) C4'-P energy: -12.361
bonds (distance) P-C4' energy: -13.144
flat angles C4'-P-C4' energy: -15.069
flat angles P-C4'-P energy: -9.135
tors. eta vs tors. theta energy: -16.407
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: 7
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -177.696293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.696293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.696293 (E_RNA)
where:
Base-Base interactions energy: -117.353
where: short stacking energy: -45.502
Base-Backbone interact. energy: -0.009
local terms energy: -60.334845
where:
bonds (distance) C4'-P energy: -13.433
bonds (distance) P-C4' energy: -13.812
flat angles C4'-P-C4' energy: -11.046
flat angles P-C4'-P energy: -7.891
tors. eta vs tors. theta energy: -14.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -164.372214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.372214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.372214 (E_RNA)
where:
Base-Base interactions energy: -104.470
where: short stacking energy: -43.613
Base-Backbone interact. energy: -0.002
local terms energy: -59.900811
where:
bonds (distance) C4'-P energy: -9.591
bonds (distance) P-C4' energy: -11.914
flat angles C4'-P-C4' energy: -12.542
flat angles P-C4'-P energy: -9.102
tors. eta vs tors. theta energy: -16.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -172.872822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.872822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.872822 (E_RNA)
where:
Base-Base interactions energy: -108.777
where: short stacking energy: -42.235
Base-Backbone interact. energy: -0.009
local terms energy: -64.086810
where:
bonds (distance) C4'-P energy: -12.705
bonds (distance) P-C4' energy: -11.061
flat angles C4'-P-C4' energy: -14.448
flat angles P-C4'-P energy: -9.602
tors. eta vs tors. theta energy: -16.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -164.239715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.239715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.239715 (E_RNA)
where:
Base-Base interactions energy: -109.153
where: short stacking energy: -41.181
Base-Backbone interact. energy: -0.038
local terms energy: -55.048441
where:
bonds (distance) C4'-P energy: -11.037
bonds (distance) P-C4' energy: -13.141
flat angles C4'-P-C4' energy: -11.676
flat angles P-C4'-P energy: -3.440
tors. eta vs tors. theta energy: -15.754
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: 2
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -106.305022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.305022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.305022 (E_RNA)
where:
Base-Base interactions energy: -65.520
where: short stacking energy: -25.044
Base-Backbone interact. energy: -0.017
local terms energy: -40.768213
where:
bonds (distance) C4'-P energy: -7.715
bonds (distance) P-C4' energy: -11.098
flat angles C4'-P-C4' energy: -9.701
flat angles P-C4'-P energy: -5.308
tors. eta vs tors. theta energy: -6.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -102.387353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.387353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.387353 (E_RNA)
where:
Base-Base interactions energy: -57.581
where: short stacking energy: -23.503
Base-Backbone interact. energy: -0.035
local terms energy: -44.772120
where:
bonds (distance) C4'-P energy: -5.302
bonds (distance) P-C4' energy: -13.891
flat angles C4'-P-C4' energy: -11.470
flat angles P-C4'-P energy: -6.429
tors. eta vs tors. theta energy: -7.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -61.676061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.676061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.676061 (E_RNA)
where:
Base-Base interactions energy: -21.263
where: short stacking energy: -10.416
Base-Backbone interact. energy: -0.493
local terms energy: -39.920422
where:
bonds (distance) C4'-P energy: -13.602
bonds (distance) P-C4' energy: -13.072
flat angles C4'-P-C4' energy: -8.743
flat angles P-C4'-P energy: -3.388
tors. eta vs tors. theta energy: -1.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -63.584454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.584454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.584454 (E_RNA)
where:
Base-Base interactions energy: -25.853
where: short stacking energy: -24.188
Base-Backbone interact. energy: -0.006
local terms energy: -37.725690
where:
bonds (distance) C4'-P energy: -5.852
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -10.803
flat angles P-C4'-P energy: -4.890
tors. eta vs tors. theta energy: -2.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -57.939228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.939228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.939228 (E_RNA)
where:
Base-Base interactions energy: -14.880
where: short stacking energy: -13.078
Base-Backbone interact. energy: 0.146
local terms energy: -43.204943
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -11.686
flat angles C4'-P-C4' energy: -8.418
flat angles P-C4'-P energy: -10.906
tors. eta vs tors. theta energy: 0.691
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: 7
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -182.965693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.965693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.965693 (E_RNA)
where:
Base-Base interactions energy: -121.473
where: short stacking energy: -46.604
Base-Backbone interact. energy: -0.004
local terms energy: -61.488917
where:
bonds (distance) C4'-P energy: -10.531
bonds (distance) P-C4' energy: -12.481
flat angles C4'-P-C4' energy: -13.576
flat angles P-C4'-P energy: -9.033
tors. eta vs tors. theta energy: -15.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -177.109679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.109679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.109679 (E_RNA)
where:
Base-Base interactions energy: -115.625
where: short stacking energy: -47.469
Base-Backbone interact. energy: -0.006
local terms energy: -61.478294
where:
bonds (distance) C4'-P energy: -12.448
bonds (distance) P-C4' energy: -13.791
flat angles C4'-P-C4' energy: -13.769
flat angles P-C4'-P energy: -4.773
tors. eta vs tors. theta energy: -16.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -179.501543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.501543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.501543 (E_RNA)
where:
Base-Base interactions energy: -117.483
where: short stacking energy: -46.504
Base-Backbone interact. energy: -0.006
local terms energy: -62.012986
where:
bonds (distance) C4'-P energy: -13.843
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -12.238
flat angles P-C4'-P energy: -6.887
tors. eta vs tors. theta energy: -14.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -170.855940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.855940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.855940 (E_RNA)
where:
Base-Base interactions energy: -113.313
where: short stacking energy: -42.428
Base-Backbone interact. energy: -0.025
local terms energy: -57.517616
where:
bonds (distance) C4'-P energy: -12.112
bonds (distance) P-C4' energy: -11.377
flat angles C4'-P-C4' energy: -13.407
flat angles P-C4'-P energy: -5.600
tors. eta vs tors. theta energy: -15.022
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: 5, replica: 3
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -170.206265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.206265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.206265 (E_RNA)
where:
Base-Base interactions energy: -101.997
where: short stacking energy: -39.119
Base-Backbone interact. energy: -1.801
local terms energy: -66.407925
where:
bonds (distance) C4'-P energy: -12.936
bonds (distance) P-C4' energy: -14.453
flat angles C4'-P-C4' energy: -12.835
flat angles P-C4'-P energy: -10.812
tors. eta vs tors. theta energy: -15.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -103.600748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.600748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.600748 (E_RNA)
where:
Base-Base interactions energy: -57.780
where: short stacking energy: -23.387
Base-Backbone interact. energy: -1.013
local terms energy: -44.807217
where:
bonds (distance) C4'-P energy: -11.772
bonds (distance) P-C4' energy: -12.261
flat angles C4'-P-C4' energy: -11.946
flat angles P-C4'-P energy: -6.175
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: 7, replica: 8
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -74.895188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.895188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.895188 (E_RNA)
where:
Base-Base interactions energy: -31.199
where: short stacking energy: -19.445
Base-Backbone interact. energy: -0.027
local terms energy: -43.669866
where:
bonds (distance) C4'-P energy: -10.266
bonds (distance) P-C4' energy: -12.493
flat angles C4'-P-C4' energy: -8.557
flat angles P-C4'-P energy: -6.724
tors. eta vs tors. theta energy: -5.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -66.541287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.541287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.541287 (E_RNA)
where:
Base-Base interactions energy: -23.312
where: short stacking energy: -10.094
Base-Backbone interact. energy: 0.465
local terms energy: -43.694828
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -11.718
flat angles P-C4'-P energy: -3.724
tors. eta vs tors. theta energy: 0.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -67.830827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.830827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.830827 (E_RNA)
where:
Base-Base interactions energy: -30.186
where: short stacking energy: -26.430
Base-Backbone interact. energy: -0.082
local terms energy: -37.563394
where:
bonds (distance) C4'-P energy: -9.484
bonds (distance) P-C4' energy: -8.780
flat angles C4'-P-C4' energy: -10.160
flat angles P-C4'-P energy: -6.277
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: 5
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -62.230384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.230384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.230384 (E_RNA)
where:
Base-Base interactions energy: -24.017
where: short stacking energy: -13.186
Base-Backbone interact. energy: -0.084
local terms energy: -38.128617
where:
bonds (distance) C4'-P energy: -12.113
bonds (distance) P-C4' energy: -11.373
flat angles C4'-P-C4' energy: -12.808
flat angles P-C4'-P energy: -1.820
tors. eta vs tors. theta energy: -0.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -188.378367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.378367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.378367 (E_RNA)
where:
Base-Base interactions energy: -123.778
where: short stacking energy: -53.734
Base-Backbone interact. energy: -0.080
local terms energy: -64.520788
where:
bonds (distance) C4'-P energy: -13.189
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -11.937
flat angles P-C4'-P energy: -9.961
tors. eta vs tors. theta energy: -15.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -172.594636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.594636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.594636 (E_RNA)
where:
Base-Base interactions energy: -110.774
where: short stacking energy: -44.187
Base-Backbone interact. energy: -0.080
local terms energy: -61.739820
where:
bonds (distance) C4'-P energy: -11.525
bonds (distance) P-C4' energy: -11.954
flat angles C4'-P-C4' energy: -12.771
flat angles P-C4'-P energy: -9.189
tors. eta vs tors. theta energy: -16.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -177.148001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.148001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.148001 (E_RNA)
where:
Base-Base interactions energy: -115.555
where: short stacking energy: -46.396
Base-Backbone interact. energy: 0.615
local terms energy: -62.208185
where:
bonds (distance) C4'-P energy: -10.388
bonds (distance) P-C4' energy: -12.480
flat angles C4'-P-C4' energy: -10.665
flat angles P-C4'-P energy: -10.566
tors. eta vs tors. theta energy: -18.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -176.549156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.549156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.549156 (E_RNA)
where:
Base-Base interactions energy: -123.142
where: short stacking energy: -40.396
Base-Backbone interact. energy: -0.287
local terms energy: -53.120522
where:
bonds (distance) C4'-P energy: -11.520
bonds (distance) P-C4' energy: -9.784
flat angles C4'-P-C4' energy: -12.233
flat angles P-C4'-P energy: -5.766
tors. eta vs tors. theta energy: -13.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -156.477641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.477641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.477641 (E_RNA)
where:
Base-Base interactions energy: -103.420
where: short stacking energy: -40.067
Base-Backbone interact. energy: 0.414
local terms energy: -53.471357
where:
bonds (distance) C4'-P energy: -9.351
bonds (distance) P-C4' energy: -8.617
flat angles C4'-P-C4' energy: -12.510
flat angles P-C4'-P energy: -8.819
tors. eta vs tors. theta energy: -14.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -74.733307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.733307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.733307 (E_RNA)
where:
Base-Base interactions energy: -34.763
where: short stacking energy: -13.513
Base-Backbone interact. energy: -0.110
local terms energy: -39.859922
where:
bonds (distance) C4'-P energy: -10.862
bonds (distance) P-C4' energy: -14.097
flat angles C4'-P-C4' energy: -10.873
flat angles P-C4'-P energy: -6.843
tors. eta vs tors. theta energy: 2.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -78.852761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.852761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.852761 (E_RNA)
where:
Base-Base interactions energy: -44.054
where: short stacking energy: -24.182
Base-Backbone interact. energy: 0.720
local terms energy: -35.518514
where:
bonds (distance) C4'-P energy: -11.065
bonds (distance) P-C4' energy: -13.665
flat angles C4'-P-C4' energy: -7.249
flat angles P-C4'-P energy: -2.486
tors. eta vs tors. theta energy: -1.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -62.983919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.983919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.983919 (E_RNA)
where:
Base-Base interactions energy: -19.749
where: short stacking energy: -12.852
Base-Backbone interact. energy: 0.446
local terms energy: -43.681049
where:
bonds (distance) C4'-P energy: -11.934
bonds (distance) P-C4' energy: -9.192
flat angles C4'-P-C4' energy: -12.807
flat angles P-C4'-P energy: -7.396
tors. eta vs tors. theta energy: -2.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -61.470838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.470838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.470838 (E_RNA)
where:
Base-Base interactions energy: -13.726
where: short stacking energy: -11.447
Base-Backbone interact. energy: -0.300
local terms energy: -47.444344
where:
bonds (distance) C4'-P energy: -12.547
bonds (distance) P-C4' energy: -14.435
flat angles C4'-P-C4' energy: -11.071
flat angles P-C4'-P energy: -4.480
tors. eta vs tors. theta energy: -4.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -58.269932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.269932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.269932 (E_RNA)
where:
Base-Base interactions energy: -23.585
where: short stacking energy: -23.585
Base-Backbone interact. energy: -0.065
local terms energy: -34.619927
where:
bonds (distance) C4'-P energy: -10.244
bonds (distance) P-C4' energy: -5.548
flat angles C4'-P-C4' energy: -10.237
flat angles P-C4'-P energy: -5.654
tors. eta vs tors. theta energy: -2.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -180.456702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.456702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.456702 (E_RNA)
where:
Base-Base interactions energy: -119.055
where: short stacking energy: -45.262
Base-Backbone interact. energy: -0.077
local terms energy: -61.324634
where:
bonds (distance) C4'-P energy: -13.636
bonds (distance) P-C4' energy: -10.847
flat angles C4'-P-C4' energy: -13.512
flat angles P-C4'-P energy: -8.250
tors. eta vs tors. theta energy: -15.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -174.390568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.390568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.390568 (E_RNA)
where:
Base-Base interactions energy: -117.467
where: short stacking energy: -50.470
Base-Backbone interact. energy: -0.019
local terms energy: -56.904373
where:
bonds (distance) C4'-P energy: -11.355
bonds (distance) P-C4' energy: -9.848
flat angles C4'-P-C4' energy: -9.120
flat angles P-C4'-P energy: -7.742
tors. eta vs tors. theta energy: -18.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -178.781271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.781271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.781271 (E_RNA)
where:
Base-Base interactions energy: -117.504
where: short stacking energy: -52.970
Base-Backbone interact. energy: 0.165
local terms energy: -61.441988
where:
bonds (distance) C4'-P energy: -12.484
bonds (distance) P-C4' energy: -9.237
flat angles C4'-P-C4' energy: -13.428
flat angles P-C4'-P energy: -10.627
tors. eta vs tors. theta energy: -15.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -177.578971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.578971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.578971 (E_RNA)
where:
Base-Base interactions energy: -111.961
where: short stacking energy: -45.487
Base-Backbone interact. energy: -0.001
local terms energy: -65.616727
where:
bonds (distance) C4'-P energy: -12.709
bonds (distance) P-C4' energy: -12.422
flat angles C4'-P-C4' energy: -13.408
flat angles P-C4'-P energy: -9.161
tors. eta vs tors. theta energy: -17.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -167.109033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.109033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.109033 (E_RNA)
where:
Base-Base interactions energy: -110.357
where: short stacking energy: -43.459
Base-Backbone interact. energy: -0.006
local terms energy: -56.746170
where:
bonds (distance) C4'-P energy: -8.149
bonds (distance) P-C4' energy: -13.487
flat angles C4'-P-C4' energy: -12.817
flat angles P-C4'-P energy: -9.469
tors. eta vs tors. theta energy: -12.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -73.356279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.356279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.356279 (E_RNA)
where:
Base-Base interactions energy: -28.692
where: short stacking energy: -22.126
Base-Backbone interact. energy: -0.139
local terms energy: -44.525485
where:
bonds (distance) C4'-P energy: -10.813
bonds (distance) P-C4' energy: -13.039
flat angles C4'-P-C4' energy: -10.545
flat angles P-C4'-P energy: -6.367
tors. eta vs tors. theta energy: -3.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -69.333700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.333700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.333700 (E_RNA)
where:
Base-Base interactions energy: -31.376
where: short stacking energy: -22.571
Base-Backbone interact. energy: 0.874
local terms energy: -38.831372
where:
bonds (distance) C4'-P energy: -8.969
bonds (distance) P-C4' energy: -9.701
flat angles C4'-P-C4' energy: -9.027
flat angles P-C4'-P energy: -5.639
tors. eta vs tors. theta energy: -5.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -74.118460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.118460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.118460 (E_RNA)
where:
Base-Base interactions energy: -33.775
where: short stacking energy: -13.951
Base-Backbone interact. energy: 0.241
local terms energy: -40.584751
where:
bonds (distance) C4'-P energy: -6.767
bonds (distance) P-C4' energy: -13.078
flat angles C4'-P-C4' energy: -11.829
flat angles P-C4'-P energy: -9.540
tors. eta vs tors. theta energy: 0.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -62.032002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.032002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.032002 (E_RNA)
where:
Base-Base interactions energy: -19.435
where: short stacking energy: -12.509
Base-Backbone interact. energy: -0.202
local terms energy: -42.395376
where:
bonds (distance) C4'-P energy: -9.024
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -11.558
flat angles P-C4'-P energy: -8.151
tors. eta vs tors. theta energy: -0.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -60.707880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.707880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.707880 (E_RNA)
where:
Base-Base interactions energy: -22.340
where: short stacking energy: -18.963
Base-Backbone interact. energy: -0.181
local terms energy: -38.187165
where:
bonds (distance) C4'-P energy: -11.304
bonds (distance) P-C4' energy: -9.852
flat angles C4'-P-C4' energy: -11.044
flat angles P-C4'-P energy: -4.340
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: 1, replica: 1
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -180.751714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.751714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.751714 (E_RNA)
where:
Base-Base interactions energy: -115.182
where: short stacking energy: -48.005
Base-Backbone interact. energy: -0.398
local terms energy: -65.172109
where:
bonds (distance) C4'-P energy: -13.868
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -12.955
flat angles P-C4'-P energy: -8.749
tors. eta vs tors. theta energy: -16.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -179.827159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.827159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.827159 (E_RNA)
where:
Base-Base interactions energy: -119.380
where: short stacking energy: -52.443
Base-Backbone interact. energy: 0.072
local terms energy: -60.519312
where:
bonds (distance) C4'-P energy: -6.599
bonds (distance) P-C4' energy: -11.877
flat angles C4'-P-C4' energy: -14.977
flat angles P-C4'-P energy: -10.752
tors. eta vs tors. theta energy: -16.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -169.417317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.417317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.417317 (E_RNA)
where:
Base-Base interactions energy: -115.724
where: short stacking energy: -46.157
Base-Backbone interact. energy: -0.112
local terms energy: -53.581398
where:
bonds (distance) C4'-P energy: -11.230
bonds (distance) P-C4' energy: -10.915
flat angles C4'-P-C4' energy: -9.675
flat angles P-C4'-P energy: -8.564
tors. eta vs tors. theta energy: -13.198
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: 6
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -174.649183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.649183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.649183 (E_RNA)
where:
Base-Base interactions energy: -117.297
where: short stacking energy: -41.512
Base-Backbone interact. energy: -0.144
local terms energy: -57.208207
where:
bonds (distance) C4'-P energy: -11.988
bonds (distance) P-C4' energy: -11.934
flat angles C4'-P-C4' energy: -11.346
flat angles P-C4'-P energy: -7.960
tors. eta vs tors. theta energy: -13.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -173.107355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.107355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.107355 (E_RNA)
where:
Base-Base interactions energy: -111.340
where: short stacking energy: -44.264
Base-Backbone interact. energy: -0.126
local terms energy: -61.641302
where:
bonds (distance) C4'-P energy: -10.833
bonds (distance) P-C4' energy: -14.403
flat angles C4'-P-C4' energy: -14.097
flat angles P-C4'-P energy: -7.049
tors. eta vs tors. theta energy: -15.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -71.948604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.948604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.948604 (E_RNA)
where:
Base-Base interactions energy: -28.929
where: short stacking energy: -23.480
Base-Backbone interact. energy: -0.094
local terms energy: -42.925847
where:
bonds (distance) C4'-P energy: -9.156
bonds (distance) P-C4' energy: -7.700
flat angles C4'-P-C4' energy: -12.914
flat angles P-C4'-P energy: -7.927
tors. eta vs tors. theta energy: -5.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -75.381816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.381816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.381816 (E_RNA)
where:
Base-Base interactions energy: -29.777
where: short stacking energy: -14.885
Base-Backbone interact. energy: -0.321
local terms energy: -45.283534
where:
bonds (distance) C4'-P energy: -9.652
bonds (distance) P-C4' energy: -11.672
flat angles C4'-P-C4' energy: -12.466
flat angles P-C4'-P energy: -8.903
tors. eta vs tors. theta energy: -2.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -75.319020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.319020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.319020 (E_RNA)
where:
Base-Base interactions energy: -19.475
where: short stacking energy: -19.475
Base-Backbone interact. energy: 1.007
local terms energy: -56.850817
where:
bonds (distance) C4'-P energy: -13.309
bonds (distance) P-C4' energy: -13.544
flat angles C4'-P-C4' energy: -14.163
flat angles P-C4'-P energy: -9.481
tors. eta vs tors. theta energy: -6.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -70.443585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.443585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.443585 (E_RNA)
where:
Base-Base interactions energy: -29.435
where: short stacking energy: -17.804
Base-Backbone interact. energy: -0.004
local terms energy: -41.004435
where:
bonds (distance) C4'-P energy: -11.368
bonds (distance) P-C4' energy: -11.246
flat angles C4'-P-C4' energy: -6.304
flat angles P-C4'-P energy: -6.760
tors. eta vs tors. theta energy: -5.328
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: 4
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -62.634859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.634859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.634859 (E_RNA)
where:
Base-Base interactions energy: -16.754
where: short stacking energy: -16.754
Base-Backbone interact. energy: -0.085
local terms energy: -45.795863
where:
bonds (distance) C4'-P energy: -11.404
bonds (distance) P-C4' energy: -13.634
flat angles C4'-P-C4' energy: -14.482
flat angles P-C4'-P energy: -5.626
tors. eta vs tors. theta energy: -0.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -181.392031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.392031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.392031 (E_RNA)
where:
Base-Base interactions energy: -117.613
where: short stacking energy: -48.812
Base-Backbone interact. energy: -0.068
local terms energy: -63.711636
where:
bonds (distance) C4'-P energy: -12.669
bonds (distance) P-C4' energy: -11.245
flat angles C4'-P-C4' energy: -11.292
flat angles P-C4'-P energy: -11.406
tors. eta vs tors. theta energy: -17.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -179.735739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.735739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.735739 (E_RNA)
where:
Base-Base interactions energy: -112.768
where: short stacking energy: -44.686
Base-Backbone interact. energy: -1.199
local terms energy: -65.769567
where:
bonds (distance) C4'-P energy: -13.603
bonds (distance) P-C4' energy: -12.862
flat angles C4'-P-C4' energy: -13.702
flat angles P-C4'-P energy: -10.269
tors. eta vs tors. theta energy: -15.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -167.145619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.145619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.145619 (E_RNA)
where:
Base-Base interactions energy: -107.333
where: short stacking energy: -42.769
Base-Backbone interact. energy: -0.042
local terms energy: -59.770845
where:
bonds (distance) C4'-P energy: -14.215
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -12.354
flat angles P-C4'-P energy: -4.499
tors. eta vs tors. theta energy: -14.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -174.949548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.949548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.949548 (E_RNA)
where:
Base-Base interactions energy: -113.113
where: short stacking energy: -47.950
Base-Backbone interact. energy: -0.001
local terms energy: -61.835725
where:
bonds (distance) C4'-P energy: -11.272
bonds (distance) P-C4' energy: -12.591
flat angles C4'-P-C4' energy: -12.790
flat angles P-C4'-P energy: -9.042
tors. eta vs tors. theta energy: -16.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -162.262607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.262607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.262607 (E_RNA)
where:
Base-Base interactions energy: -112.823
where: short stacking energy: -45.202
Base-Backbone interact. energy: -0.005
local terms energy: -49.434593
where:
bonds (distance) C4'-P energy: -6.283
bonds (distance) P-C4' energy: -9.173
flat angles C4'-P-C4' energy: -13.283
flat angles P-C4'-P energy: -6.845
tors. eta vs tors. theta energy: -13.851
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: 2
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -89.342022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.342022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.342022 (E_RNA)
where:
Base-Base interactions energy: -51.710
where: short stacking energy: -19.779
Base-Backbone interact. energy: -0.180
local terms energy: -37.451759
where:
bonds (distance) C4'-P energy: -7.881
bonds (distance) P-C4' energy: -14.886
flat angles C4'-P-C4' energy: -9.557
flat angles P-C4'-P energy: -4.703
tors. eta vs tors. theta energy: -0.424
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: 5
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -78.463825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.463825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.463825 (E_RNA)
where:
Base-Base interactions energy: -30.422
where: short stacking energy: -17.478
Base-Backbone interact. energy: -0.875
local terms energy: -47.167315
where:
bonds (distance) C4'-P energy: -13.914
bonds (distance) P-C4' energy: -12.349
flat angles C4'-P-C4' energy: -10.795
flat angles P-C4'-P energy: -5.460
tors. eta vs tors. theta energy: -4.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -63.736579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.736579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.736579 (E_RNA)
where:
Base-Base interactions energy: -23.198
where: short stacking energy: -15.555
Base-Backbone interact. energy: -0.108
local terms energy: -40.431447
where:
bonds (distance) C4'-P energy: -11.976
bonds (distance) P-C4' energy: -11.106
flat angles C4'-P-C4' energy: -12.306
flat angles P-C4'-P energy: -6.424
tors. eta vs tors. theta energy: 1.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -58.071902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.071902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.071902 (E_RNA)
where:
Base-Base interactions energy: -15.280
where: short stacking energy: -11.287
Base-Backbone interact. energy: -0.454
local terms energy: -42.338095
where:
bonds (distance) C4'-P energy: -11.752
bonds (distance) P-C4' energy: -11.483
flat angles C4'-P-C4' energy: -12.699
flat angles P-C4'-P energy: -6.287
tors. eta vs tors. theta energy: -0.117
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: 10
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -58.187014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.187014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.187014 (E_RNA)
where:
Base-Base interactions energy: -19.190
where: short stacking energy: -6.974
Base-Backbone interact. energy: -0.362
local terms energy: -38.635091
where:
bonds (distance) C4'-P energy: -8.001
bonds (distance) P-C4' energy: -12.101
flat angles C4'-P-C4' energy: -12.014
flat angles P-C4'-P energy: -3.087
tors. eta vs tors. theta energy: -3.432
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: 1, replica: 3
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -183.895471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.895471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.895471 (E_RNA)
where:
Base-Base interactions energy: -118.023
where: short stacking energy: -46.289
Base-Backbone interact. energy: -0.056
local terms energy: -65.816452
where:
bonds (distance) C4'-P energy: -12.361
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -13.376
flat angles P-C4'-P energy: -9.115
tors. eta vs tors. theta energy: -16.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -185.111002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.111002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.111002 (E_RNA)
where:
Base-Base interactions energy: -122.571
where: short stacking energy: -52.510
Base-Backbone interact. energy: -0.005
local terms energy: -62.534969
where:
bonds (distance) C4'-P energy: -11.450
bonds (distance) P-C4' energy: -11.944
flat angles C4'-P-C4' energy: -12.934
flat angles P-C4'-P energy: -10.846
tors. eta vs tors. theta energy: -15.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -145.605890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.605890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.605890 (E_RNA)
where:
Base-Base interactions energy: -103.856
where: short stacking energy: -26.436
Base-Backbone interact. energy: -0.203
local terms energy: -41.547212
where:
bonds (distance) C4'-P energy: -13.202
bonds (distance) P-C4' energy: -9.015
flat angles C4'-P-C4' energy: -9.922
flat angles P-C4'-P energy: -3.346
tors. eta vs tors. theta energy: -6.062
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: 9
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -174.506833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.506833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.506833 (E_RNA)
where:
Base-Base interactions energy: -116.895
where: short stacking energy: -47.040
Base-Backbone interact. energy: -0.334
local terms energy: -57.277366
where:
bonds (distance) C4'-P energy: -11.426
bonds (distance) P-C4' energy: -11.661
flat angles C4'-P-C4' energy: -9.996
flat angles P-C4'-P energy: -7.948
tors. eta vs tors. theta energy: -16.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -167.283920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.283920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.283920 (E_RNA)
where:
Base-Base interactions energy: -104.583
where: short stacking energy: -30.258
Base-Backbone interact. energy: -0.138
local terms energy: -62.562591
where:
bonds (distance) C4'-P energy: -13.718
bonds (distance) P-C4' energy: -12.659
flat angles C4'-P-C4' energy: -13.595
flat angles P-C4'-P energy: -9.291
tors. eta vs tors. theta energy: -13.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -70.720774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.720774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.720774 (E_RNA)
where:
Base-Base interactions energy: -30.734
where: short stacking energy: -22.615
Base-Backbone interact. energy: -0.003
local terms energy: -39.983536
where:
bonds (distance) C4'-P energy: -6.696
bonds (distance) P-C4' energy: -12.724
flat angles C4'-P-C4' energy: -11.159
flat angles P-C4'-P energy: -6.544
tors. eta vs tors. theta energy: -2.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -91.144549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.144549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.144549 (E_RNA)
where:
Base-Base interactions energy: -45.592
where: short stacking energy: -18.578
Base-Backbone interact. energy: -0.014
local terms energy: -45.538385
where:
bonds (distance) C4'-P energy: -7.439
bonds (distance) P-C4' energy: -14.689
flat angles C4'-P-C4' energy: -12.568
flat angles P-C4'-P energy: -3.653
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: 8, replica: 4
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -77.700386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.700386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.700386 (E_RNA)
where:
Base-Base interactions energy: -37.085
where: short stacking energy: -17.725
Base-Backbone interact. energy: -0.138
local terms energy: -40.477076
where:
bonds (distance) C4'-P energy: -7.902
bonds (distance) P-C4' energy: -11.919
flat angles C4'-P-C4' energy: -7.750
flat angles P-C4'-P energy: -9.223
tors. eta vs tors. theta energy: -3.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -59.048629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.048629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.048629 (E_RNA)
where:
Base-Base interactions energy: -12.331
where: short stacking energy: -12.331
Base-Backbone interact. energy: -0.099
local terms energy: -46.619050
where:
bonds (distance) C4'-P energy: -12.452
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -6.635
flat angles P-C4'-P energy: -9.454
tors. eta vs tors. theta energy: -2.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -58.040797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.040797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.040797 (E_RNA)
where:
Base-Base interactions energy: -15.502
where: short stacking energy: -15.502
Base-Backbone interact. energy: -0.042
local terms energy: -42.497378
where:
bonds (distance) C4'-P energy: -11.955
bonds (distance) P-C4' energy: -11.595
flat angles C4'-P-C4' energy: -6.475
flat angles P-C4'-P energy: -7.926
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: 176
Temperature: 0.900000
Total energy: -183.309942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.309942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.309942 (E_RNA)
where:
Base-Base interactions energy: -122.143
where: short stacking energy: -50.367
Base-Backbone interact. energy: -0.002
local terms energy: -61.165598
where:
bonds (distance) C4'-P energy: -12.821
bonds (distance) P-C4' energy: -10.597
flat angles C4'-P-C4' energy: -14.261
flat angles P-C4'-P energy: -10.283
tors. eta vs tors. theta energy: -13.204
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: 3
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -183.170699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.170699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.170699 (E_RNA)
where:
Base-Base interactions energy: -120.322
where: short stacking energy: -47.487
Base-Backbone interact. energy: -0.001
local terms energy: -62.848023
where:
bonds (distance) C4'-P energy: -14.369
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -10.406
flat angles P-C4'-P energy: -6.779
tors. eta vs tors. theta energy: -17.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -170.953536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.953536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.953536 (E_RNA)
where:
Base-Base interactions energy: -107.993
where: short stacking energy: -43.195
Base-Backbone interact. energy: -0.402
local terms energy: -62.559381
where:
bonds (distance) C4'-P energy: -11.479
bonds (distance) P-C4' energy: -13.610
flat angles C4'-P-C4' energy: -13.527
flat angles P-C4'-P energy: -10.175
tors. eta vs tors. theta energy: -13.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -146.967466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.967466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.967466 (E_RNA)
where:
Base-Base interactions energy: -98.988
where: short stacking energy: -32.119
Base-Backbone interact. energy: -0.579
local terms energy: -47.400186
where:
bonds (distance) C4'-P energy: -8.212
bonds (distance) P-C4' energy: -12.930
flat angles C4'-P-C4' energy: -12.836
flat angles P-C4'-P energy: -7.026
tors. eta vs tors. theta energy: -6.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -163.317519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.317519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.317519 (E_RNA)
where:
Base-Base interactions energy: -106.673
where: short stacking energy: -46.166
Base-Backbone interact. energy: 1.827
local terms energy: -58.471509
where:
bonds (distance) C4'-P energy: -12.573
bonds (distance) P-C4' energy: -6.894
flat angles C4'-P-C4' energy: -14.107
flat angles P-C4'-P energy: -9.030
tors. eta vs tors. theta energy: -15.869
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: 2
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -79.909588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.909588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.909588 (E_RNA)
where:
Base-Base interactions energy: -25.313
where: short stacking energy: -21.795
Base-Backbone interact. energy: -0.090
local terms energy: -54.507186
where:
bonds (distance) C4'-P energy: -12.279
bonds (distance) P-C4' energy: -13.867
flat angles C4'-P-C4' energy: -12.988
flat angles P-C4'-P energy: -9.290
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: 7, replica: 4
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -69.269378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.269378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.269378 (E_RNA)
where:
Base-Base interactions energy: -34.471
where: short stacking energy: -19.516
Base-Backbone interact. energy: 0.013
local terms energy: -34.811742
where:
bonds (distance) C4'-P energy: -9.526
bonds (distance) P-C4' energy: -8.590
flat angles C4'-P-C4' energy: -7.176
flat angles P-C4'-P energy: -2.727
tors. eta vs tors. theta energy: -6.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -62.514372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.514372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.514372 (E_RNA)
where:
Base-Base interactions energy: -25.063
where: short stacking energy: -11.249
Base-Backbone interact. energy: -0.174
local terms energy: -37.277662
where:
bonds (distance) C4'-P energy: -11.563
bonds (distance) P-C4' energy: -12.039
flat angles C4'-P-C4' energy: -1.649
flat angles P-C4'-P energy: -10.203
tors. eta vs tors. theta energy: -1.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -61.981301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.981301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.981301 (E_RNA)
where:
Base-Base interactions energy: -14.190
where: short stacking energy: -13.406
Base-Backbone interact. energy: -0.050
local terms energy: -47.741008
where:
bonds (distance) C4'-P energy: -12.842
bonds (distance) P-C4' energy: -11.172
flat angles C4'-P-C4' energy: -13.037
flat angles P-C4'-P energy: -6.980
tors. eta vs tors. theta energy: -3.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -60.070400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.070400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.070400 (E_RNA)
where:
Base-Base interactions energy: -21.984
where: short stacking energy: -10.351
Base-Backbone interact. energy: -1.146
local terms energy: -36.940093
where:
bonds (distance) C4'-P energy: -9.984
bonds (distance) P-C4' energy: -13.772
flat angles C4'-P-C4' energy: -10.147
flat angles P-C4'-P energy: -8.056
tors. eta vs tors. theta energy: 5.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -183.046240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.046240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.046240 (E_RNA)
where:
Base-Base interactions energy: -120.923
where: short stacking energy: -39.820
Base-Backbone interact. energy: -0.057
local terms energy: -62.066032
where:
bonds (distance) C4'-P energy: -12.452
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -13.215
flat angles P-C4'-P energy: -7.121
tors. eta vs tors. theta energy: -14.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -174.418778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.418778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.418778 (E_RNA)
where:
Base-Base interactions energy: -114.986
where: short stacking energy: -47.643
Base-Backbone interact. energy: -0.247
local terms energy: -59.185634
where:
bonds (distance) C4'-P energy: -10.771
bonds (distance) P-C4' energy: -11.123
flat angles C4'-P-C4' energy: -14.371
flat angles P-C4'-P energy: -8.930
tors. eta vs tors. theta energy: -13.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -175.487919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.487919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.487919 (E_RNA)
where:
Base-Base interactions energy: -113.958
where: short stacking energy: -47.169
Base-Backbone interact. energy: -0.025
local terms energy: -61.504521
where:
bonds (distance) C4'-P energy: -13.645
bonds (distance) P-C4' energy: -9.542
flat angles C4'-P-C4' energy: -13.623
flat angles P-C4'-P energy: -7.806
tors. eta vs tors. theta energy: -16.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -172.662499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.662499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.662499 (E_RNA)
where:
Base-Base interactions energy: -114.614
where: short stacking energy: -43.564
Base-Backbone interact. energy: 0.395
local terms energy: -58.443341
where:
bonds (distance) C4'-P energy: -11.143
bonds (distance) P-C4' energy: -11.992
flat angles C4'-P-C4' energy: -10.368
flat angles P-C4'-P energy: -10.225
tors. eta vs tors. theta energy: -14.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -164.630018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.630018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.630018 (E_RNA)
where:
Base-Base interactions energy: -108.809
where: short stacking energy: -45.368
Base-Backbone interact. energy: -0.057
local terms energy: -55.764564
where:
bonds (distance) C4'-P energy: -11.540
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -9.587
flat angles P-C4'-P energy: -7.552
tors. eta vs tors. theta energy: -13.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -70.392995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.392995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.392995 (E_RNA)
where:
Base-Base interactions energy: -22.497
where: short stacking energy: -21.185
Base-Backbone interact. energy: -0.048
local terms energy: -47.848095
where:
bonds (distance) C4'-P energy: -10.735
bonds (distance) P-C4' energy: -13.477
flat angles C4'-P-C4' energy: -10.479
flat angles P-C4'-P energy: -7.785
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: 7, replica: 2
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -75.144319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.144319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.144319 (E_RNA)
where:
Base-Base interactions energy: -27.933
where: short stacking energy: -16.576
Base-Backbone interact. energy: 0.629
local terms energy: -47.840709
where:
bonds (distance) C4'-P energy: -12.120
bonds (distance) P-C4' energy: -13.574
flat angles C4'-P-C4' energy: -12.554
flat angles P-C4'-P energy: -3.998
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: 5
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -64.975535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.975535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.975535 (E_RNA)
where:
Base-Base interactions energy: -26.485
where: short stacking energy: -12.435
Base-Backbone interact. energy: -0.141
local terms energy: -38.350195
where:
bonds (distance) C4'-P energy: -10.236
bonds (distance) P-C4' energy: -13.572
flat angles C4'-P-C4' energy: -9.671
flat angles P-C4'-P energy: -4.419
tors. eta vs tors. theta energy: -0.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -58.266452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.266452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.266452 (E_RNA)
where:
Base-Base interactions energy: -13.724
where: short stacking energy: -11.411
Base-Backbone interact. energy: -1.085
local terms energy: -43.457437
where:
bonds (distance) C4'-P energy: -10.448
bonds (distance) P-C4' energy: -11.033
flat angles C4'-P-C4' energy: -12.668
flat angles P-C4'-P energy: -8.510
tors. eta vs tors. theta energy: -0.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -63.004115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.004115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.004115 (E_RNA)
where:
Base-Base interactions energy: -29.775
where: short stacking energy: -17.753
Base-Backbone interact. energy: -0.648
local terms energy: -32.581592
where:
bonds (distance) C4'-P energy: -13.888
bonds (distance) P-C4' energy: -9.213
flat angles C4'-P-C4' energy: -11.202
flat angles P-C4'-P energy: -1.798
tors. eta vs tors. theta energy: 3.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -184.723118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.723118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.723118 (E_RNA)
where:
Base-Base interactions energy: -114.447
where: short stacking energy: -42.311
Base-Backbone interact. energy: -0.019
local terms energy: -70.257318
where:
bonds (distance) C4'-P energy: -14.493
bonds (distance) P-C4' energy: -13.567
flat angles C4'-P-C4' energy: -14.272
flat angles P-C4'-P energy: -8.818
tors. eta vs tors. theta energy: -19.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -178.874802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.874802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.874802 (E_RNA)
where:
Base-Base interactions energy: -118.040
where: short stacking energy: -42.283
Base-Backbone interact. energy: -0.149
local terms energy: -60.685362
where:
bonds (distance) C4'-P energy: -12.324
bonds (distance) P-C4' energy: -13.631
flat angles C4'-P-C4' energy: -13.233
flat angles P-C4'-P energy: -6.273
tors. eta vs tors. theta energy: -15.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -178.727006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.727006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.727006 (E_RNA)
where:
Base-Base interactions energy: -117.045
where: short stacking energy: -52.027
Base-Backbone interact. energy: -0.006
local terms energy: -61.676325
where:
bonds (distance) C4'-P energy: -11.215
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -11.615
flat angles P-C4'-P energy: -7.716
tors. eta vs tors. theta energy: -16.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -155.251784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.251784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.251784 (E_RNA)
where:
Base-Base interactions energy: -105.787
where: short stacking energy: -32.614
Base-Backbone interact. energy: 0.562
local terms energy: -50.026856
where:
bonds (distance) C4'-P energy: -11.884
bonds (distance) P-C4' energy: -9.732
flat angles C4'-P-C4' energy: -11.313
flat angles P-C4'-P energy: -7.305
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: 5, replica: 6
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -172.750342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.750342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.750342 (E_RNA)
where:
Base-Base interactions energy: -110.061
where: short stacking energy: -40.612
Base-Backbone interact. energy: -0.005
local terms energy: -62.684279
where:
bonds (distance) C4'-P energy: -11.383
bonds (distance) P-C4' energy: -12.859
flat angles C4'-P-C4' energy: -13.985
flat angles P-C4'-P energy: -8.845
tors. eta vs tors. theta energy: -15.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -74.083579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.083579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.083579 (E_RNA)
where:
Base-Base interactions energy: -20.777
where: short stacking energy: -16.602
Base-Backbone interact. energy: -0.056
local terms energy: -53.250595
where:
bonds (distance) C4'-P energy: -9.687
bonds (distance) P-C4' energy: -12.267
flat angles C4'-P-C4' energy: -13.518
flat angles P-C4'-P energy: -11.913
tors. eta vs tors. theta energy: -5.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -87.011577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.011577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.011577 (E_RNA)
where:
Base-Base interactions energy: -40.367
where: short stacking energy: -23.132
Base-Backbone interact. energy: -0.161
local terms energy: -46.483763
where:
bonds (distance) C4'-P energy: -12.050
bonds (distance) P-C4' energy: -13.920
flat angles C4'-P-C4' energy: -5.410
flat angles P-C4'-P energy: -9.534
tors. eta vs tors. theta energy: -5.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -67.027530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.027530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.027530 (E_RNA)
where:
Base-Base interactions energy: -21.006
where: short stacking energy: -21.006
Base-Backbone interact. energy: -0.035
local terms energy: -45.986680
where:
bonds (distance) C4'-P energy: -11.505
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -13.241
flat angles P-C4'-P energy: -8.693
tors. eta vs tors. theta energy: 0.974
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: 178
Temperature: 1.300000
Total energy: -53.726071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.726071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.726071 (E_RNA)
where:
Base-Base interactions energy: -9.431
where: short stacking energy: -6.664
Base-Backbone interact. energy: -0.134
local terms energy: -44.160769
where:
bonds (distance) C4'-P energy: -13.289
bonds (distance) P-C4' energy: -12.849
flat angles C4'-P-C4' energy: -10.990
flat angles P-C4'-P energy: -9.238
tors. eta vs tors. theta energy: 2.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -56.003096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.003096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.003096 (E_RNA)
where:
Base-Base interactions energy: -18.345
where: short stacking energy: -18.111
Base-Backbone interact. energy: -0.067
local terms energy: -37.591248
where:
bonds (distance) C4'-P energy: -10.395
bonds (distance) P-C4' energy: -12.849
flat angles C4'-P-C4' energy: -10.259
flat angles P-C4'-P energy: -2.016
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: 179
Temperature: 0.900000
Total energy: -183.077037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.077037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.077037 (E_RNA)
where:
Base-Base interactions energy: -121.072
where: short stacking energy: -50.658
Base-Backbone interact. energy: -0.011
local terms energy: -61.994278
where:
bonds (distance) C4'-P energy: -9.833
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -13.998
flat angles P-C4'-P energy: -8.325
tors. eta vs tors. theta energy: -17.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -173.191734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.191734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.191734 (E_RNA)
where:
Base-Base interactions energy: -110.530
where: short stacking energy: -42.607
Base-Backbone interact. energy: -0.263
local terms energy: -62.398939
where:
bonds (distance) C4'-P energy: -13.070
bonds (distance) P-C4' energy: -12.867
flat angles C4'-P-C4' energy: -12.918
flat angles P-C4'-P energy: -9.023
tors. eta vs tors. theta energy: -14.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -178.102175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.102175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.102175 (E_RNA)
where:
Base-Base interactions energy: -116.259
where: short stacking energy: -50.116
Base-Backbone interact. energy: -0.008
local terms energy: -61.835548
where:
bonds (distance) C4'-P energy: -11.560
bonds (distance) P-C4' energy: -13.128
flat angles C4'-P-C4' energy: -11.804
flat angles P-C4'-P energy: -7.512
tors. eta vs tors. theta energy: -17.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -163.095466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.095466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.095466 (E_RNA)
where:
Base-Base interactions energy: -106.439
where: short stacking energy: -36.121
Base-Backbone interact. energy: -0.011
local terms energy: -56.645472
where:
bonds (distance) C4'-P energy: -12.067
bonds (distance) P-C4' energy: -10.070
flat angles C4'-P-C4' energy: -10.404
flat angles P-C4'-P energy: -8.089
tors. eta vs tors. theta energy: -16.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -140.335316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.335316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.335316 (E_RNA)
where:
Base-Base interactions energy: -89.498
where: short stacking energy: -28.737
Base-Backbone interact. energy: -0.046
local terms energy: -50.791269
where:
bonds (distance) C4'-P energy: -12.971
bonds (distance) P-C4' energy: -13.106
flat angles C4'-P-C4' energy: -13.946
flat angles P-C4'-P energy: -3.547
tors. eta vs tors. theta energy: -7.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -75.774933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.774933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.774933 (E_RNA)
where:
Base-Base interactions energy: -29.173
where: short stacking energy: -22.071
Base-Backbone interact. energy: -0.074
local terms energy: -46.527317
where:
bonds (distance) C4'-P energy: -14.028
bonds (distance) P-C4' energy: -12.423
flat angles C4'-P-C4' energy: -12.376
flat angles P-C4'-P energy: -6.467
tors. eta vs tors. theta energy: -1.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -76.537816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.537816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.537816 (E_RNA)
where:
Base-Base interactions energy: -27.250
where: short stacking energy: -23.812
Base-Backbone interact. energy: 0.179
local terms energy: -49.467130
where:
bonds (distance) C4'-P energy: -11.831
bonds (distance) P-C4' energy: -12.716
flat angles C4'-P-C4' energy: -9.800
flat angles P-C4'-P energy: -8.615
tors. eta vs tors. theta energy: -6.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -70.476034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.476034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.476034 (E_RNA)
where:
Base-Base interactions energy: -27.034
where: short stacking energy: -23.095
Base-Backbone interact. energy: -0.205
local terms energy: -43.237449
where:
bonds (distance) C4'-P energy: -10.070
bonds (distance) P-C4' energy: -12.368
flat angles C4'-P-C4' energy: -6.835
flat angles P-C4'-P energy: -9.609
tors. eta vs tors. theta energy: -4.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -73.599646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.599646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.599646 (E_RNA)
where:
Base-Base interactions energy: -29.827
where: short stacking energy: -26.047
Base-Backbone interact. energy: 0.371
local terms energy: -44.143776
where:
bonds (distance) C4'-P energy: -11.077
bonds (distance) P-C4' energy: -9.570
flat angles C4'-P-C4' energy: -10.197
flat angles P-C4'-P energy: -10.695
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: 10, replica: 10
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -62.899306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.899306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.899306 (E_RNA)
where:
Base-Base interactions energy: -14.796
where: short stacking energy: -12.169
Base-Backbone interact. energy: -0.076
local terms energy: -48.026930
where:
bonds (distance) C4'-P energy: -11.992
bonds (distance) P-C4' energy: -11.401
flat angles C4'-P-C4' energy: -12.318
flat angles P-C4'-P energy: -8.298
tors. eta vs tors. theta energy: -4.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -183.243051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.243051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.243051 (E_RNA)
where:
Base-Base interactions energy: -118.938
where: short stacking energy: -51.984
Base-Backbone interact. energy: -0.001
local terms energy: -64.303874
where:
bonds (distance) C4'-P energy: -12.500
bonds (distance) P-C4' energy: -13.705
flat angles C4'-P-C4' energy: -12.431
flat angles P-C4'-P energy: -9.592
tors. eta vs tors. theta energy: -16.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -173.219061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.219061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.219061 (E_RNA)
where:
Base-Base interactions energy: -108.681
where: short stacking energy: -43.108
Base-Backbone interact. energy: -0.030
local terms energy: -64.507275
where:
bonds (distance) C4'-P energy: -12.729
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -11.254
flat angles P-C4'-P energy: -8.256
tors. eta vs tors. theta energy: -18.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -179.481546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.481546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.481546 (E_RNA)
where:
Base-Base interactions energy: -119.572
where: short stacking energy: -42.398
Base-Backbone interact. energy: -0.014
local terms energy: -59.895566
where:
bonds (distance) C4'-P energy: -9.067
bonds (distance) P-C4' energy: -13.634
flat angles C4'-P-C4' energy: -11.355
flat angles P-C4'-P energy: -10.229
tors. eta vs tors. theta energy: -15.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -140.529351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.529351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.529351 (E_RNA)
where:
Base-Base interactions energy: -96.675
where: short stacking energy: -28.306
Base-Backbone interact. energy: 0.198
local terms energy: -44.052812
where:
bonds (distance) C4'-P energy: -14.046
bonds (distance) P-C4' energy: -5.780
flat angles C4'-P-C4' energy: -11.481
flat angles P-C4'-P energy: -4.333
tors. eta vs tors. theta energy: -8.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -136.650926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.650926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.650926 (E_RNA)
where:
Base-Base interactions energy: -82.134
where: short stacking energy: -31.354
Base-Backbone interact. energy: -0.075
local terms energy: -54.442808
where:
bonds (distance) C4'-P energy: -12.006
bonds (distance) P-C4' energy: -12.569
flat angles C4'-P-C4' energy: -11.809
flat angles P-C4'-P energy: -9.615
tors. eta vs tors. theta energy: -8.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -74.520424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.520424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.520424 (E_RNA)
where:
Base-Base interactions energy: -25.927
where: short stacking energy: -21.802
Base-Backbone interact. energy: -0.148
local terms energy: -48.445961
where:
bonds (distance) C4'-P energy: -13.367
bonds (distance) P-C4' energy: -12.229
flat angles C4'-P-C4' energy: -10.384
flat angles P-C4'-P energy: -7.605
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: 7, replica: 8
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -66.037998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.037998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.037998 (E_RNA)
where:
Base-Base interactions energy: -24.439
where: short stacking energy: -15.073
Base-Backbone interact. energy: -0.213
local terms energy: -41.385320
where:
bonds (distance) C4'-P energy: -9.670
bonds (distance) P-C4' energy: -11.926
flat angles C4'-P-C4' energy: -9.830
flat angles P-C4'-P energy: -8.410
tors. eta vs tors. theta energy: -1.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -64.093463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.093463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.093463 (E_RNA)
where:
Base-Base interactions energy: -31.365
where: short stacking energy: -10.111
Base-Backbone interact. energy: 0.692
local terms energy: -33.420738
where:
bonds (distance) C4'-P energy: -8.800
bonds (distance) P-C4' energy: -10.457
flat angles C4'-P-C4' energy: -10.324
flat angles P-C4'-P energy: -4.925
tors. eta vs tors. theta energy: 1.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -59.580051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.580051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.580051 (E_RNA)
where:
Base-Base interactions energy: -27.580
where: short stacking energy: -4.090
Base-Backbone interact. energy: -0.220
local terms energy: -31.780296
where:
bonds (distance) C4'-P energy: -9.705
bonds (distance) P-C4' energy: -11.704
flat angles C4'-P-C4' energy: -10.682
flat angles P-C4'-P energy: -4.077
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: 5
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -53.103980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.103980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.103980 (E_RNA)
where:
Base-Base interactions energy: -15.897
where: short stacking energy: -14.184
Base-Backbone interact. energy: -0.107
local terms energy: -37.099516
where:
bonds (distance) C4'-P energy: -6.614
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -11.359
flat angles P-C4'-P energy: -5.126
tors. eta vs tors. theta energy: -0.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -181.585234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.585234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.585234 (E_RNA)
where:
Base-Base interactions energy: -116.889
where: short stacking energy: -49.523
Base-Backbone interact. energy: -0.012
local terms energy: -64.684114
where:
bonds (distance) C4'-P energy: -12.937
bonds (distance) P-C4' energy: -13.029
flat angles C4'-P-C4' energy: -13.757
flat angles P-C4'-P energy: -8.140
tors. eta vs tors. theta energy: -16.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -177.265339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.265339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.265339 (E_RNA)
where:
Base-Base interactions energy: -117.928
where: short stacking energy: -45.103
Base-Backbone interact. energy: -0.007
local terms energy: -59.329522
where:
bonds (distance) C4'-P energy: -14.323
bonds (distance) P-C4' energy: -13.343
flat angles C4'-P-C4' energy: -9.514
flat angles P-C4'-P energy: -8.470
tors. eta vs tors. theta energy: -13.680
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: 181
Temperature: 1.000000
Total energy: -172.511852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.511852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.511852 (E_RNA)
where:
Base-Base interactions energy: -104.855
where: short stacking energy: -44.987
Base-Backbone interact. energy: -0.361
local terms energy: -67.296047
where:
bonds (distance) C4'-P energy: -13.648
bonds (distance) P-C4' energy: -14.220
flat angles C4'-P-C4' energy: -12.357
flat angles P-C4'-P energy: -10.039
tors. eta vs tors. theta energy: -17.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -164.916836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.916836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.916836 (E_RNA)
where:
Base-Base interactions energy: -105.335
where: short stacking energy: -41.566
Base-Backbone interact. energy: -0.001
local terms energy: -59.581250
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -10.056
flat angles C4'-P-C4' energy: -13.239
flat angles P-C4'-P energy: -7.781
tors. eta vs tors. theta energy: -13.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -150.444151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.444151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.444151 (E_RNA)
where:
Base-Base interactions energy: -90.951
where: short stacking energy: -37.391
Base-Backbone interact. energy: -0.128
local terms energy: -59.365247
where:
bonds (distance) C4'-P energy: -13.470
bonds (distance) P-C4' energy: -12.709
flat angles C4'-P-C4' energy: -12.112
flat angles P-C4'-P energy: -7.744
tors. eta vs tors. theta energy: -13.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -78.300024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.300024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.300024 (E_RNA)
where:
Base-Base interactions energy: -38.445
where: short stacking energy: -15.288
Base-Backbone interact. energy: 0.503
local terms energy: -40.358249
where:
bonds (distance) C4'-P energy: -10.683
bonds (distance) P-C4' energy: -11.961
flat angles C4'-P-C4' energy: -8.927
flat angles P-C4'-P energy: -7.579
tors. eta vs tors. theta energy: -1.208
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: 2
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -68.927793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.927793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.927793 (E_RNA)
where:
Base-Base interactions energy: -33.928
where: short stacking energy: -14.022
Base-Backbone interact. energy: -0.085
local terms energy: -34.915270
where:
bonds (distance) C4'-P energy: -9.152
bonds (distance) P-C4' energy: -11.947
flat angles C4'-P-C4' energy: -6.068
flat angles P-C4'-P energy: -5.862
tors. eta vs tors. theta energy: -1.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -63.360296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.360296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.360296 (E_RNA)
where:
Base-Base interactions energy: -28.997
where: short stacking energy: -28.997
Base-Backbone interact. energy: 1.949
local terms energy: -36.311772
where:
bonds (distance) C4'-P energy: -9.525
bonds (distance) P-C4' energy: -10.305
flat angles C4'-P-C4' energy: -5.792
flat angles P-C4'-P energy: -3.430
tors. eta vs tors. theta energy: -7.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -70.687964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.687964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.687964 (E_RNA)
where:
Base-Base interactions energy: -23.291
where: short stacking energy: -22.792
Base-Backbone interact. energy: -0.151
local terms energy: -47.246205
where:
bonds (distance) C4'-P energy: -10.568
bonds (distance) P-C4' energy: -10.324
flat angles C4'-P-C4' energy: -9.899
flat angles P-C4'-P energy: -8.959
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: 10, replica: 5
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -54.022046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.022046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.022046 (E_RNA)
where:
Base-Base interactions energy: -15.412
where: short stacking energy: -15.202
Base-Backbone interact. energy: -0.132
local terms energy: -38.478161
where:
bonds (distance) C4'-P energy: -11.443
bonds (distance) P-C4' energy: -8.143
flat angles C4'-P-C4' energy: -11.120
flat angles P-C4'-P energy: -7.080
tors. eta vs tors. theta energy: -0.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -180.046047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.046047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.046047 (E_RNA)
where:
Base-Base interactions energy: -116.087
where: short stacking energy: -40.466
Base-Backbone interact. energy: -0.034
local terms energy: -63.924556
where:
bonds (distance) C4'-P energy: -12.411
bonds (distance) P-C4' energy: -14.674
flat angles C4'-P-C4' energy: -12.571
flat angles P-C4'-P energy: -8.941
tors. eta vs tors. theta energy: -15.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -180.178126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.178126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.178126 (E_RNA)
where:
Base-Base interactions energy: -123.195
where: short stacking energy: -47.014
Base-Backbone interact. energy: -0.003
local terms energy: -56.980541
where:
bonds (distance) C4'-P energy: -13.388
bonds (distance) P-C4' energy: -9.727
flat angles C4'-P-C4' energy: -12.190
flat angles P-C4'-P energy: -6.139
tors. eta vs tors. theta energy: -15.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -175.808777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.808777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.808777 (E_RNA)
where:
Base-Base interactions energy: -118.784
where: short stacking energy: -47.525
Base-Backbone interact. energy: -0.389
local terms energy: -56.635956
where:
bonds (distance) C4'-P energy: -8.295
bonds (distance) P-C4' energy: -11.219
flat angles C4'-P-C4' energy: -12.086
flat angles P-C4'-P energy: -10.215
tors. eta vs tors. theta energy: -14.822
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: 182
Temperature: 1.050000
Total energy: -132.775474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.775474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.775474 (E_RNA)
where:
Base-Base interactions energy: -83.874
where: short stacking energy: -28.798
Base-Backbone interact. energy: -0.062
local terms energy: -48.839613
where:
bonds (distance) C4'-P energy: -10.494
bonds (distance) P-C4' energy: -12.708
flat angles C4'-P-C4' energy: -12.676
flat angles P-C4'-P energy: -4.080
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: 182
Temperature: 1.100000
Total energy: -166.113202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.113202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.113202 (E_RNA)
where:
Base-Base interactions energy: -106.248
where: short stacking energy: -42.290
Base-Backbone interact. energy: -0.033
local terms energy: -59.832081
where:
bonds (distance) C4'-P energy: -13.764
bonds (distance) P-C4' energy: -10.404
flat angles C4'-P-C4' energy: -11.834
flat angles P-C4'-P energy: -8.667
tors. eta vs tors. theta energy: -15.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -66.147952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.147952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.147952 (E_RNA)
where:
Base-Base interactions energy: -18.985
where: short stacking energy: -17.748
Base-Backbone interact. energy: -0.004
local terms energy: -47.158690
where:
bonds (distance) C4'-P energy: -11.313
bonds (distance) P-C4' energy: -13.579
flat angles C4'-P-C4' energy: -9.645
flat angles P-C4'-P energy: -6.734
tors. eta vs tors. theta energy: -5.887
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: 182
Temperature: 1.200000
Total energy: -75.190736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.190736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.190736 (E_RNA)
where:
Base-Base interactions energy: -29.954
where: short stacking energy: -15.492
Base-Backbone interact. energy: -0.241
local terms energy: -44.996001
where:
bonds (distance) C4'-P energy: -11.300
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -13.131
flat angles P-C4'-P energy: -10.719
tors. eta vs tors. theta energy: 2.795
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: 182
Temperature: 1.250000
Total energy: -58.798517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.798517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.798517 (E_RNA)
where:
Base-Base interactions energy: -20.356
where: short stacking energy: -20.356
Base-Backbone interact. energy: -0.001
local terms energy: -38.442404
where:
bonds (distance) C4'-P energy: -6.196
bonds (distance) P-C4' energy: -12.966
flat angles C4'-P-C4' energy: -7.987
flat angles P-C4'-P energy: -8.626
tors. eta vs tors. theta energy: -2.667
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: 5
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -63.370892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.370892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.370892 (E_RNA)
where:
Base-Base interactions energy: -24.438
where: short stacking energy: -6.917
Base-Backbone interact. energy: -1.426
local terms energy: -37.506321
where:
bonds (distance) C4'-P energy: -14.546
bonds (distance) P-C4' energy: -15.820
flat angles C4'-P-C4' energy: -3.204
flat angles P-C4'-P energy: -5.859
tors. eta vs tors. theta energy: 1.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -59.480162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.480162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.480162 (E_RNA)
where:
Base-Base interactions energy: -19.351
where: short stacking energy: -12.032
Base-Backbone interact. energy: -0.295
local terms energy: -39.834708
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -13.036
flat angles C4'-P-C4' energy: -7.878
flat angles P-C4'-P energy: -4.123
tors. eta vs tors. theta energy: -0.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -179.789255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.789255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.789255 (E_RNA)
where:
Base-Base interactions energy: -116.326
where: short stacking energy: -47.224
Base-Backbone interact. energy: -0.000
local terms energy: -63.463374
where:
bonds (distance) C4'-P energy: -12.933
bonds (distance) P-C4' energy: -11.144
flat angles C4'-P-C4' energy: -13.768
flat angles P-C4'-P energy: -10.316
tors. eta vs tors. theta energy: -15.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -180.070164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.070164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.070164 (E_RNA)
where:
Base-Base interactions energy: -115.939
where: short stacking energy: -46.967
Base-Backbone interact. energy: -0.003
local terms energy: -64.127542
where:
bonds (distance) C4'-P energy: -14.021
bonds (distance) P-C4' energy: -12.387
flat angles C4'-P-C4' energy: -12.967
flat angles P-C4'-P energy: -9.543
tors. eta vs tors. theta energy: -15.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -171.945133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.945133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.945133 (E_RNA)
where:
Base-Base interactions energy: -109.556
where: short stacking energy: -45.860
Base-Backbone interact. energy: -0.006
local terms energy: -62.383594
where:
bonds (distance) C4'-P energy: -11.368
bonds (distance) P-C4' energy: -10.387
flat angles C4'-P-C4' energy: -14.781
flat angles P-C4'-P energy: -7.322
tors. eta vs tors. theta energy: -18.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -167.229714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.229714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.229714 (E_RNA)
where:
Base-Base interactions energy: -110.202
where: short stacking energy: -39.731
Base-Backbone interact. energy: -0.059
local terms energy: -56.969208
where:
bonds (distance) C4'-P energy: -11.329
bonds (distance) P-C4' energy: -13.018
flat angles C4'-P-C4' energy: -10.066
flat angles P-C4'-P energy: -6.441
tors. eta vs tors. theta energy: -16.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -139.024316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.024316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.024316 (E_RNA)
where:
Base-Base interactions energy: -84.560
where: short stacking energy: -33.561
Base-Backbone interact. energy: -0.117
local terms energy: -54.347409
where:
bonds (distance) C4'-P energy: -9.376
bonds (distance) P-C4' energy: -12.788
flat angles C4'-P-C4' energy: -13.795
flat angles P-C4'-P energy: -10.868
tors. eta vs tors. theta energy: -7.520
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: 6, replica: 10
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -64.178394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.178394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.178394 (E_RNA)
where:
Base-Base interactions energy: -21.550
where: short stacking energy: -20.464
Base-Backbone interact. energy: -0.052
local terms energy: -42.576826
where:
bonds (distance) C4'-P energy: -10.246
bonds (distance) P-C4' energy: -7.910
flat angles C4'-P-C4' energy: -12.507
flat angles P-C4'-P energy: -7.086
tors. eta vs tors. theta energy: -4.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -68.425645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.425645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.425645 (E_RNA)
where:
Base-Base interactions energy: -22.498
where: short stacking energy: -18.499
Base-Backbone interact. energy: -0.007
local terms energy: -45.920486
where:
bonds (distance) C4'-P energy: -12.261
bonds (distance) P-C4' energy: -13.308
flat angles C4'-P-C4' energy: -11.623
flat angles P-C4'-P energy: -7.541
tors. eta vs tors. theta energy: -1.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -79.879504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.879504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.879504 (E_RNA)
where:
Base-Base interactions energy: -43.080
where: short stacking energy: -19.174
Base-Backbone interact. energy: 0.254
local terms energy: -37.053299
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -9.707
flat angles C4'-P-C4' energy: -5.226
flat angles P-C4'-P energy: -7.257
tors. eta vs tors. theta energy: -1.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -58.832690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.832690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.832690 (E_RNA)
where:
Base-Base interactions energy: -32.884
where: short stacking energy: -10.454
Base-Backbone interact. energy: 0.930
local terms energy: -26.878705
where:
bonds (distance) C4'-P energy: -11.305
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -5.793
flat angles P-C4'-P energy: -1.539
tors. eta vs tors. theta energy: 5.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -59.407098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.407098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.407098 (E_RNA)
where:
Base-Base interactions energy: -17.710
where: short stacking energy: -8.473
Base-Backbone interact. energy: -0.071
local terms energy: -41.626730
where:
bonds (distance) C4'-P energy: -12.111
bonds (distance) P-C4' energy: -13.490
flat angles C4'-P-C4' energy: -7.691
flat angles P-C4'-P energy: -8.919
tors. eta vs tors. theta energy: 0.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -183.166919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.166919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.166919 (E_RNA)
where:
Base-Base interactions energy: -118.781
where: short stacking energy: -48.768
Base-Backbone interact. energy: -0.001
local terms energy: -64.385256
where:
bonds (distance) C4'-P energy: -12.075
bonds (distance) P-C4' energy: -13.054
flat angles C4'-P-C4' energy: -12.868
flat angles P-C4'-P energy: -10.518
tors. eta vs tors. theta energy: -15.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -173.236934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.236934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.236934 (E_RNA)
where:
Base-Base interactions energy: -115.310
where: short stacking energy: -48.268
Base-Backbone interact. energy: -0.003
local terms energy: -57.923769
where:
bonds (distance) C4'-P energy: -10.275
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -10.140
flat angles P-C4'-P energy: -7.318
tors. eta vs tors. theta energy: -15.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -170.408430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.408430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.408430 (E_RNA)
where:
Base-Base interactions energy: -117.059
where: short stacking energy: -48.436
Base-Backbone interact. energy: -0.065
local terms energy: -53.284779
where:
bonds (distance) C4'-P energy: -11.511
bonds (distance) P-C4' energy: -11.267
flat angles C4'-P-C4' energy: -8.192
flat angles P-C4'-P energy: -6.491
tors. eta vs tors. theta energy: -15.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -166.815336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.815336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.815336 (E_RNA)
where:
Base-Base interactions energy: -110.456
where: short stacking energy: -40.306
Base-Backbone interact. energy: -0.168
local terms energy: -56.190977
where:
bonds (distance) C4'-P energy: -12.406
bonds (distance) P-C4' energy: -14.259
flat angles C4'-P-C4' energy: -11.455
flat angles P-C4'-P energy: -3.869
tors. eta vs tors. theta energy: -14.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -161.485111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.485111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.485111 (E_RNA)
where:
Base-Base interactions energy: -108.879
where: short stacking energy: -36.907
Base-Backbone interact. energy: -0.067
local terms energy: -52.538822
where:
bonds (distance) C4'-P energy: -9.297
bonds (distance) P-C4' energy: -10.988
flat angles C4'-P-C4' energy: -9.785
flat angles P-C4'-P energy: -9.816
tors. eta vs tors. theta energy: -12.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -76.494272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.494272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.494272 (E_RNA)
where:
Base-Base interactions energy: -32.240
where: short stacking energy: -17.280
Base-Backbone interact. energy: -0.140
local terms energy: -44.113661
where:
bonds (distance) C4'-P energy: -9.512
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -13.246
flat angles P-C4'-P energy: -2.930
tors. eta vs tors. theta energy: -5.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -63.848683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.848683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.848683 (E_RNA)
where:
Base-Base interactions energy: -24.212
where: short stacking energy: -22.207
Base-Backbone interact. energy: -0.026
local terms energy: -39.610675
where:
bonds (distance) C4'-P energy: -8.117
bonds (distance) P-C4' energy: -13.511
flat angles C4'-P-C4' energy: -11.668
flat angles P-C4'-P energy: -2.399
tors. eta vs tors. theta energy: -3.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -60.312500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.312500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.312500 (E_RNA)
where:
Base-Base interactions energy: -20.618
where: short stacking energy: -15.757
Base-Backbone interact. energy: -0.291
local terms energy: -39.403387
where:
bonds (distance) C4'-P energy: -6.235
bonds (distance) P-C4' energy: -11.753
flat angles C4'-P-C4' energy: -10.002
flat angles P-C4'-P energy: -7.096
tors. eta vs tors. theta energy: -4.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -59.702021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.702021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.702021 (E_RNA)
where:
Base-Base interactions energy: -25.530
where: short stacking energy: -11.361
Base-Backbone interact. energy: -0.145
local terms energy: -34.027485
where:
bonds (distance) C4'-P energy: -11.889
bonds (distance) P-C4' energy: -10.414
flat angles C4'-P-C4' energy: -9.255
flat angles P-C4'-P energy: -5.253
tors. eta vs tors. theta energy: 2.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -56.683935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.683935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.683935 (E_RNA)
where:
Base-Base interactions energy: -20.517
where: short stacking energy: -13.233
Base-Backbone interact. energy: 0.474
local terms energy: -36.640648
where:
bonds (distance) C4'-P energy: -10.059
bonds (distance) P-C4' energy: -11.524
flat angles C4'-P-C4' energy: -10.228
flat angles P-C4'-P energy: -9.576
tors. eta vs tors. theta energy: 4.746
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: 1, replica: 3
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -182.897267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.897267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.897267 (E_RNA)
where:
Base-Base interactions energy: -116.579
where: short stacking energy: -43.867
Base-Backbone interact. energy: -0.003
local terms energy: -66.315158
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -10.822
flat angles P-C4'-P energy: -10.929
tors. eta vs tors. theta energy: -17.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -177.240017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.240017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.240017 (E_RNA)
where:
Base-Base interactions energy: -114.275
where: short stacking energy: -43.148
Base-Backbone interact. energy: -0.002
local terms energy: -62.963118
where:
bonds (distance) C4'-P energy: -13.636
bonds (distance) P-C4' energy: -11.816
flat angles C4'-P-C4' energy: -15.034
flat angles P-C4'-P energy: -7.253
tors. eta vs tors. theta energy: -15.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -170.035851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.035851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.035851 (E_RNA)
where:
Base-Base interactions energy: -118.280
where: short stacking energy: -48.618
Base-Backbone interact. energy: -0.016
local terms energy: -51.739577
where:
bonds (distance) C4'-P energy: -7.148
bonds (distance) P-C4' energy: -9.656
flat angles C4'-P-C4' energy: -13.714
flat angles P-C4'-P energy: -8.127
tors. eta vs tors. theta energy: -13.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -176.917664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.917664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.917664 (E_RNA)
where:
Base-Base interactions energy: -115.832
where: short stacking energy: -46.118
Base-Backbone interact. energy: -0.025
local terms energy: -61.060612
where:
bonds (distance) C4'-P energy: -9.194
bonds (distance) P-C4' energy: -13.800
flat angles C4'-P-C4' energy: -13.295
flat angles P-C4'-P energy: -7.937
tors. eta vs tors. theta energy: -16.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -150.678155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.678155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.678155 (E_RNA)
where:
Base-Base interactions energy: -97.828
where: short stacking energy: -42.634
Base-Backbone interact. energy: -0.174
local terms energy: -52.675815
where:
bonds (distance) C4'-P energy: -10.436
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -9.941
flat angles P-C4'-P energy: -7.136
tors. eta vs tors. theta energy: -11.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -69.802178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.802178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.802178 (E_RNA)
where:
Base-Base interactions energy: -27.566
where: short stacking energy: -14.546
Base-Backbone interact. energy: -0.121
local terms energy: -42.115079
where:
bonds (distance) C4'-P energy: -12.332
bonds (distance) P-C4' energy: -12.416
flat angles C4'-P-C4' energy: -10.848
flat angles P-C4'-P energy: -3.188
tors. eta vs tors. theta energy: -3.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -68.356913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.356913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.356913 (E_RNA)
where:
Base-Base interactions energy: -30.507
where: short stacking energy: -18.625
Base-Backbone interact. energy: -0.218
local terms energy: -37.632027
where:
bonds (distance) C4'-P energy: -11.198
bonds (distance) P-C4' energy: -12.110
flat angles C4'-P-C4' energy: -10.824
flat angles P-C4'-P energy: -3.633
tors. eta vs tors. theta energy: 0.134
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: 2
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -63.974446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.974446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.974446 (E_RNA)
where:
Base-Base interactions energy: -24.896
where: short stacking energy: -16.463
Base-Backbone interact. energy: -0.195
local terms energy: -38.884036
where:
bonds (distance) C4'-P energy: -11.152
bonds (distance) P-C4' energy: -8.101
flat angles C4'-P-C4' energy: -10.919
flat angles P-C4'-P energy: -5.548
tors. eta vs tors. theta energy: -3.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -60.491209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.491209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.491209 (E_RNA)
where:
Base-Base interactions energy: -17.990
where: short stacking energy: -13.057
Base-Backbone interact. energy: -0.027
local terms energy: -42.474153
where:
bonds (distance) C4'-P energy: -12.754
bonds (distance) P-C4' energy: -10.703
flat angles C4'-P-C4' energy: -9.270
flat angles P-C4'-P energy: -7.648
tors. eta vs tors. theta energy: -2.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -61.585344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.585344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.585344 (E_RNA)
where:
Base-Base interactions energy: -23.675
where: short stacking energy: -12.168
Base-Backbone interact. energy: -0.007
local terms energy: -37.903633
where:
bonds (distance) C4'-P energy: -12.199
bonds (distance) P-C4' energy: -14.674
flat angles C4'-P-C4' energy: -8.206
flat angles P-C4'-P energy: -5.158
tors. eta vs tors. theta energy: 2.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -181.428073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.428073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.428073 (E_RNA)
where:
Base-Base interactions energy: -115.996
where: short stacking energy: -47.265
Base-Backbone interact. energy: -0.045
local terms energy: -65.387463
where:
bonds (distance) C4'-P energy: -11.826
bonds (distance) P-C4' energy: -13.991
flat angles C4'-P-C4' energy: -12.342
flat angles P-C4'-P energy: -10.575
tors. eta vs tors. theta energy: -16.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -178.305385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.305385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.305385 (E_RNA)
where:
Base-Base interactions energy: -113.012
where: short stacking energy: -47.112
Base-Backbone interact. energy: -0.013
local terms energy: -65.280375
where:
bonds (distance) C4'-P energy: -13.019
bonds (distance) P-C4' energy: -13.156
flat angles C4'-P-C4' energy: -13.517
flat angles P-C4'-P energy: -9.597
tors. eta vs tors. theta energy: -15.990
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: 3, replica: 7
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -169.293944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.293944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.293944 (E_RNA)
where:
Base-Base interactions energy: -105.621
where: short stacking energy: -43.195
Base-Backbone interact. energy: -0.181
local terms energy: -63.492390
where:
bonds (distance) C4'-P energy: -13.442
bonds (distance) P-C4' energy: -13.378
flat angles C4'-P-C4' energy: -12.647
flat angles P-C4'-P energy: -6.332
tors. eta vs tors. theta energy: -17.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -174.675340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.675340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.675340 (E_RNA)
where:
Base-Base interactions energy: -115.884
where: short stacking energy: -50.213
Base-Backbone interact. energy: -0.009
local terms energy: -58.782527
where:
bonds (distance) C4'-P energy: -11.343
bonds (distance) P-C4' energy: -10.619
flat angles C4'-P-C4' energy: -12.426
flat angles P-C4'-P energy: -9.289
tors. eta vs tors. theta energy: -15.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -158.995149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.995149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.995149 (E_RNA)
where:
Base-Base interactions energy: -103.149
where: short stacking energy: -41.977
Base-Backbone interact. energy: -0.003
local terms energy: -55.843956
where:
bonds (distance) C4'-P energy: -10.779
bonds (distance) P-C4' energy: -10.612
flat angles C4'-P-C4' energy: -12.579
flat angles P-C4'-P energy: -9.227
tors. eta vs tors. theta energy: -12.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -65.819666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.819666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.819666 (E_RNA)
where:
Base-Base interactions energy: -20.352
where: short stacking energy: -20.352
Base-Backbone interact. energy: -0.193
local terms energy: -45.274585
where:
bonds (distance) C4'-P energy: -8.311
bonds (distance) P-C4' energy: -9.606
flat angles C4'-P-C4' energy: -11.233
flat angles P-C4'-P energy: -9.633
tors. eta vs tors. theta energy: -6.491
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: 7, replica: 2
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -59.461428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.461428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.461428 (E_RNA)
where:
Base-Base interactions energy: -21.809
where: short stacking energy: -14.576
Base-Backbone interact. energy: -0.065
local terms energy: -37.587487
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -10.554
flat angles C4'-P-C4' energy: -8.505
flat angles P-C4'-P energy: -4.132
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: 8, replica: 10
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -68.007553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.007553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.007553 (E_RNA)
where:
Base-Base interactions energy: -17.861
where: short stacking energy: -17.861
Base-Backbone interact. energy: -0.028
local terms energy: -50.118148
where:
bonds (distance) C4'-P energy: -10.805
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -12.352
flat angles P-C4'-P energy: -7.210
tors. eta vs tors. theta energy: -5.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -65.287286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.287286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.287286 (E_RNA)
where:
Base-Base interactions energy: -19.013
where: short stacking energy: -12.730
Base-Backbone interact. energy: -0.233
local terms energy: -46.041476
where:
bonds (distance) C4'-P energy: -10.555
bonds (distance) P-C4' energy: -11.204
flat angles C4'-P-C4' energy: -12.630
flat angles P-C4'-P energy: -7.516
tors. eta vs tors. theta energy: -4.137
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: 5
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -67.920421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.920421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.920421 (E_RNA)
where:
Base-Base interactions energy: -38.030
where: short stacking energy: -16.469
Base-Backbone interact. energy: -0.624
local terms energy: -29.265799
where:
bonds (distance) C4'-P energy: -9.226
bonds (distance) P-C4' energy: -8.891
flat angles C4'-P-C4' energy: -11.062
flat angles P-C4'-P energy: -4.267
tors. eta vs tors. theta energy: 4.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -180.371703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.371703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.371703 (E_RNA)
where:
Base-Base interactions energy: -115.877
where: short stacking energy: -45.087
Base-Backbone interact. energy: -0.004
local terms energy: -64.491146
where:
bonds (distance) C4'-P energy: -13.976
bonds (distance) P-C4' energy: -13.500
flat angles C4'-P-C4' energy: -12.489
flat angles P-C4'-P energy: -7.534
tors. eta vs tors. theta energy: -16.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -175.237504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.237504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.237504 (E_RNA)
where:
Base-Base interactions energy: -121.820
where: short stacking energy: -42.659
Base-Backbone interact. energy: -0.371
local terms energy: -53.046681
where:
bonds (distance) C4'-P energy: -13.222
bonds (distance) P-C4' energy: -7.997
flat angles C4'-P-C4' energy: -4.061
flat angles P-C4'-P energy: -11.406
tors. eta vs tors. theta energy: -16.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -176.073837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.073837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.073837 (E_RNA)
where:
Base-Base interactions energy: -114.301
where: short stacking energy: -45.056
Base-Backbone interact. energy: -0.000
local terms energy: -61.772916
where:
bonds (distance) C4'-P energy: -10.913
bonds (distance) P-C4' energy: -12.263
flat angles C4'-P-C4' energy: -12.464
flat angles P-C4'-P energy: -8.990
tors. eta vs tors. theta energy: -17.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -168.665805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.665805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.665805 (E_RNA)
where:
Base-Base interactions energy: -113.453
where: short stacking energy: -39.283
Base-Backbone interact. energy: -0.035
local terms energy: -55.178444
where:
bonds (distance) C4'-P energy: -13.639
bonds (distance) P-C4' energy: -9.960
flat angles C4'-P-C4' energy: -9.535
flat angles P-C4'-P energy: -8.481
tors. eta vs tors. theta energy: -13.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -169.442699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.442699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.442699 (E_RNA)
where:
Base-Base interactions energy: -111.877
where: short stacking energy: -46.383
Base-Backbone interact. energy: -1.024
local terms energy: -56.541133
where:
bonds (distance) C4'-P energy: -7.226
bonds (distance) P-C4' energy: -14.297
flat angles C4'-P-C4' energy: -9.663
flat angles P-C4'-P energy: -9.528
tors. eta vs tors. theta energy: -15.827
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: 2
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -63.662939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.662939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.662939 (E_RNA)
where:
Base-Base interactions energy: -19.584
where: short stacking energy: -19.584
Base-Backbone interact. energy: -0.417
local terms energy: -43.661854
where:
bonds (distance) C4'-P energy: -6.912
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -8.326
flat angles P-C4'-P energy: -7.532
tors. eta vs tors. theta energy: -6.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -70.352227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.352227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.352227 (E_RNA)
where:
Base-Base interactions energy: -29.195
where: short stacking energy: -22.360
Base-Backbone interact. energy: 0.178
local terms energy: -41.335149
where:
bonds (distance) C4'-P energy: -11.551
bonds (distance) P-C4' energy: -14.900
flat angles C4'-P-C4' energy: -9.651
flat angles P-C4'-P energy: -3.288
tors. eta vs tors. theta energy: -1.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -66.586705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.586705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.586705 (E_RNA)
where:
Base-Base interactions energy: -31.570
where: short stacking energy: -13.500
Base-Backbone interact. energy: -0.108
local terms energy: -34.908612
where:
bonds (distance) C4'-P energy: -14.526
bonds (distance) P-C4' energy: -7.265
flat angles C4'-P-C4' energy: -2.453
flat angles P-C4'-P energy: -6.597
tors. eta vs tors. theta energy: -4.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -55.927662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.927662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.927662 (E_RNA)
where:
Base-Base interactions energy: -23.836
where: short stacking energy: -17.291
Base-Backbone interact. energy: -0.366
local terms energy: -31.725096
where:
bonds (distance) C4'-P energy: -6.920
bonds (distance) P-C4' energy: -11.680
flat angles C4'-P-C4' energy: -10.694
flat angles P-C4'-P energy: -4.102
tors. eta vs tors. theta energy: 1.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -63.690776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.690776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.690776 (E_RNA)
where:
Base-Base interactions energy: -26.631
where: short stacking energy: -8.755
Base-Backbone interact. energy: 0.092
local terms energy: -37.151086
where:
bonds (distance) C4'-P energy: -10.925
bonds (distance) P-C4' energy: -11.004
flat angles C4'-P-C4' energy: -9.531
flat angles P-C4'-P energy: -8.696
tors. eta vs tors. theta energy: 3.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -183.030977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.030977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.030977 (E_RNA)
where:
Base-Base interactions energy: -124.078
where: short stacking energy: -48.452
Base-Backbone interact. energy: -0.025
local terms energy: -58.927200
where:
bonds (distance) C4'-P energy: -12.842
bonds (distance) P-C4' energy: -11.729
flat angles C4'-P-C4' energy: -12.169
flat angles P-C4'-P energy: -7.043
tors. eta vs tors. theta energy: -15.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -183.195119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.195119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.195119 (E_RNA)
where:
Base-Base interactions energy: -120.422
where: short stacking energy: -46.688
Base-Backbone interact. energy: -0.033
local terms energy: -62.739935
where:
bonds (distance) C4'-P energy: -13.905
bonds (distance) P-C4' energy: -8.588
flat angles C4'-P-C4' energy: -12.695
flat angles P-C4'-P energy: -9.189
tors. eta vs tors. theta energy: -18.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -174.515459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.515459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.515459 (E_RNA)
where:
Base-Base interactions energy: -109.571
where: short stacking energy: -45.864
Base-Backbone interact. energy: -0.013
local terms energy: -64.931381
where:
bonds (distance) C4'-P energy: -14.456
bonds (distance) P-C4' energy: -13.239
flat angles C4'-P-C4' energy: -14.356
flat angles P-C4'-P energy: -8.814
tors. eta vs tors. theta energy: -14.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -172.334296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.334296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.334296 (E_RNA)
where:
Base-Base interactions energy: -109.732
where: short stacking energy: -35.406
Base-Backbone interact. energy: -0.490
local terms energy: -62.111667
where:
bonds (distance) C4'-P energy: -14.012
bonds (distance) P-C4' energy: -11.242
flat angles C4'-P-C4' energy: -13.680
flat angles P-C4'-P energy: -8.834
tors. eta vs tors. theta energy: -14.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -167.895696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.895696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.895696 (E_RNA)
where:
Base-Base interactions energy: -113.414
where: short stacking energy: -45.589
Base-Backbone interact. energy: 0.267
local terms energy: -54.748667
where:
bonds (distance) C4'-P energy: -5.530
bonds (distance) P-C4' energy: -11.219
flat angles C4'-P-C4' energy: -12.709
flat angles P-C4'-P energy: -9.081
tors. eta vs tors. theta energy: -16.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -72.267493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.267493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.267493 (E_RNA)
where:
Base-Base interactions energy: -30.092
where: short stacking energy: -28.157
Base-Backbone interact. energy: -0.287
local terms energy: -41.887756
where:
bonds (distance) C4'-P energy: -10.360
bonds (distance) P-C4' energy: -7.948
flat angles C4'-P-C4' energy: -12.474
flat angles P-C4'-P energy: -3.932
tors. eta vs tors. theta energy: -7.174
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: 8
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -68.210441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.210441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.210441 (E_RNA)
where:
Base-Base interactions energy: -19.307
where: short stacking energy: -19.307
Base-Backbone interact. energy: -0.031
local terms energy: -48.872736
where:
bonds (distance) C4'-P energy: -12.299
bonds (distance) P-C4' energy: -13.546
flat angles C4'-P-C4' energy: -9.867
flat angles P-C4'-P energy: -8.522
tors. eta vs tors. theta energy: -4.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -66.343185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.343185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.343185 (E_RNA)
where:
Base-Base interactions energy: -32.795
where: short stacking energy: -15.728
Base-Backbone interact. energy: -0.165
local terms energy: -33.382863
where:
bonds (distance) C4'-P energy: -10.329
bonds (distance) P-C4' energy: -8.871
flat angles C4'-P-C4' energy: -9.912
flat angles P-C4'-P energy: -5.984
tors. eta vs tors. theta energy: 1.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -57.875610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.875610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.875610 (E_RNA)
where:
Base-Base interactions energy: -18.656
where: short stacking energy: -7.101
Base-Backbone interact. energy: -0.366
local terms energy: -38.853255
where:
bonds (distance) C4'-P energy: -10.767
bonds (distance) P-C4' energy: -11.935
flat angles C4'-P-C4' energy: -7.413
flat angles P-C4'-P energy: -6.244
tors. eta vs tors. theta energy: -2.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -52.005674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.005674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.005674 (E_RNA)
where:
Base-Base interactions energy: -19.624
where: short stacking energy: -9.705
Base-Backbone interact. energy: -0.113
local terms energy: -32.267912
where:
bonds (distance) C4'-P energy: -11.357
bonds (distance) P-C4' energy: -11.423
flat angles C4'-P-C4' energy: -7.001
flat angles P-C4'-P energy: -6.668
tors. eta vs tors. theta energy: 4.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -176.300668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.300668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.300668 (E_RNA)
where:
Base-Base interactions energy: -112.403
where: short stacking energy: -44.050
Base-Backbone interact. energy: -0.177
local terms energy: -63.720056
where:
bonds (distance) C4'-P energy: -13.806
bonds (distance) P-C4' energy: -11.926
flat angles C4'-P-C4' energy: -14.128
flat angles P-C4'-P energy: -7.998
tors. eta vs tors. theta energy: -15.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -180.613191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.613191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.613191 (E_RNA)
where:
Base-Base interactions energy: -119.563
where: short stacking energy: -45.323
Base-Backbone interact. energy: -0.045
local terms energy: -61.004912
where:
bonds (distance) C4'-P energy: -10.046
bonds (distance) P-C4' energy: -13.078
flat angles C4'-P-C4' energy: -13.735
flat angles P-C4'-P energy: -9.333
tors. eta vs tors. theta energy: -14.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -174.946990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.946990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.946990 (E_RNA)
where:
Base-Base interactions energy: -109.379
where: short stacking energy: -44.963
Base-Backbone interact. energy: -0.007
local terms energy: -65.560876
where:
bonds (distance) C4'-P energy: -13.040
bonds (distance) P-C4' energy: -13.991
flat angles C4'-P-C4' energy: -13.490
flat angles P-C4'-P energy: -9.767
tors. eta vs tors. theta energy: -15.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -168.909414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.909414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.909414 (E_RNA)
where:
Base-Base interactions energy: -113.511
where: short stacking energy: -43.937
Base-Backbone interact. energy: -0.399
local terms energy: -54.999044
where:
bonds (distance) C4'-P energy: -11.251
bonds (distance) P-C4' energy: -10.798
flat angles C4'-P-C4' energy: -11.504
flat angles P-C4'-P energy: -4.968
tors. eta vs tors. theta energy: -16.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -169.026111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.026111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.026111 (E_RNA)
where:
Base-Base interactions energy: -111.974
where: short stacking energy: -44.431
Base-Backbone interact. energy: -0.977
local terms energy: -56.074758
where:
bonds (distance) C4'-P energy: -12.004
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -11.759
flat angles P-C4'-P energy: -4.914
tors. eta vs tors. theta energy: -13.995
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: 8
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -71.711994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.711994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.711994 (E_RNA)
where:
Base-Base interactions energy: -33.444
where: short stacking energy: -22.225
Base-Backbone interact. energy: -0.018
local terms energy: -38.250082
where:
bonds (distance) C4'-P energy: -8.583
bonds (distance) P-C4' energy: -12.110
flat angles C4'-P-C4' energy: -10.955
flat angles P-C4'-P energy: -6.572
tors. eta vs tors. theta energy: -0.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -75.748511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.748511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.748511 (E_RNA)
where:
Base-Base interactions energy: -36.019
where: short stacking energy: -15.433
Base-Backbone interact. energy: -0.024
local terms energy: -39.705615
where:
bonds (distance) C4'-P energy: -10.859
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -8.672
flat angles P-C4'-P energy: -5.949
tors. eta vs tors. theta energy: -0.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -58.547451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.547451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.547451 (E_RNA)
where:
Base-Base interactions energy: -22.381
where: short stacking energy: -9.508
Base-Backbone interact. energy: 0.265
local terms energy: -36.431322
where:
bonds (distance) C4'-P energy: -8.594
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -10.404
flat angles P-C4'-P energy: -8.777
tors. eta vs tors. theta energy: 3.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -70.768006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.768006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.768006 (E_RNA)
where:
Base-Base interactions energy: -33.905
where: short stacking energy: -15.706
Base-Backbone interact. energy: -0.029
local terms energy: -36.833992
where:
bonds (distance) C4'-P energy: -10.551
bonds (distance) P-C4' energy: -12.025
flat angles C4'-P-C4' energy: -8.431
flat angles P-C4'-P energy: -3.674
tors. eta vs tors. theta energy: -2.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -53.212962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.212962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.212962 (E_RNA)
where:
Base-Base interactions energy: -21.106
where: short stacking energy: -6.166
Base-Backbone interact. energy: -0.275
local terms energy: -31.832254
where:
bonds (distance) C4'-P energy: -10.954
bonds (distance) P-C4' energy: -10.155
flat angles C4'-P-C4' energy: -6.857
flat angles P-C4'-P energy: -9.253
tors. eta vs tors. theta energy: 5.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -181.973520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.973520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.973520 (E_RNA)
where:
Base-Base interactions energy: -117.362
where: short stacking energy: -47.358
Base-Backbone interact. energy: -0.059
local terms energy: -64.552721
where:
bonds (distance) C4'-P energy: -12.519
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -13.911
flat angles P-C4'-P energy: -7.758
tors. eta vs tors. theta energy: -16.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -176.828497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.828497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.828497 (E_RNA)
where:
Base-Base interactions energy: -115.796
where: short stacking energy: -38.859
Base-Backbone interact. energy: -0.590
local terms energy: -60.442650
where:
bonds (distance) C4'-P energy: -10.895
bonds (distance) P-C4' energy: -12.610
flat angles C4'-P-C4' energy: -11.526
flat angles P-C4'-P energy: -9.188
tors. eta vs tors. theta energy: -16.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -176.128507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.128507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.128507 (E_RNA)
where:
Base-Base interactions energy: -114.175
where: short stacking energy: -43.950
Base-Backbone interact. energy: -0.002
local terms energy: -61.950534
where:
bonds (distance) C4'-P energy: -10.768
bonds (distance) P-C4' energy: -12.612
flat angles C4'-P-C4' energy: -11.874
flat angles P-C4'-P energy: -9.151
tors. eta vs tors. theta energy: -17.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -173.134857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.134857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.134857 (E_RNA)
where:
Base-Base interactions energy: -111.910
where: short stacking energy: -45.488
Base-Backbone interact. energy: -0.062
local terms energy: -61.162839
where:
bonds (distance) C4'-P energy: -11.926
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -12.810
flat angles P-C4'-P energy: -9.780
tors. eta vs tors. theta energy: -12.938
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: 6
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -170.172270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.172270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.172270 (E_RNA)
where:
Base-Base interactions energy: -113.416
where: short stacking energy: -38.861
Base-Backbone interact. energy: -0.002
local terms energy: -56.755071
where:
bonds (distance) C4'-P energy: -9.963
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -11.085
flat angles P-C4'-P energy: -4.560
tors. eta vs tors. theta energy: -16.536
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: 8
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -66.597632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.597632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.597632 (E_RNA)
where:
Base-Base interactions energy: -27.372
where: short stacking energy: -11.672
Base-Backbone interact. energy: -0.409
local terms energy: -38.816861
where:
bonds (distance) C4'-P energy: -14.278
bonds (distance) P-C4' energy: -7.066
flat angles C4'-P-C4' energy: -10.897
flat angles P-C4'-P energy: -8.866
tors. eta vs tors. theta energy: 2.291
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: 5
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -67.580152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.580152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.580152 (E_RNA)
where:
Base-Base interactions energy: -25.259
where: short stacking energy: -25.259
Base-Backbone interact. energy: -0.115
local terms energy: -42.205677
where:
bonds (distance) C4'-P energy: -10.701
bonds (distance) P-C4' energy: -12.508
flat angles C4'-P-C4' energy: -8.413
flat angles P-C4'-P energy: -4.482
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: 8, replica: 2
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -66.302779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.302779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.302779 (E_RNA)
where:
Base-Base interactions energy: -29.674
where: short stacking energy: -23.764
Base-Backbone interact. energy: 1.347
local terms energy: -37.976050
where:
bonds (distance) C4'-P energy: -7.255
bonds (distance) P-C4' energy: -12.691
flat angles C4'-P-C4' energy: -9.832
flat angles P-C4'-P energy: -3.188
tors. eta vs tors. theta energy: -5.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -71.183433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.183433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.183433 (E_RNA)
where:
Base-Base interactions energy: -26.105
where: short stacking energy: -11.739
Base-Backbone interact. energy: -0.316
local terms energy: -44.762499
where:
bonds (distance) C4'-P energy: -11.416
bonds (distance) P-C4' energy: -12.567
flat angles C4'-P-C4' energy: -12.913
flat angles P-C4'-P energy: -6.053
tors. eta vs tors. theta energy: -1.814
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: 10
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -60.245353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.245353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.245353 (E_RNA)
where:
Base-Base interactions energy: -29.412
where: short stacking energy: -10.136
Base-Backbone interact. energy: 0.175
local terms energy: -31.008234
where:
bonds (distance) C4'-P energy: -8.203
bonds (distance) P-C4' energy: -8.517
flat angles C4'-P-C4' energy: -10.213
flat angles P-C4'-P energy: -6.086
tors. eta vs tors. theta energy: 2.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -182.919916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.919916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.919916 (E_RNA)
where:
Base-Base interactions energy: -113.175
where: short stacking energy: -46.780
Base-Backbone interact. energy: -0.007
local terms energy: -69.738458
where:
bonds (distance) C4'-P energy: -13.756
bonds (distance) P-C4' energy: -13.798
flat angles C4'-P-C4' energy: -13.586
flat angles P-C4'-P energy: -11.353
tors. eta vs tors. theta energy: -17.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -182.191788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.191788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.191788 (E_RNA)
where:
Base-Base interactions energy: -122.154
where: short stacking energy: -41.585
Base-Backbone interact. energy: -0.074
local terms energy: -59.963964
where:
bonds (distance) C4'-P energy: -13.602
bonds (distance) P-C4' energy: -13.970
flat angles C4'-P-C4' energy: -13.581
flat angles P-C4'-P energy: -9.000
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: 3
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -176.950323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.950323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.950323 (E_RNA)
where:
Base-Base interactions energy: -115.480
where: short stacking energy: -47.728
Base-Backbone interact. energy: -0.611
local terms energy: -60.859948
where:
bonds (distance) C4'-P energy: -10.437
bonds (distance) P-C4' energy: -9.226
flat angles C4'-P-C4' energy: -13.623
flat angles P-C4'-P energy: -9.513
tors. eta vs tors. theta energy: -18.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -175.524836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.524836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.524836 (E_RNA)
where:
Base-Base interactions energy: -113.244
where: short stacking energy: -49.057
Base-Backbone interact. energy: -0.037
local terms energy: -62.243744
where:
bonds (distance) C4'-P energy: -13.061
bonds (distance) P-C4' energy: -11.430
flat angles C4'-P-C4' energy: -14.120
flat angles P-C4'-P energy: -8.033
tors. eta vs tors. theta energy: -15.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -161.263561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.263561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.263561 (E_RNA)
where:
Base-Base interactions energy: -109.042
where: short stacking energy: -45.104
Base-Backbone interact. energy: -0.052
local terms energy: -52.169655
where:
bonds (distance) C4'-P energy: -12.253
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -5.168
flat angles P-C4'-P energy: -5.270
tors. eta vs tors. theta energy: -14.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -62.406733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.406733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.406733 (E_RNA)
where:
Base-Base interactions energy: -20.264
where: short stacking energy: -19.572
Base-Backbone interact. energy: -0.323
local terms energy: -41.819217
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -13.447
flat angles C4'-P-C4' energy: -11.378
flat angles P-C4'-P energy: -2.227
tors. eta vs tors. theta energy: -0.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -68.774581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.774581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.774581 (E_RNA)
where:
Base-Base interactions energy: -39.125
where: short stacking energy: -13.012
Base-Backbone interact. energy: 1.926
local terms energy: -31.575502
where:
bonds (distance) C4'-P energy: -7.423
bonds (distance) P-C4' energy: -13.131
flat angles C4'-P-C4' energy: -9.062
flat angles P-C4'-P energy: -3.127
tors. eta vs tors. theta energy: 1.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -70.587330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.587330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.587330 (E_RNA)
where:
Base-Base interactions energy: -33.563
where: short stacking energy: -18.207
Base-Backbone interact. energy: -0.508
local terms energy: -36.515985
where:
bonds (distance) C4'-P energy: -9.008
bonds (distance) P-C4' energy: -13.821
flat angles C4'-P-C4' energy: -6.757
flat angles P-C4'-P energy: -4.728
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: 9, replica: 2
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -60.231998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.231998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.231998 (E_RNA)
where:
Base-Base interactions energy: -17.598
where: short stacking energy: -13.395
Base-Backbone interact. energy: -0.096
local terms energy: -42.538587
where:
bonds (distance) C4'-P energy: -11.942
bonds (distance) P-C4' energy: -12.852
flat angles C4'-P-C4' energy: -14.311
flat angles P-C4'-P energy: 0.568
tors. eta vs tors. theta energy: -4.002
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: 10, replica: 10
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -62.615345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.615345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.615345 (E_RNA)
where:
Base-Base interactions energy: -28.025
where: short stacking energy: -13.372
Base-Backbone interact. energy: -0.121
local terms energy: -34.469344
where:
bonds (distance) C4'-P energy: -9.157
bonds (distance) P-C4' energy: -10.391
flat angles C4'-P-C4' energy: -10.848
flat angles P-C4'-P energy: -6.612
tors. eta vs tors. theta energy: 2.538
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: 9
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -180.842129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.842129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.842129 (E_RNA)
where:
Base-Base interactions energy: -115.041
where: short stacking energy: -44.199
Base-Backbone interact. energy: -0.922
local terms energy: -64.878498
where:
bonds (distance) C4'-P energy: -10.102
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -13.261
flat angles P-C4'-P energy: -10.600
tors. eta vs tors. theta energy: -16.470
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: 1
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -172.737125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.737125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.737125 (E_RNA)
where:
Base-Base interactions energy: -115.217
where: short stacking energy: -40.440
Base-Backbone interact. energy: -0.050
local terms energy: -57.470378
where:
bonds (distance) C4'-P energy: -10.672
bonds (distance) P-C4' energy: -13.227
flat angles C4'-P-C4' energy: -11.492
flat angles P-C4'-P energy: -5.084
tors. eta vs tors. theta energy: -16.995
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: 3
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -180.065764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.065764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.065764 (E_RNA)
where:
Base-Base interactions energy: -113.557
where: short stacking energy: -46.269
Base-Backbone interact. energy: -0.040
local terms energy: -66.469468
where:
bonds (distance) C4'-P energy: -13.209
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -14.165
flat angles P-C4'-P energy: -7.968
tors. eta vs tors. theta energy: -17.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -170.325583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.325583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.325583 (E_RNA)
where:
Base-Base interactions energy: -109.819
where: short stacking energy: -47.520
Base-Backbone interact. energy: -0.028
local terms energy: -60.478172
where:
bonds (distance) C4'-P energy: -14.108
bonds (distance) P-C4' energy: -13.423
flat angles C4'-P-C4' energy: -7.836
flat angles P-C4'-P energy: -7.670
tors. eta vs tors. theta energy: -17.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -162.071126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.071126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.071126 (E_RNA)
where:
Base-Base interactions energy: -104.459
where: short stacking energy: -35.228
Base-Backbone interact. energy: -0.077
local terms energy: -57.534433
where:
bonds (distance) C4'-P energy: -8.832
bonds (distance) P-C4' energy: -10.277
flat angles C4'-P-C4' energy: -14.571
flat angles P-C4'-P energy: -11.727
tors. eta vs tors. theta energy: -12.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -73.266235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.266235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.266235 (E_RNA)
where:
Base-Base interactions energy: -35.592
where: short stacking energy: -12.381
Base-Backbone interact. energy: -1.013
local terms energy: -36.660918
where:
bonds (distance) C4'-P energy: -9.343
bonds (distance) P-C4' energy: -8.742
flat angles C4'-P-C4' energy: -6.878
flat angles P-C4'-P energy: -8.782
tors. eta vs tors. theta energy: -2.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -70.912069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.912069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.912069 (E_RNA)
where:
Base-Base interactions energy: -29.681
where: short stacking energy: -22.238
Base-Backbone interact. energy: 0.024
local terms energy: -41.254797
where:
bonds (distance) C4'-P energy: -7.824
bonds (distance) P-C4' energy: -14.163
flat angles C4'-P-C4' energy: -10.115
flat angles P-C4'-P energy: -6.025
tors. eta vs tors. theta energy: -3.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -65.523283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.523283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.523283 (E_RNA)
where:
Base-Base interactions energy: -31.057
where: short stacking energy: -11.760
Base-Backbone interact. energy: -0.314
local terms energy: -34.152393
where:
bonds (distance) C4'-P energy: -10.568
bonds (distance) P-C4' energy: -6.624
flat angles C4'-P-C4' energy: -12.167
flat angles P-C4'-P energy: -9.171
tors. eta vs tors. theta energy: 4.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -66.797011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.797011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.797011 (E_RNA)
where:
Base-Base interactions energy: -27.861
where: short stacking energy: -7.654
Base-Backbone interact. energy: -0.870
local terms energy: -38.065924
where:
bonds (distance) C4'-P energy: -7.355
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -9.777
flat angles P-C4'-P energy: -4.959
tors. eta vs tors. theta energy: -2.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -63.235195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.235195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.235195 (E_RNA)
where:
Base-Base interactions energy: -25.593
where: short stacking energy: -12.085
Base-Backbone interact. energy: -0.193
local terms energy: -37.449053
where:
bonds (distance) C4'-P energy: -6.038
bonds (distance) P-C4' energy: -12.024
flat angles C4'-P-C4' energy: -8.871
flat angles P-C4'-P energy: -8.974
tors. eta vs tors. theta energy: -1.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -182.297705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.297705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.297705 (E_RNA)
where:
Base-Base interactions energy: -117.463
where: short stacking energy: -45.207
Base-Backbone interact. energy: -0.866
local terms energy: -63.968978
where:
bonds (distance) C4'-P energy: -13.015
bonds (distance) P-C4' energy: -9.968
flat angles C4'-P-C4' energy: -14.542
flat angles P-C4'-P energy: -11.341
tors. eta vs tors. theta energy: -15.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -179.774226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.774226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.774226 (E_RNA)
where:
Base-Base interactions energy: -117.383
where: short stacking energy: -48.872
Base-Backbone interact. energy: -0.283
local terms energy: -62.108024
where:
bonds (distance) C4'-P energy: -11.110
bonds (distance) P-C4' energy: -13.254
flat angles C4'-P-C4' energy: -13.565
flat angles P-C4'-P energy: -7.271
tors. eta vs tors. theta energy: -16.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -175.166543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.166543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.166543 (E_RNA)
where:
Base-Base interactions energy: -111.534
where: short stacking energy: -47.561
Base-Backbone interact. energy: -0.014
local terms energy: -63.618409
where:
bonds (distance) C4'-P energy: -12.121
bonds (distance) P-C4' energy: -12.080
flat angles C4'-P-C4' energy: -13.175
flat angles P-C4'-P energy: -10.611
tors. eta vs tors. theta energy: -15.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -176.290914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.290914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.290914 (E_RNA)
where:
Base-Base interactions energy: -115.154
where: short stacking energy: -42.138
Base-Backbone interact. energy: -0.606
local terms energy: -60.531052
where:
bonds (distance) C4'-P energy: -11.049
bonds (distance) P-C4' energy: -11.546
flat angles C4'-P-C4' energy: -12.006
flat angles P-C4'-P energy: -11.192
tors. eta vs tors. theta energy: -14.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -149.256650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.256650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.256650 (E_RNA)
where:
Base-Base interactions energy: -94.604
where: short stacking energy: -35.556
Base-Backbone interact. energy: -0.014
local terms energy: -54.638446
where:
bonds (distance) C4'-P energy: -11.393
bonds (distance) P-C4' energy: -11.517
flat angles C4'-P-C4' energy: -11.443
flat angles P-C4'-P energy: -8.162
tors. eta vs tors. theta energy: -12.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -69.401825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.401825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.401825 (E_RNA)
where:
Base-Base interactions energy: -24.372
where: short stacking energy: -17.443
Base-Backbone interact. energy: -0.275
local terms energy: -44.754953
where:
bonds (distance) C4'-P energy: -13.123
bonds (distance) P-C4' energy: -11.619
flat angles C4'-P-C4' energy: -10.594
flat angles P-C4'-P energy: -8.325
tors. eta vs tors. theta energy: -1.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -74.128309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.128309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.128309 (E_RNA)
where:
Base-Base interactions energy: -25.591
where: short stacking energy: -6.224
Base-Backbone interact. energy: -0.640
local terms energy: -47.896578
where:
bonds (distance) C4'-P energy: -12.344
bonds (distance) P-C4' energy: -15.114
flat angles C4'-P-C4' energy: -8.506
flat angles P-C4'-P energy: -7.883
tors. eta vs tors. theta energy: -4.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -75.277941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.277941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.277941 (E_RNA)
where:
Base-Base interactions energy: -32.210
where: short stacking energy: -13.262
Base-Backbone interact. energy: -0.006
local terms energy: -43.061580
where:
bonds (distance) C4'-P energy: -10.977
bonds (distance) P-C4' energy: -10.778
flat angles C4'-P-C4' energy: -10.963
flat angles P-C4'-P energy: -6.014
tors. eta vs tors. theta energy: -4.330
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: 9, replica: 8
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -60.679172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.679172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.679172 (E_RNA)
where:
Base-Base interactions energy: -12.312
where: short stacking energy: -12.312
Base-Backbone interact. energy: -0.005
local terms energy: -48.362315
where:
bonds (distance) C4'-P energy: -11.036
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -11.648
flat angles P-C4'-P energy: -5.675
tors. eta vs tors. theta energy: -5.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -59.082366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.082366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.082366 (E_RNA)
where:
Base-Base interactions energy: -20.620
where: short stacking energy: -13.137
Base-Backbone interact. energy: 0.068
local terms energy: -38.530716
where:
bonds (distance) C4'-P energy: -7.116
bonds (distance) P-C4' energy: -10.863
flat angles C4'-P-C4' energy: -14.222
flat angles P-C4'-P energy: -7.989
tors. eta vs tors. theta energy: 1.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -177.594925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.594925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.594925 (E_RNA)
where:
Base-Base interactions energy: -110.788
where: short stacking energy: -44.337
Base-Backbone interact. energy: -0.670
local terms energy: -66.137294
where:
bonds (distance) C4'-P energy: -14.092
bonds (distance) P-C4' energy: -12.978
flat angles C4'-P-C4' energy: -13.102
flat angles P-C4'-P energy: -10.478
tors. eta vs tors. theta energy: -15.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -174.884368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.884368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.884368 (E_RNA)
where:
Base-Base interactions energy: -114.074
where: short stacking energy: -48.189
Base-Backbone interact. energy: 2.074
local terms energy: -62.883929
where:
bonds (distance) C4'-P energy: -11.321
bonds (distance) P-C4' energy: -14.227
flat angles C4'-P-C4' energy: -12.690
flat angles P-C4'-P energy: -8.972
tors. eta vs tors. theta energy: -15.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -174.755653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.755653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.755653 (E_RNA)
where:
Base-Base interactions energy: -116.115
where: short stacking energy: -39.880
Base-Backbone interact. energy: -1.173
local terms energy: -57.468194
where:
bonds (distance) C4'-P energy: -10.324
bonds (distance) P-C4' energy: -13.339
flat angles C4'-P-C4' energy: -9.621
flat angles P-C4'-P energy: -8.151
tors. eta vs tors. theta energy: -16.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -169.128200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.128200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.128200 (E_RNA)
where:
Base-Base interactions energy: -108.623
where: short stacking energy: -43.980
Base-Backbone interact. energy: -0.015
local terms energy: -60.490012
where:
bonds (distance) C4'-P energy: -12.664
bonds (distance) P-C4' energy: -13.439
flat angles C4'-P-C4' energy: -13.277
flat angles P-C4'-P energy: -8.959
tors. eta vs tors. theta energy: -12.151
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: 6
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -167.142902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.142902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.142902 (E_RNA)
where:
Base-Base interactions energy: -104.402
where: short stacking energy: -46.162
Base-Backbone interact. energy: -0.052
local terms energy: -62.688845
where:
bonds (distance) C4'-P energy: -9.832
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -14.783
flat angles P-C4'-P energy: -8.096
tors. eta vs tors. theta energy: -16.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -78.886101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.886101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.886101 (E_RNA)
where:
Base-Base interactions energy: -33.609
where: short stacking energy: -19.875
Base-Backbone interact. energy: 1.429
local terms energy: -46.706257
where:
bonds (distance) C4'-P energy: -9.769
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -11.369
flat angles P-C4'-P energy: -7.681
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: 7, replica: 10
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -77.636859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.636859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.636859 (E_RNA)
where:
Base-Base interactions energy: -38.152
where: short stacking energy: -9.873
Base-Backbone interact. energy: 0.003
local terms energy: -39.488126
where:
bonds (distance) C4'-P energy: -11.376
bonds (distance) P-C4' energy: -13.564
flat angles C4'-P-C4' energy: -10.693
flat angles P-C4'-P energy: -3.212
tors. eta vs tors. theta energy: -0.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -72.106770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.106770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.106770 (E_RNA)
where:
Base-Base interactions energy: -31.655
where: short stacking energy: -15.892
Base-Backbone interact. energy: 0.226
local terms energy: -40.677878
where:
bonds (distance) C4'-P energy: -9.917
bonds (distance) P-C4' energy: -10.779
flat angles C4'-P-C4' energy: -7.661
flat angles P-C4'-P energy: -10.293
tors. eta vs tors. theta energy: -2.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -67.657639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.657639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.657639 (E_RNA)
where:
Base-Base interactions energy: -23.758
where: short stacking energy: -17.883
Base-Backbone interact. energy: -0.136
local terms energy: -43.764054
where:
bonds (distance) C4'-P energy: -13.185
bonds (distance) P-C4' energy: -10.324
flat angles C4'-P-C4' energy: -7.696
flat angles P-C4'-P energy: -7.086
tors. eta vs tors. theta energy: -5.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -56.091295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.091295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.091295 (E_RNA)
where:
Base-Base interactions energy: -17.840
where: short stacking energy: -17.905
Base-Backbone interact. energy: -0.344
local terms energy: -37.906470
where:
bonds (distance) C4'-P energy: -10.249
bonds (distance) P-C4' energy: -6.747
flat angles C4'-P-C4' energy: -9.076
flat angles P-C4'-P energy: -10.833
tors. eta vs tors. theta energy: -1.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -180.611074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.611074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.611074 (E_RNA)
where:
Base-Base interactions energy: -116.777
where: short stacking energy: -48.300
Base-Backbone interact. energy: -0.005
local terms energy: -63.828912
where:
bonds (distance) C4'-P energy: -12.548
bonds (distance) P-C4' energy: -13.374
flat angles C4'-P-C4' energy: -12.788
flat angles P-C4'-P energy: -10.425
tors. eta vs tors. theta energy: -14.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -180.315582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.315582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.315582 (E_RNA)
where:
Base-Base interactions energy: -118.679
where: short stacking energy: -49.703
Base-Backbone interact. energy: -0.023
local terms energy: -61.613860
where:
bonds (distance) C4'-P energy: -9.309
bonds (distance) P-C4' energy: -11.581
flat angles C4'-P-C4' energy: -15.315
flat angles P-C4'-P energy: -8.348
tors. eta vs tors. theta energy: -17.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -165.583275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.583275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.583275 (E_RNA)
where:
Base-Base interactions energy: -106.894
where: short stacking energy: -41.476
Base-Backbone interact. energy: -0.026
local terms energy: -58.663624
where:
bonds (distance) C4'-P energy: -10.489
bonds (distance) P-C4' energy: -12.719
flat angles C4'-P-C4' energy: -9.821
flat angles P-C4'-P energy: -11.028
tors. eta vs tors. theta energy: -14.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -167.275099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.275099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.275099 (E_RNA)
where:
Base-Base interactions energy: -112.102
where: short stacking energy: -41.440
Base-Backbone interact. energy: -0.002
local terms energy: -55.170744
where:
bonds (distance) C4'-P energy: -12.647
bonds (distance) P-C4' energy: -12.363
flat angles C4'-P-C4' energy: -11.148
flat angles P-C4'-P energy: -6.985
tors. eta vs tors. theta energy: -12.028
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: 5, replica: 1
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -170.009750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.009750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.009750 (E_RNA)
where:
Base-Base interactions energy: -112.737
where: short stacking energy: -42.214
Base-Backbone interact. energy: -0.065
local terms energy: -57.207605
where:
bonds (distance) C4'-P energy: -9.714
bonds (distance) P-C4' energy: -11.356
flat angles C4'-P-C4' energy: -12.033
flat angles P-C4'-P energy: -9.149
tors. eta vs tors. theta energy: -14.956
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: 10
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -62.759343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.759343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.759343 (E_RNA)
where:
Base-Base interactions energy: -23.533
where: short stacking energy: -7.358
Base-Backbone interact. energy: -0.583
local terms energy: -38.644202
where:
bonds (distance) C4'-P energy: -13.400
bonds (distance) P-C4' energy: -9.920
flat angles C4'-P-C4' energy: -8.413
flat angles P-C4'-P energy: -9.683
tors. eta vs tors. theta energy: 2.772
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: 195
Temperature: 1.200000
Total energy: -77.949860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.949860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.949860 (E_RNA)
where:
Base-Base interactions energy: -32.983
where: short stacking energy: -13.180
Base-Backbone interact. energy: -0.012
local terms energy: -44.954773
where:
bonds (distance) C4'-P energy: -11.214
bonds (distance) P-C4' energy: -14.122
flat angles C4'-P-C4' energy: -11.611
flat angles P-C4'-P energy: -6.876
tors. eta vs tors. theta energy: -1.132
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: 195
Temperature: 1.250000
Total energy: -64.273896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.273896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.273896 (E_RNA)
where:
Base-Base interactions energy: -24.781
where: short stacking energy: -23.475
Base-Backbone interact. energy: 1.356
local terms energy: -40.849255
where:
bonds (distance) C4'-P energy: -12.671
bonds (distance) P-C4' energy: -14.618
flat angles C4'-P-C4' energy: -9.196
flat angles P-C4'-P energy: -1.443
tors. eta vs tors. theta energy: -2.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -65.646223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.646223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.646223 (E_RNA)
where:
Base-Base interactions energy: -26.086
where: short stacking energy: -22.424
Base-Backbone interact. energy: 0.302
local terms energy: -39.861598
where:
bonds (distance) C4'-P energy: -5.792
bonds (distance) P-C4' energy: -12.868
flat angles C4'-P-C4' energy: -8.142
flat angles P-C4'-P energy: -7.468
tors. eta vs tors. theta energy: -5.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -78.933659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.933659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.933659 (E_RNA)
where:
Base-Base interactions energy: -37.661
where: short stacking energy: -22.423
Base-Backbone interact. energy: -0.014
local terms energy: -41.258981
where:
bonds (distance) C4'-P energy: -10.631
bonds (distance) P-C4' energy: -13.106
flat angles C4'-P-C4' energy: -10.451
flat angles P-C4'-P energy: -2.696
tors. eta vs tors. theta energy: -4.375
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: 1, replica: 7
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -180.904885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.904885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.904885 (E_RNA)
where:
Base-Base interactions energy: -118.860
where: short stacking energy: -49.864
Base-Backbone interact. energy: -0.077
local terms energy: -61.968207
where:
bonds (distance) C4'-P energy: -11.838
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -11.834
flat angles P-C4'-P energy: -7.959
tors. eta vs tors. theta energy: -16.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -181.695298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.695298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.695298 (E_RNA)
where:
Base-Base interactions energy: -113.184
where: short stacking energy: -43.535
Base-Backbone interact. energy: 0.027
local terms energy: -68.538691
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -14.297
flat angles C4'-P-C4' energy: -13.364
flat angles P-C4'-P energy: -11.167
tors. eta vs tors. theta energy: -16.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -166.834261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.834261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.834261 (E_RNA)
where:
Base-Base interactions energy: -104.527
where: short stacking energy: -36.518
Base-Backbone interact. energy: -0.731
local terms energy: -61.575919
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -12.954
flat angles C4'-P-C4' energy: -13.886
flat angles P-C4'-P energy: -7.333
tors. eta vs tors. theta energy: -12.670
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: 4, replica: 9
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -168.178996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.178996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.178996 (E_RNA)
where:
Base-Base interactions energy: -107.268
where: short stacking energy: -42.063
Base-Backbone interact. energy: -0.004
local terms energy: -60.906100
where:
bonds (distance) C4'-P energy: -13.516
bonds (distance) P-C4' energy: -11.478
flat angles C4'-P-C4' energy: -12.201
flat angles P-C4'-P energy: -8.011
tors. eta vs tors. theta energy: -15.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -167.874150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.874150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.874150 (E_RNA)
where:
Base-Base interactions energy: -108.670
where: short stacking energy: -40.695
Base-Backbone interact. energy: -0.023
local terms energy: -59.181545
where:
bonds (distance) C4'-P energy: -12.084
bonds (distance) P-C4' energy: -13.486
flat angles C4'-P-C4' energy: -13.553
flat angles P-C4'-P energy: -8.102
tors. eta vs tors. theta energy: -11.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -77.883573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.883573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.883573 (E_RNA)
where:
Base-Base interactions energy: -49.268
where: short stacking energy: -20.591
Base-Backbone interact. energy: -0.304
local terms energy: -28.311381
where:
bonds (distance) C4'-P energy: -7.533
bonds (distance) P-C4' energy: -9.774
flat angles C4'-P-C4' energy: -4.737
flat angles P-C4'-P energy: -5.674
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: 7, replica: 2
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -64.401377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.401377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.401377 (E_RNA)
where:
Base-Base interactions energy: -13.235
where: short stacking energy: -11.130
Base-Backbone interact. energy: -0.024
local terms energy: -51.142059
where:
bonds (distance) C4'-P energy: -14.377
bonds (distance) P-C4' energy: -14.847
flat angles C4'-P-C4' energy: -12.205
flat angles P-C4'-P energy: -4.063
tors. eta vs tors. theta energy: -5.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -62.464763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.464763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.464763 (E_RNA)
where:
Base-Base interactions energy: -22.487
where: short stacking energy: -12.742
Base-Backbone interact. energy: -0.159
local terms energy: -39.818074
where:
bonds (distance) C4'-P energy: -10.204
bonds (distance) P-C4' energy: -10.963
flat angles C4'-P-C4' energy: -10.539
flat angles P-C4'-P energy: -6.455
tors. eta vs tors. theta energy: -1.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -63.615806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.615806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.615806 (E_RNA)
where:
Base-Base interactions energy: -22.691
where: short stacking energy: -21.153
Base-Backbone interact. energy: -0.077
local terms energy: -40.847869
where:
bonds (distance) C4'-P energy: -11.414
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -5.778
flat angles P-C4'-P energy: -7.577
tors. eta vs tors. theta energy: -1.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -53.857978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.857978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.857978 (E_RNA)
where:
Base-Base interactions energy: -12.795
where: short stacking energy: -11.525
Base-Backbone interact. energy: -0.215
local terms energy: -40.847808
where:
bonds (distance) C4'-P energy: -10.315
bonds (distance) P-C4' energy: -13.781
flat angles C4'-P-C4' energy: -13.060
flat angles P-C4'-P energy: -5.274
tors. eta vs tors. theta energy: 1.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -183.886234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.886234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.886234 (E_RNA)
where:
Base-Base interactions energy: -114.807
where: short stacking energy: -50.297
Base-Backbone interact. energy: -0.005
local terms energy: -69.074109
where:
bonds (distance) C4'-P energy: -13.619
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -13.968
flat angles P-C4'-P energy: -10.761
tors. eta vs tors. theta energy: -18.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -173.150495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.150495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.150495 (E_RNA)
where:
Base-Base interactions energy: -111.928
where: short stacking energy: -47.301
Base-Backbone interact. energy: -0.033
local terms energy: -61.190013
where:
bonds (distance) C4'-P energy: -12.547
bonds (distance) P-C4' energy: -13.674
flat angles C4'-P-C4' energy: -13.447
flat angles P-C4'-P energy: -8.336
tors. eta vs tors. theta energy: -13.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -179.477856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.477856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.477856 (E_RNA)
where:
Base-Base interactions energy: -114.826
where: short stacking energy: -47.067
Base-Backbone interact. energy: -0.000
local terms energy: -64.651685
where:
bonds (distance) C4'-P energy: -11.321
bonds (distance) P-C4' energy: -15.069
flat angles C4'-P-C4' energy: -11.603
flat angles P-C4'-P energy: -11.517
tors. eta vs tors. theta energy: -15.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -168.711308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.711308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.711308 (E_RNA)
where:
Base-Base interactions energy: -113.961
where: short stacking energy: -43.362
Base-Backbone interact. energy: 0.643
local terms energy: -55.392798
where:
bonds (distance) C4'-P energy: -11.372
bonds (distance) P-C4' energy: -12.862
flat angles C4'-P-C4' energy: -12.025
flat angles P-C4'-P energy: -6.352
tors. eta vs tors. theta energy: -12.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -167.385007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.385007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.385007 (E_RNA)
where:
Base-Base interactions energy: -106.622
where: short stacking energy: -38.089
Base-Backbone interact. energy: -0.200
local terms energy: -60.563371
where:
bonds (distance) C4'-P energy: -12.713
bonds (distance) P-C4' energy: -12.193
flat angles C4'-P-C4' energy: -12.215
flat angles P-C4'-P energy: -7.069
tors. eta vs tors. theta energy: -16.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -81.251229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.251229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.251229 (E_RNA)
where:
Base-Base interactions energy: -38.538
where: short stacking energy: -19.817
Base-Backbone interact. energy: -0.120
local terms energy: -42.593315
where:
bonds (distance) C4'-P energy: -10.062
bonds (distance) P-C4' energy: -13.107
flat angles C4'-P-C4' energy: -11.543
flat angles P-C4'-P energy: -8.383
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: 10
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -116.120256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.120256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.120256 (E_RNA)
where:
Base-Base interactions energy: -69.437
where: short stacking energy: -19.544
Base-Backbone interact. energy: -0.337
local terms energy: -46.346542
where:
bonds (distance) C4'-P energy: -10.672
bonds (distance) P-C4' energy: -13.776
flat angles C4'-P-C4' energy: -8.258
flat angles P-C4'-P energy: -7.021
tors. eta vs tors. theta energy: -6.619
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: 8
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -60.230191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.230191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.230191 (E_RNA)
where:
Base-Base interactions energy: -26.448
where: short stacking energy: -12.752
Base-Backbone interact. energy: 0.500
local terms energy: -34.282283
where:
bonds (distance) C4'-P energy: -8.160
bonds (distance) P-C4' energy: -11.886
flat angles C4'-P-C4' energy: -8.712
flat angles P-C4'-P energy: -4.229
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: 9, replica: 4
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -61.458891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.458891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.458891 (E_RNA)
where:
Base-Base interactions energy: -26.261
where: short stacking energy: -15.740
Base-Backbone interact. energy: -0.011
local terms energy: -35.186187
where:
bonds (distance) C4'-P energy: -10.354
bonds (distance) P-C4' energy: -13.818
flat angles C4'-P-C4' energy: -6.292
flat angles P-C4'-P energy: -6.464
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: 5
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -60.015939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.015939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.015939 (E_RNA)
where:
Base-Base interactions energy: -33.644
where: short stacking energy: -17.351
Base-Backbone interact. energy: -0.050
local terms energy: -26.321963
where:
bonds (distance) C4'-P energy: -3.743
bonds (distance) P-C4' energy: -10.324
flat angles C4'-P-C4' energy: -5.449
flat angles P-C4'-P energy: -4.503
tors. eta vs tors. theta energy: -2.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -177.102712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.102712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.102712 (E_RNA)
where:
Base-Base interactions energy: -112.098
where: short stacking energy: -41.845
Base-Backbone interact. energy: -0.656
local terms energy: -64.348597
where:
bonds (distance) C4'-P energy: -13.445
bonds (distance) P-C4' energy: -14.339
flat angles C4'-P-C4' energy: -13.961
flat angles P-C4'-P energy: -9.941
tors. eta vs tors. theta energy: -12.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -180.743911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.743911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.743911 (E_RNA)
where:
Base-Base interactions energy: -120.698
where: short stacking energy: -41.814
Base-Backbone interact. energy: -0.059
local terms energy: -59.987313
where:
bonds (distance) C4'-P energy: -11.114
bonds (distance) P-C4' energy: -11.965
flat angles C4'-P-C4' energy: -13.947
flat angles P-C4'-P energy: -7.937
tors. eta vs tors. theta energy: -15.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -176.114642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.114642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.114642 (E_RNA)
where:
Base-Base interactions energy: -114.021
where: short stacking energy: -50.685
Base-Backbone interact. energy: -0.032
local terms energy: -62.061755
where:
bonds (distance) C4'-P energy: -12.602
bonds (distance) P-C4' energy: -11.944
flat angles C4'-P-C4' energy: -13.660
flat angles P-C4'-P energy: -7.903
tors. eta vs tors. theta energy: -15.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -167.248323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.248323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.248323 (E_RNA)
where:
Base-Base interactions energy: -103.558
where: short stacking energy: -40.451
Base-Backbone interact. energy: -0.007
local terms energy: -63.683388
where:
bonds (distance) C4'-P energy: -11.956
bonds (distance) P-C4' energy: -12.729
flat angles C4'-P-C4' energy: -14.430
flat angles P-C4'-P energy: -10.797
tors. eta vs tors. theta energy: -13.772
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: 5, replica: 2
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -75.175733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.175733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.175733 (E_RNA)
where:
Base-Base interactions energy: -25.768
where: short stacking energy: -17.164
Base-Backbone interact. energy: -0.184
local terms energy: -49.224064
where:
bonds (distance) C4'-P energy: -12.762
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -11.279
flat angles P-C4'-P energy: -6.694
tors. eta vs tors. theta energy: -3.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -132.522682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.522682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.522682 (E_RNA)
where:
Base-Base interactions energy: -85.199
where: short stacking energy: -29.177
Base-Backbone interact. energy: -0.092
local terms energy: -47.231023
where:
bonds (distance) C4'-P energy: -7.652
bonds (distance) P-C4' energy: -14.523
flat angles C4'-P-C4' energy: -8.439
flat angles P-C4'-P energy: -7.507
tors. eta vs tors. theta energy: -9.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -73.128986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.128986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.128986 (E_RNA)
where:
Base-Base interactions energy: -36.308
where: short stacking energy: -19.824
Base-Backbone interact. energy: 1.277
local terms energy: -38.098142
where:
bonds (distance) C4'-P energy: -12.597
bonds (distance) P-C4' energy: -8.510
flat angles C4'-P-C4' energy: -4.948
flat angles P-C4'-P energy: -9.648
tors. eta vs tors. theta energy: -2.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -94.043907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.043907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.043907 (E_RNA)
where:
Base-Base interactions energy: -59.466
where: short stacking energy: -14.758
Base-Backbone interact. energy: -0.207
local terms energy: -34.370710
where:
bonds (distance) C4'-P energy: -9.070
bonds (distance) P-C4' energy: -8.764
flat angles C4'-P-C4' energy: -8.317
flat angles P-C4'-P energy: -6.025
tors. eta vs tors. theta energy: -2.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -70.544050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.544050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.544050 (E_RNA)
where:
Base-Base interactions energy: -21.490
where: short stacking energy: -20.147
Base-Backbone interact. energy: -0.005
local terms energy: -49.049649
where:
bonds (distance) C4'-P energy: -11.834
bonds (distance) P-C4' energy: -12.253
flat angles C4'-P-C4' energy: -10.869
flat angles P-C4'-P energy: -10.670
tors. eta vs tors. theta energy: -3.424
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: 10, replica: 5
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -58.690162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.690162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.690162 (E_RNA)
where:
Base-Base interactions energy: -17.351
where: short stacking energy: -14.230
Base-Backbone interact. energy: -0.310
local terms energy: -41.029142
where:
bonds (distance) C4'-P energy: -9.239
bonds (distance) P-C4' energy: -12.014
flat angles C4'-P-C4' energy: -11.290
flat angles P-C4'-P energy: -6.248
tors. eta vs tors. theta energy: -2.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -176.267083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.267083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.267083 (E_RNA)
where:
Base-Base interactions energy: -116.859
where: short stacking energy: -47.575
Base-Backbone interact. energy: -0.584
local terms energy: -58.824310
where:
bonds (distance) C4'-P energy: -12.684
bonds (distance) P-C4' energy: -10.415
flat angles C4'-P-C4' energy: -11.152
flat angles P-C4'-P energy: -9.348
tors. eta vs tors. theta energy: -15.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -179.454852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.454852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.454852 (E_RNA)
where:
Base-Base interactions energy: -114.417
where: short stacking energy: -50.265
Base-Backbone interact. energy: -0.005
local terms energy: -65.032882
where:
bonds (distance) C4'-P energy: -10.067
bonds (distance) P-C4' energy: -11.141
flat angles C4'-P-C4' energy: -13.206
flat angles P-C4'-P energy: -10.977
tors. eta vs tors. theta energy: -19.643
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: 3
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -174.663801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.663801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.663801 (E_RNA)
where:
Base-Base interactions energy: -116.727
where: short stacking energy: -45.367
Base-Backbone interact. energy: -0.754
local terms energy: -57.183229
where:
bonds (distance) C4'-P energy: -12.837
bonds (distance) P-C4' energy: -10.994
flat angles C4'-P-C4' energy: -8.773
flat angles P-C4'-P energy: -8.354
tors. eta vs tors. theta energy: -16.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -163.900696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.900696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.900696 (E_RNA)
where:
Base-Base interactions energy: -104.972
where: short stacking energy: -39.184
Base-Backbone interact. energy: -0.068
local terms energy: -58.859874
where:
bonds (distance) C4'-P energy: -11.499
bonds (distance) P-C4' energy: -11.638
flat angles C4'-P-C4' energy: -12.790
flat angles P-C4'-P energy: -9.222
tors. eta vs tors. theta energy: -13.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -64.840385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.840385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.840385 (E_RNA)
where:
Base-Base interactions energy: -18.497
where: short stacking energy: -18.497
Base-Backbone interact. energy: -0.054
local terms energy: -46.288913
where:
bonds (distance) C4'-P energy: -12.626
bonds (distance) P-C4' energy: -12.631
flat angles C4'-P-C4' energy: -10.756
flat angles P-C4'-P energy: -7.964
tors. eta vs tors. theta energy: -2.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -140.344046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.344046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.344046 (E_RNA)
where:
Base-Base interactions energy: -85.758
where: short stacking energy: -34.100
Base-Backbone interact. energy: -0.621
local terms energy: -53.964766
where:
bonds (distance) C4'-P energy: -11.000
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -11.242
flat angles P-C4'-P energy: -4.956
tors. eta vs tors. theta energy: -12.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -80.514479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.514479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.514479 (E_RNA)
where:
Base-Base interactions energy: -42.285
where: short stacking energy: -15.473
Base-Backbone interact. energy: -0.269
local terms energy: -37.960255
where:
bonds (distance) C4'-P energy: -8.337
bonds (distance) P-C4' energy: -8.890
flat angles C4'-P-C4' energy: -13.553
flat angles P-C4'-P energy: -8.848
tors. eta vs tors. theta energy: 1.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -72.520717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.520717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.520717 (E_RNA)
where:
Base-Base interactions energy: -34.341
where: short stacking energy: -17.156
Base-Backbone interact. energy: -0.261
local terms energy: -37.918875
where:
bonds (distance) C4'-P energy: -11.111
bonds (distance) P-C4' energy: -10.647
flat angles C4'-P-C4' energy: -4.901
flat angles P-C4'-P energy: -5.777
tors. eta vs tors. theta energy: -5.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -66.035132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.035132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.035132 (E_RNA)
where:
Base-Base interactions energy: -23.563
where: short stacking energy: -9.223
Base-Backbone interact. energy: -0.453
local terms energy: -42.018332
where:
bonds (distance) C4'-P energy: -14.162
bonds (distance) P-C4' energy: -8.102
flat angles C4'-P-C4' energy: -11.675
flat angles P-C4'-P energy: -11.597
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: 10, replica: 5
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -57.742575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.742575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.742575 (E_RNA)
where:
Base-Base interactions energy: -17.922
where: short stacking energy: -11.335
Base-Backbone interact. energy: -1.087
local terms energy: -38.734436
where:
bonds (distance) C4'-P energy: -9.348
bonds (distance) P-C4' energy: -12.734
flat angles C4'-P-C4' energy: -9.857
flat angles P-C4'-P energy: -6.927
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: 1, replica: 7
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -178.430909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.430909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.430909 (E_RNA)
where:
Base-Base interactions energy: -115.429
where: short stacking energy: -47.237
Base-Backbone interact. energy: -0.165
local terms energy: -62.836547
where:
bonds (distance) C4'-P energy: -12.254
bonds (distance) P-C4' energy: -11.660
flat angles C4'-P-C4' energy: -13.508
flat angles P-C4'-P energy: -9.635
tors. eta vs tors. theta energy: -15.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -179.260830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.260830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.260830 (E_RNA)
where:
Base-Base interactions energy: -115.157
where: short stacking energy: -49.216
Base-Backbone interact. energy: -0.005
local terms energy: -64.098794
where:
bonds (distance) C4'-P energy: -12.150
bonds (distance) P-C4' energy: -13.847
flat angles C4'-P-C4' energy: -10.532
flat angles P-C4'-P energy: -9.329
tors. eta vs tors. theta energy: -18.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -183.958589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.958589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.958589 (E_RNA)
where:
Base-Base interactions energy: -123.072
where: short stacking energy: -36.573
Base-Backbone interact. energy: -0.117
local terms energy: -60.769766
where:
bonds (distance) C4'-P energy: -12.974
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -12.849
flat angles P-C4'-P energy: -9.498
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: 4, replica: 3
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -177.363889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.363889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.363889 (E_RNA)
where:
Base-Base interactions energy: -111.648
where: short stacking energy: -44.867
Base-Backbone interact. energy: -0.008
local terms energy: -65.707725
where:
bonds (distance) C4'-P energy: -13.834
bonds (distance) P-C4' energy: -12.799
flat angles C4'-P-C4' energy: -14.397
flat angles P-C4'-P energy: -9.503
tors. eta vs tors. theta energy: -15.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -128.587599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.587599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.587599 (E_RNA)
where:
Base-Base interactions energy: -76.291
where: short stacking energy: -33.245
Base-Backbone interact. energy: -0.013
local terms energy: -52.283843
where:
bonds (distance) C4'-P energy: -12.451
bonds (distance) P-C4' energy: -12.524
flat angles C4'-P-C4' energy: -11.236
flat angles P-C4'-P energy: -5.712
tors. eta vs tors. theta energy: -10.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -68.027558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.027558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.027558 (E_RNA)
where:
Base-Base interactions energy: -24.190
where: short stacking energy: -20.623
Base-Backbone interact. energy: -0.030
local terms energy: -43.807916
where:
bonds (distance) C4'-P energy: -10.300
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -7.172
flat angles P-C4'-P energy: -6.805
tors. eta vs tors. theta energy: -4.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -72.550625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.550625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.550625 (E_RNA)
where:
Base-Base interactions energy: -28.201
where: short stacking energy: -9.018
Base-Backbone interact. energy: -1.135
local terms energy: -43.214872
where:
bonds (distance) C4'-P energy: -6.208
bonds (distance) P-C4' energy: -12.067
flat angles C4'-P-C4' energy: -11.929
flat angles P-C4'-P energy: -7.844
tors. eta vs tors. theta energy: -5.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -93.471410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.471410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.471410 (E_RNA)
where:
Base-Base interactions energy: -51.268
where: short stacking energy: -16.634
Base-Backbone interact. energy: -1.550
local terms energy: -40.653172
where:
bonds (distance) C4'-P energy: -13.702
bonds (distance) P-C4' energy: -14.061
flat angles C4'-P-C4' energy: -4.963
flat angles P-C4'-P energy: -5.556
tors. eta vs tors. theta energy: -2.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -61.053965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.053965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.053965 (E_RNA)
where:
Base-Base interactions energy: -24.546
where: short stacking energy: -7.902
Base-Backbone interact. energy: -0.140
local terms energy: -36.367941
where:
bonds (distance) C4'-P energy: -11.471
bonds (distance) P-C4' energy: -9.759
flat angles C4'-P-C4' energy: -12.526
flat angles P-C4'-P energy: -7.007
tors. eta vs tors. theta energy: 4.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -62.511629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.511629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.511629 (E_RNA)
where:
Base-Base interactions energy: -24.405
where: short stacking energy: -24.405
Base-Backbone interact. energy: -0.020
local terms energy: -38.086673
where:
bonds (distance) C4'-P energy: -8.035
bonds (distance) P-C4' energy: -13.121
flat angles C4'-P-C4' energy: -6.107
flat angles P-C4'-P energy: -6.206
tors. eta vs tors. theta energy: -4.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -177.765078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.765078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.765078 (E_RNA)
where:
Base-Base interactions energy: -117.442
where: short stacking energy: -46.656
Base-Backbone interact. energy: -0.092
local terms energy: -60.231732
where:
bonds (distance) C4'-P energy: -12.597
bonds (distance) P-C4' energy: -15.125
flat angles C4'-P-C4' energy: -11.450
flat angles P-C4'-P energy: -3.472
tors. eta vs tors. theta energy: -17.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -178.133394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.133394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.133394 (E_RNA)
where:
Base-Base interactions energy: -113.348
where: short stacking energy: -43.764
Base-Backbone interact. energy: 0.543
local terms energy: -65.327814
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -12.186
flat angles C4'-P-C4' energy: -12.746
flat angles P-C4'-P energy: -9.442
tors. eta vs tors. theta energy: -16.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -170.509344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.509344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.509344 (E_RNA)
where:
Base-Base interactions energy: -109.180
where: short stacking energy: -35.319
Base-Backbone interact. energy: -0.006
local terms energy: -61.323966
where:
bonds (distance) C4'-P energy: -11.685
bonds (distance) P-C4' energy: -14.231
flat angles C4'-P-C4' energy: -12.091
flat angles P-C4'-P energy: -7.444
tors. eta vs tors. theta energy: -15.873
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: 4, replica: 3
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -171.394575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.394575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.394575 (E_RNA)
where:
Base-Base interactions energy: -115.262
where: short stacking energy: -45.442
Base-Backbone interact. energy: 0.004
local terms energy: -56.136364
where:
bonds (distance) C4'-P energy: -8.035
bonds (distance) P-C4' energy: -14.432
flat angles C4'-P-C4' energy: -11.017
flat angles P-C4'-P energy: -7.957
tors. eta vs tors. theta energy: -14.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -122.612715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.612715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.612715 (E_RNA)
where:
Base-Base interactions energy: -73.910
where: short stacking energy: -30.734
Base-Backbone interact. energy: -0.040
local terms energy: -48.662324
where:
bonds (distance) C4'-P energy: -8.623
bonds (distance) P-C4' energy: -12.820
flat angles C4'-P-C4' energy: -10.378
flat angles P-C4'-P energy: -5.143
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: 6, replica: 2
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -70.140679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.140679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.140679 (E_RNA)
where:
Base-Base interactions energy: -20.091
where: short stacking energy: -18.730
Base-Backbone interact. energy: -0.002
local terms energy: -50.048015
where:
bonds (distance) C4'-P energy: -13.023
bonds (distance) P-C4' energy: -13.634
flat angles C4'-P-C4' energy: -10.988
flat angles P-C4'-P energy: -5.350
tors. eta vs tors. theta energy: -7.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -71.226308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.226308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.226308 (E_RNA)
where:
Base-Base interactions energy: -27.366
where: short stacking energy: -17.489
Base-Backbone interact. energy: -0.271
local terms energy: -43.588667
where:
bonds (distance) C4'-P energy: -10.849
bonds (distance) P-C4' energy: -12.243
flat angles C4'-P-C4' energy: -9.281
flat angles P-C4'-P energy: -8.813
tors. eta vs tors. theta energy: -2.403
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: 8, replica: 8
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -97.804929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.804929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.804929 (E_RNA)
where:
Base-Base interactions energy: -56.601
where: short stacking energy: -16.381
Base-Backbone interact. energy: -0.189
local terms energy: -41.015394
where:
bonds (distance) C4'-P energy: -10.107
bonds (distance) P-C4' energy: -10.367
flat angles C4'-P-C4' energy: -11.549
flat angles P-C4'-P energy: -3.642
tors. eta vs tors. theta energy: -5.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -61.722298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.722298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.722298 (E_RNA)
where:
Base-Base interactions energy: -27.370
where: short stacking energy: -16.229
Base-Backbone interact. energy: 0.441
local terms energy: -34.792902
where:
bonds (distance) C4'-P energy: -8.916
bonds (distance) P-C4' energy: -12.829
flat angles C4'-P-C4' energy: -7.897
flat angles P-C4'-P energy: -3.916
tors. eta vs tors. theta energy: -1.235
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: 201
Temperature: 1.350000
Total energy: -62.416972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.416972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.416972 (E_RNA)
where:
Base-Base interactions energy: -20.364
where: short stacking energy: -20.112
Base-Backbone interact. energy: -0.310
local terms energy: -41.742875
where:
bonds (distance) C4'-P energy: -9.095
bonds (distance) P-C4' energy: -11.024
flat angles C4'-P-C4' energy: -12.406
flat angles P-C4'-P energy: -3.751
tors. eta vs tors. theta energy: -5.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -181.538376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.538376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.538376 (E_RNA)
where:
Base-Base interactions energy: -112.957
where: short stacking energy: -44.126
Base-Backbone interact. energy: -0.024
local terms energy: -68.557245
where:
bonds (distance) C4'-P energy: -14.199
bonds (distance) P-C4' energy: -13.283
flat angles C4'-P-C4' energy: -13.005
flat angles P-C4'-P energy: -10.773
tors. eta vs tors. theta energy: -17.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -176.061590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.061590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.061590 (E_RNA)
where:
Base-Base interactions energy: -113.194
where: short stacking energy: -46.380
Base-Backbone interact. energy: 1.739
local terms energy: -64.606791
where:
bonds (distance) C4'-P energy: -12.865
bonds (distance) P-C4' energy: -14.425
flat angles C4'-P-C4' energy: -12.854
flat angles P-C4'-P energy: -9.943
tors. eta vs tors. theta energy: -14.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -166.151135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.151135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.151135 (E_RNA)
where:
Base-Base interactions energy: -106.001
where: short stacking energy: -40.363
Base-Backbone interact. energy: -0.184
local terms energy: -59.965901
where:
bonds (distance) C4'-P energy: -14.911
bonds (distance) P-C4' energy: -13.373
flat angles C4'-P-C4' energy: -10.195
flat angles P-C4'-P energy: -7.203
tors. eta vs tors. theta energy: -14.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -171.304050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.304050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.304050 (E_RNA)
where:
Base-Base interactions energy: -111.613
where: short stacking energy: -41.261
Base-Backbone interact. energy: -0.050
local terms energy: -59.640563
where:
bonds (distance) C4'-P energy: -13.478
bonds (distance) P-C4' energy: -12.595
flat angles C4'-P-C4' energy: -9.560
flat angles P-C4'-P energy: -9.857
tors. eta vs tors. theta energy: -14.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -96.194975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.194975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.194975 (E_RNA)
where:
Base-Base interactions energy: -54.618
where: short stacking energy: -18.179
Base-Backbone interact. energy: -0.187
local terms energy: -41.389386
where:
bonds (distance) C4'-P energy: -9.790
bonds (distance) P-C4' energy: -13.306
flat angles C4'-P-C4' energy: -10.804
flat angles P-C4'-P energy: -3.706
tors. eta vs tors. theta energy: -3.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -122.058824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.058824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.058824 (E_RNA)
where:
Base-Base interactions energy: -72.775
where: short stacking energy: -33.626
Base-Backbone interact. energy: -0.071
local terms energy: -49.213251
where:
bonds (distance) C4'-P energy: -6.206
bonds (distance) P-C4' energy: -12.508
flat angles C4'-P-C4' energy: -13.951
flat angles P-C4'-P energy: -7.392
tors. eta vs tors. theta energy: -9.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -68.365509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.365509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.365509 (E_RNA)
where:
Base-Base interactions energy: -31.314
where: short stacking energy: -15.612
Base-Backbone interact. energy: -0.210
local terms energy: -36.840797
where:
bonds (distance) C4'-P energy: -8.578
bonds (distance) P-C4' energy: -10.116
flat angles C4'-P-C4' energy: -9.992
flat angles P-C4'-P energy: -8.484
tors. eta vs tors. theta energy: 0.330
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: 4
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -60.411618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.411618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.411618 (E_RNA)
where:
Base-Base interactions energy: -25.101
where: short stacking energy: -7.765
Base-Backbone interact. energy: -0.260
local terms energy: -35.050194
where:
bonds (distance) C4'-P energy: -8.601
bonds (distance) P-C4' energy: -12.649
flat angles C4'-P-C4' energy: -8.159
flat angles P-C4'-P energy: -10.376
tors. eta vs tors. theta energy: 4.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -56.968837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.968837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.968837 (E_RNA)
where:
Base-Base interactions energy: -27.041
where: short stacking energy: -11.986
Base-Backbone interact. energy: -0.130
local terms energy: -29.798428
where:
bonds (distance) C4'-P energy: -8.987
bonds (distance) P-C4' energy: -15.048
flat angles C4'-P-C4' energy: -9.731
flat angles P-C4'-P energy: -2.938
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: 10, replica: 5
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -59.536257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.536257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.536257 (E_RNA)
where:
Base-Base interactions energy: -26.812
where: short stacking energy: -11.104
Base-Backbone interact. energy: -0.332
local terms energy: -32.392259
where:
bonds (distance) C4'-P energy: -9.509
bonds (distance) P-C4' energy: -11.644
flat angles C4'-P-C4' energy: -10.419
flat angles P-C4'-P energy: -4.928
tors. eta vs tors. theta energy: 4.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -180.855098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.855098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.855098 (E_RNA)
where:
Base-Base interactions energy: -122.334
where: short stacking energy: -39.053
Base-Backbone interact. energy: -0.098
local terms energy: -58.423277
where:
bonds (distance) C4'-P energy: -12.543
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -11.541
flat angles P-C4'-P energy: -9.406
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: 2, replica: 3
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -160.503392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.503392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.503392 (E_RNA)
where:
Base-Base interactions energy: -99.473
where: short stacking energy: -42.211
Base-Backbone interact. energy: -0.004
local terms energy: -61.026623
where:
bonds (distance) C4'-P energy: -13.123
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -12.205
flat angles P-C4'-P energy: -10.529
tors. eta vs tors. theta energy: -11.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -173.886627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.886627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.886627 (E_RNA)
where:
Base-Base interactions energy: -113.049
where: short stacking energy: -37.800
Base-Backbone interact. energy: -0.024
local terms energy: -60.813765
where:
bonds (distance) C4'-P energy: -13.255
bonds (distance) P-C4' energy: -11.743
flat angles C4'-P-C4' energy: -14.361
flat angles P-C4'-P energy: -9.382
tors. eta vs tors. theta energy: -12.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -170.307316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.307316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.307316 (E_RNA)
where:
Base-Base interactions energy: -109.062
where: short stacking energy: -43.953
Base-Backbone interact. energy: -0.634
local terms energy: -60.610626
where:
bonds (distance) C4'-P energy: -12.042
bonds (distance) P-C4' energy: -12.144
flat angles C4'-P-C4' energy: -11.726
flat angles P-C4'-P energy: -9.683
tors. eta vs tors. theta energy: -15.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -79.922075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.922075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.922075 (E_RNA)
where:
Base-Base interactions energy: -27.628
where: short stacking energy: -27.216
Base-Backbone interact. energy: 0.889
local terms energy: -53.182218
where:
bonds (distance) C4'-P energy: -13.521
bonds (distance) P-C4' energy: -11.733
flat angles C4'-P-C4' energy: -10.964
flat angles P-C4'-P energy: -8.909
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: 8
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -70.968444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.968444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.968444 (E_RNA)
where:
Base-Base interactions energy: -21.940
where: short stacking energy: -21.249
Base-Backbone interact. energy: -0.189
local terms energy: -48.838897
where:
bonds (distance) C4'-P energy: -11.474
bonds (distance) P-C4' energy: -12.706
flat angles C4'-P-C4' energy: -11.284
flat angles P-C4'-P energy: -7.407
tors. eta vs tors. theta energy: -5.967
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: 9
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -146.818733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.818733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.818733 (E_RNA)
where:
Base-Base interactions energy: -94.578
where: short stacking energy: -35.181
Base-Backbone interact. energy: -0.079
local terms energy: -52.162071
where:
bonds (distance) C4'-P energy: -12.999
bonds (distance) P-C4' energy: -6.665
flat angles C4'-P-C4' energy: -11.025
flat angles P-C4'-P energy: -8.647
tors. eta vs tors. theta energy: -12.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -80.856072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.856072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.856072 (E_RNA)
where:
Base-Base interactions energy: -34.167
where: short stacking energy: -19.347
Base-Backbone interact. energy: -0.116
local terms energy: -46.572516
where:
bonds (distance) C4'-P energy: -8.151
bonds (distance) P-C4' energy: -14.131
flat angles C4'-P-C4' energy: -11.095
flat angles P-C4'-P energy: -8.345
tors. eta vs tors. theta energy: -4.850
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: 203
Temperature: 1.300000
Total energy: -59.109161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.109161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.109161 (E_RNA)
where:
Base-Base interactions energy: -17.823
where: short stacking energy: -12.440
Base-Backbone interact. energy: -0.323
local terms energy: -40.963304
where:
bonds (distance) C4'-P energy: -10.522
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -12.154
flat angles P-C4'-P energy: -7.622
tors. eta vs tors. theta energy: 3.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -64.616346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.616346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.616346 (E_RNA)
where:
Base-Base interactions energy: -15.820
where: short stacking energy: -15.820
Base-Backbone interact. energy: -0.027
local terms energy: -48.769277
where:
bonds (distance) C4'-P energy: -12.572
bonds (distance) P-C4' energy: -9.930
flat angles C4'-P-C4' energy: -10.370
flat angles P-C4'-P energy: -9.066
tors. eta vs tors. theta energy: -6.830
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: 1, replica: 6
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -177.072407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.072407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.072407 (E_RNA)
where:
Base-Base interactions energy: -117.720
where: short stacking energy: -40.762
Base-Backbone interact. energy: -0.179
local terms energy: -59.172845
where:
bonds (distance) C4'-P energy: -9.052
bonds (distance) P-C4' energy: -13.755
flat angles C4'-P-C4' energy: -12.300
flat angles P-C4'-P energy: -9.361
tors. eta vs tors. theta energy: -14.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -176.837657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.837657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.837657 (E_RNA)
where:
Base-Base interactions energy: -125.479
where: short stacking energy: -39.958
Base-Backbone interact. energy: -0.055
local terms energy: -51.304178
where:
bonds (distance) C4'-P energy: -8.784
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -9.328
flat angles P-C4'-P energy: -8.234
tors. eta vs tors. theta energy: -11.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -170.359492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.359492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.359492 (E_RNA)
where:
Base-Base interactions energy: -113.216
where: short stacking energy: -39.807
Base-Backbone interact. energy: -0.067
local terms energy: -57.076177
where:
bonds (distance) C4'-P energy: -7.653
bonds (distance) P-C4' energy: -14.650
flat angles C4'-P-C4' energy: -14.853
flat angles P-C4'-P energy: -8.968
tors. eta vs tors. theta energy: -10.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -172.215605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.215605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.215605 (E_RNA)
where:
Base-Base interactions energy: -114.923
where: short stacking energy: -47.303
Base-Backbone interact. energy: -0.034
local terms energy: -57.258415
where:
bonds (distance) C4'-P energy: -9.450
bonds (distance) P-C4' energy: -11.785
flat angles C4'-P-C4' energy: -12.534
flat angles P-C4'-P energy: -7.539
tors. eta vs tors. theta energy: -15.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -77.591644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.591644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.591644 (E_RNA)
where:
Base-Base interactions energy: -30.094
where: short stacking energy: -16.835
Base-Backbone interact. energy: -0.064
local terms energy: -47.433748
where:
bonds (distance) C4'-P energy: -12.502
bonds (distance) P-C4' energy: -13.275
flat angles C4'-P-C4' energy: -10.272
flat angles P-C4'-P energy: -7.726
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: 6, replica: 2
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -71.045750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.045750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.045750 (E_RNA)
where:
Base-Base interactions energy: -33.037
where: short stacking energy: -20.451
Base-Backbone interact. energy: -0.177
local terms energy: -37.831747
where:
bonds (distance) C4'-P energy: -9.070
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -8.379
flat angles P-C4'-P energy: -4.083
tors. eta vs tors. theta energy: -1.723
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: 7, replica: 9
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -146.574438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.574438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.574438 (E_RNA)
where:
Base-Base interactions energy: -94.228
where: short stacking energy: -40.466
Base-Backbone interact. energy: -0.076
local terms energy: -52.270246
where:
bonds (distance) C4'-P energy: -10.698
bonds (distance) P-C4' energy: -11.771
flat angles C4'-P-C4' energy: -9.237
flat angles P-C4'-P energy: -7.986
tors. eta vs tors. theta energy: -12.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -104.191861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.191861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.191861 (E_RNA)
where:
Base-Base interactions energy: -65.846
where: short stacking energy: -27.544
Base-Backbone interact. energy: -0.156
local terms energy: -38.189935
where:
bonds (distance) C4'-P energy: -5.543
bonds (distance) P-C4' energy: -12.088
flat angles C4'-P-C4' energy: -11.231
flat angles P-C4'-P energy: 2.223
tors. eta vs tors. theta energy: -11.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -60.958719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.958719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.958719 (E_RNA)
where:
Base-Base interactions energy: -19.699
where: short stacking energy: -11.240
Base-Backbone interact. energy: -0.047
local terms energy: -41.212901
where:
bonds (distance) C4'-P energy: -11.036
bonds (distance) P-C4' energy: -14.293
flat angles C4'-P-C4' energy: -8.994
flat angles P-C4'-P energy: -6.325
tors. eta vs tors. theta energy: -0.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -59.874086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.874086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.874086 (E_RNA)
where:
Base-Base interactions energy: -19.202
where: short stacking energy: -11.988
Base-Backbone interact. energy: -0.148
local terms energy: -40.523119
where:
bonds (distance) C4'-P energy: -8.912
bonds (distance) P-C4' energy: -13.085
flat angles C4'-P-C4' energy: -7.099
flat angles P-C4'-P energy: -6.824
tors. eta vs tors. theta energy: -4.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -183.533020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.533020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.533020 (E_RNA)
where:
Base-Base interactions energy: -115.614
where: short stacking energy: -53.330
Base-Backbone interact. energy: -0.005
local terms energy: -67.914460
where:
bonds (distance) C4'-P energy: -13.429
bonds (distance) P-C4' energy: -13.122
flat angles C4'-P-C4' energy: -12.342
flat angles P-C4'-P energy: -11.271
tors. eta vs tors. theta energy: -17.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -179.775098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.775098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.775098 (E_RNA)
where:
Base-Base interactions energy: -116.735
where: short stacking energy: -46.525
Base-Backbone interact. energy: -0.173
local terms energy: -62.866929
where:
bonds (distance) C4'-P energy: -11.011
bonds (distance) P-C4' energy: -14.280
flat angles C4'-P-C4' energy: -13.906
flat angles P-C4'-P energy: -7.623
tors. eta vs tors. theta energy: -16.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -164.827293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.827293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.827293 (E_RNA)
where:
Base-Base interactions energy: -110.423
where: short stacking energy: -40.733
Base-Backbone interact. energy: -0.024
local terms energy: -54.381115
where:
bonds (distance) C4'-P energy: -10.630
bonds (distance) P-C4' energy: -12.426
flat angles C4'-P-C4' energy: -9.207
flat angles P-C4'-P energy: -8.307
tors. eta vs tors. theta energy: -13.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -178.481344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.481344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.481344 (E_RNA)
where:
Base-Base interactions energy: -113.421
where: short stacking energy: -49.769
Base-Backbone interact. energy: 0.046
local terms energy: -65.106008
where:
bonds (distance) C4'-P energy: -14.981
bonds (distance) P-C4' energy: -12.785
flat angles C4'-P-C4' energy: -13.315
flat angles P-C4'-P energy: -5.355
tors. eta vs tors. theta energy: -18.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -78.494530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.494530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.494530 (E_RNA)
where:
Base-Base interactions energy: -31.313
where: short stacking energy: -25.747
Base-Backbone interact. energy: -1.051
local terms energy: -46.130705
where:
bonds (distance) C4'-P energy: -11.606
bonds (distance) P-C4' energy: -12.339
flat angles C4'-P-C4' energy: -8.974
flat angles P-C4'-P energy: -9.837
tors. eta vs tors. theta energy: -3.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -99.186346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.186346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.186346 (E_RNA)
where:
Base-Base interactions energy: -52.281
where: short stacking energy: -24.122
Base-Backbone interact. energy: -0.085
local terms energy: -46.820089
where:
bonds (distance) C4'-P energy: -12.721
bonds (distance) P-C4' energy: -11.236
flat angles C4'-P-C4' energy: -7.446
flat angles P-C4'-P energy: -8.752
tors. eta vs tors. theta energy: -6.665
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: 2
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -80.909996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.909996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.909996 (E_RNA)
where:
Base-Base interactions energy: -28.468
where: short stacking energy: -26.633
Base-Backbone interact. energy: -0.082
local terms energy: -52.360225
where:
bonds (distance) C4'-P energy: -13.346
bonds (distance) P-C4' energy: -11.715
flat angles C4'-P-C4' energy: -10.754
flat angles P-C4'-P energy: -7.503
tors. eta vs tors. theta energy: -9.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -70.736938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.736938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.736938 (E_RNA)
where:
Base-Base interactions energy: -31.392
where: short stacking energy: -15.472
Base-Backbone interact. energy: 0.786
local terms energy: -40.131711
where:
bonds (distance) C4'-P energy: -11.835
bonds (distance) P-C4' energy: -9.851
flat angles C4'-P-C4' energy: -7.700
flat angles P-C4'-P energy: -4.021
tors. eta vs tors. theta energy: -6.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -56.667587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.667587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.667587 (E_RNA)
where:
Base-Base interactions energy: -23.963
where: short stacking energy: -20.418
Base-Backbone interact. energy: -0.214
local terms energy: -32.490630
where:
bonds (distance) C4'-P energy: -7.033
bonds (distance) P-C4' energy: -10.802
flat angles C4'-P-C4' energy: -6.487
flat angles P-C4'-P energy: -5.367
tors. eta vs tors. theta energy: -2.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -57.707535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.707535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.707535 (E_RNA)
where:
Base-Base interactions energy: -18.103
where: short stacking energy: -10.725
Base-Backbone interact. energy: -0.064
local terms energy: -39.540821
where:
bonds (distance) C4'-P energy: -11.550
bonds (distance) P-C4' energy: -10.655
flat angles C4'-P-C4' energy: -10.930
flat angles P-C4'-P energy: -6.750
tors. eta vs tors. theta energy: 0.345
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: 6
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -183.649212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.649212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.649212 (E_RNA)
where:
Base-Base interactions energy: -114.797
where: short stacking energy: -53.145
Base-Backbone interact. energy: -0.635
local terms energy: -68.216909
where:
bonds (distance) C4'-P energy: -12.370
bonds (distance) P-C4' energy: -14.005
flat angles C4'-P-C4' energy: -13.405
flat angles P-C4'-P energy: -10.847
tors. eta vs tors. theta energy: -17.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -176.081767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.081767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.081767 (E_RNA)
where:
Base-Base interactions energy: -112.860
where: short stacking energy: -46.809
Base-Backbone interact. energy: -0.001
local terms energy: -63.220327
where:
bonds (distance) C4'-P energy: -13.822
bonds (distance) P-C4' energy: -10.715
flat angles C4'-P-C4' energy: -12.938
flat angles P-C4'-P energy: -8.345
tors. eta vs tors. theta energy: -17.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -175.911514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.911514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.911514 (E_RNA)
where:
Base-Base interactions energy: -114.451
where: short stacking energy: -40.578
Base-Backbone interact. energy: -0.335
local terms energy: -61.125008
where:
bonds (distance) C4'-P energy: -10.224
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -12.189
flat angles P-C4'-P energy: -10.052
tors. eta vs tors. theta energy: -14.299
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: 1
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -168.655932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.655932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.655932 (E_RNA)
where:
Base-Base interactions energy: -111.783
where: short stacking energy: -41.281
Base-Backbone interact. energy: -0.100
local terms energy: -56.772822
where:
bonds (distance) C4'-P energy: -10.693
bonds (distance) P-C4' energy: -13.607
flat angles C4'-P-C4' energy: -8.673
flat angles P-C4'-P energy: -8.740
tors. eta vs tors. theta energy: -15.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -72.837595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.837595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.837595 (E_RNA)
where:
Base-Base interactions energy: -21.385
where: short stacking energy: -15.986
Base-Backbone interact. energy: -0.247
local terms energy: -51.205605
where:
bonds (distance) C4'-P energy: -10.644
bonds (distance) P-C4' energy: -13.389
flat angles C4'-P-C4' energy: -12.881
flat angles P-C4'-P energy: -9.220
tors. eta vs tors. theta energy: -5.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -67.675133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.675133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.675133 (E_RNA)
where:
Base-Base interactions energy: -27.025
where: short stacking energy: -16.514
Base-Backbone interact. energy: -0.033
local terms energy: -40.617737
where:
bonds (distance) C4'-P energy: -8.220
bonds (distance) P-C4' energy: -14.843
flat angles C4'-P-C4' energy: -9.304
flat angles P-C4'-P energy: -7.188
tors. eta vs tors. theta energy: -1.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -69.423373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.423373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.423373 (E_RNA)
where:
Base-Base interactions energy: -26.489
where: short stacking energy: -24.753
Base-Backbone interact. energy: 0.157
local terms energy: -43.091534
where:
bonds (distance) C4'-P energy: -11.607
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -11.175
flat angles P-C4'-P energy: -4.501
tors. eta vs tors. theta energy: -0.998
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: 2
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -62.513066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.513066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.513066 (E_RNA)
where:
Base-Base interactions energy: -20.616
where: short stacking energy: -20.616
Base-Backbone interact. energy: -0.111
local terms energy: -41.786073
where:
bonds (distance) C4'-P energy: -10.274
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -11.514
flat angles P-C4'-P energy: -5.457
tors. eta vs tors. theta energy: 0.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -67.334718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.334718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.334718 (E_RNA)
where:
Base-Base interactions energy: -27.535
where: short stacking energy: -15.298
Base-Backbone interact. energy: -0.127
local terms energy: -39.672577
where:
bonds (distance) C4'-P energy: -12.339
bonds (distance) P-C4' energy: -14.192
flat angles C4'-P-C4' energy: -5.317
flat angles P-C4'-P energy: -3.966
tors. eta vs tors. theta energy: -3.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -64.406229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.406229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.406229 (E_RNA)
where:
Base-Base interactions energy: -34.239
where: short stacking energy: -10.308
Base-Backbone interact. energy: -0.033
local terms energy: -30.134413
where:
bonds (distance) C4'-P energy: -8.684
bonds (distance) P-C4' energy: -9.547
flat angles C4'-P-C4' energy: -7.957
flat angles P-C4'-P energy: -5.809
tors. eta vs tors. theta energy: 1.864
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: 6
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -181.378007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.378007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.378007 (E_RNA)
where:
Base-Base interactions energy: -120.714
where: short stacking energy: -44.137
Base-Backbone interact. energy: -0.417
local terms energy: -60.247423
where:
bonds (distance) C4'-P energy: -12.333
bonds (distance) P-C4' energy: -11.342
flat angles C4'-P-C4' energy: -12.294
flat angles P-C4'-P energy: -9.336
tors. eta vs tors. theta energy: -14.943
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: 2, replica: 3
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -181.868375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.868375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.868375 (E_RNA)
where:
Base-Base interactions energy: -117.853
where: short stacking energy: -50.077
Base-Backbone interact. energy: -0.360
local terms energy: -63.655173
where:
bonds (distance) C4'-P energy: -9.757
bonds (distance) P-C4' energy: -12.784
flat angles C4'-P-C4' energy: -14.921
flat angles P-C4'-P energy: -9.142
tors. eta vs tors. theta energy: -17.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -179.118187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.118187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.118187 (E_RNA)
where:
Base-Base interactions energy: -120.230
where: short stacking energy: -49.199
Base-Backbone interact. energy: 0.200
local terms energy: -59.088258
where:
bonds (distance) C4'-P energy: -10.423
bonds (distance) P-C4' energy: -8.305
flat angles C4'-P-C4' energy: -12.477
flat angles P-C4'-P energy: -9.710
tors. eta vs tors. theta energy: -18.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -167.971580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.971580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.971580 (E_RNA)
where:
Base-Base interactions energy: -113.475
where: short stacking energy: -35.874
Base-Backbone interact. energy: -0.047
local terms energy: -54.449491
where:
bonds (distance) C4'-P energy: -10.810
bonds (distance) P-C4' energy: -12.233
flat angles C4'-P-C4' energy: -10.526
flat angles P-C4'-P energy: -8.659
tors. eta vs tors. theta energy: -12.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -119.721962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.721962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.721962 (E_RNA)
where:
Base-Base interactions energy: -75.097
where: short stacking energy: -29.649
Base-Backbone interact. energy: -1.132
local terms energy: -43.492847
where:
bonds (distance) C4'-P energy: -7.365
bonds (distance) P-C4' energy: -11.277
flat angles C4'-P-C4' energy: -11.456
flat angles P-C4'-P energy: -5.423
tors. eta vs tors. theta energy: -7.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -66.695663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.695663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.695663 (E_RNA)
where:
Base-Base interactions energy: -22.991
where: short stacking energy: -18.170
Base-Backbone interact. energy: -0.181
local terms energy: -43.523491
where:
bonds (distance) C4'-P energy: -9.089
bonds (distance) P-C4' energy: -12.175
flat angles C4'-P-C4' energy: -11.853
flat angles P-C4'-P energy: -7.313
tors. eta vs tors. theta energy: -3.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -68.103253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.103253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.103253 (E_RNA)
where:
Base-Base interactions energy: -22.218
where: short stacking energy: -21.490
Base-Backbone interact. energy: -0.375
local terms energy: -45.510299
where:
bonds (distance) C4'-P energy: -12.679
bonds (distance) P-C4' energy: -10.434
flat angles C4'-P-C4' energy: -8.907
flat angles P-C4'-P energy: -8.206
tors. eta vs tors. theta energy: -5.284
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: 8, replica: 5
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -70.092446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.092446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.092446 (E_RNA)
where:
Base-Base interactions energy: -38.230
where: short stacking energy: -21.029
Base-Backbone interact. energy: -0.684
local terms energy: -31.178375
where:
bonds (distance) C4'-P energy: -6.880
bonds (distance) P-C4' energy: -10.027
flat angles C4'-P-C4' energy: -5.335
flat angles P-C4'-P energy: -5.459
tors. eta vs tors. theta energy: -3.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -62.680483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.680483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.680483 (E_RNA)
where:
Base-Base interactions energy: -32.012
where: short stacking energy: -18.591
Base-Backbone interact. energy: -0.303
local terms energy: -30.365902
where:
bonds (distance) C4'-P energy: -7.616
bonds (distance) P-C4' energy: -9.092
flat angles C4'-P-C4' energy: -9.109
flat angles P-C4'-P energy: -4.473
tors. eta vs tors. theta energy: -0.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -63.130901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.130901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.130901 (E_RNA)
where:
Base-Base interactions energy: -20.855
where: short stacking energy: -20.476
Base-Backbone interact. energy: -0.007
local terms energy: -42.269009
where:
bonds (distance) C4'-P energy: -10.927
bonds (distance) P-C4' energy: -5.222
flat angles C4'-P-C4' energy: -12.297
flat angles P-C4'-P energy: -8.337
tors. eta vs tors. theta energy: -5.486
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: 3
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -185.665812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.665812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.665812 (E_RNA)
where:
Base-Base interactions energy: -122.860
where: short stacking energy: -42.887
Base-Backbone interact. energy: -0.045
local terms energy: -62.760386
where:
bonds (distance) C4'-P energy: -11.544
bonds (distance) P-C4' energy: -11.870
flat angles C4'-P-C4' energy: -14.253
flat angles P-C4'-P energy: -7.531
tors. eta vs tors. theta energy: -17.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -175.387567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.387567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.387567 (E_RNA)
where:
Base-Base interactions energy: -115.957
where: short stacking energy: -41.219
Base-Backbone interact. energy: -0.038
local terms energy: -59.393385
where:
bonds (distance) C4'-P energy: -11.517
bonds (distance) P-C4' energy: -13.228
flat angles C4'-P-C4' energy: -12.396
flat angles P-C4'-P energy: -8.563
tors. eta vs tors. theta energy: -13.690
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: 3, replica: 7
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -173.780220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.780220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.780220 (E_RNA)
where:
Base-Base interactions energy: -114.384
where: short stacking energy: -44.577
Base-Backbone interact. energy: -0.781
local terms energy: -58.614714
where:
bonds (distance) C4'-P energy: -10.766
bonds (distance) P-C4' energy: -10.243
flat angles C4'-P-C4' energy: -13.366
flat angles P-C4'-P energy: -8.662
tors. eta vs tors. theta energy: -15.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -171.652534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.652534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.652534 (E_RNA)
where:
Base-Base interactions energy: -116.462
where: short stacking energy: -46.310
Base-Backbone interact. energy: -0.001
local terms energy: -55.190132
where:
bonds (distance) C4'-P energy: -9.482
bonds (distance) P-C4' energy: -11.700
flat angles C4'-P-C4' energy: -11.334
flat angles P-C4'-P energy: -5.129
tors. eta vs tors. theta energy: -17.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -97.681482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.681482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.681482 (E_RNA)
where:
Base-Base interactions energy: -50.795
where: short stacking energy: -21.064
Base-Backbone interact. energy: -0.090
local terms energy: -46.796227
where:
bonds (distance) C4'-P energy: -12.411
bonds (distance) P-C4' energy: -12.335
flat angles C4'-P-C4' energy: -11.027
flat angles P-C4'-P energy: -6.479
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: 6, replica: 8
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -75.101153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.101153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.101153 (E_RNA)
where:
Base-Base interactions energy: -21.015
where: short stacking energy: -19.255
Base-Backbone interact. energy: -3.080
local terms energy: -51.006523
where:
bonds (distance) C4'-P energy: -10.848
bonds (distance) P-C4' energy: -15.587
flat angles C4'-P-C4' energy: -12.838
flat angles P-C4'-P energy: -9.482
tors. eta vs tors. theta energy: -2.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -73.573439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.573439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.573439 (E_RNA)
where:
Base-Base interactions energy: -29.537
where: short stacking energy: -18.564
Base-Backbone interact. energy: -0.587
local terms energy: -43.449379
where:
bonds (distance) C4'-P energy: -10.095
bonds (distance) P-C4' energy: -13.659
flat angles C4'-P-C4' energy: -10.624
flat angles P-C4'-P energy: -5.691
tors. eta vs tors. theta energy: -3.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -88.273133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.273133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.273133 (E_RNA)
where:
Base-Base interactions energy: -41.755
where: short stacking energy: -19.627
Base-Backbone interact. energy: -0.781
local terms energy: -45.737525
where:
bonds (distance) C4'-P energy: -11.835
bonds (distance) P-C4' energy: -10.836
flat angles C4'-P-C4' energy: -10.537
flat angles P-C4'-P energy: -6.557
tors. eta vs tors. theta energy: -5.972
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: 10
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -94.750143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.750143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.750143 (E_RNA)
where:
Base-Base interactions energy: -55.772
where: short stacking energy: -16.197
Base-Backbone interact. energy: -0.507
local terms energy: -38.471381
where:
bonds (distance) C4'-P energy: -8.713
bonds (distance) P-C4' energy: -9.500
flat angles C4'-P-C4' energy: -10.648
flat angles P-C4'-P energy: -7.810
tors. eta vs tors. theta energy: -1.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -55.023966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.023966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.023966 (E_RNA)
where:
Base-Base interactions energy: -22.334
where: short stacking energy: -12.703
Base-Backbone interact. energy: -0.078
local terms energy: -32.612483
where:
bonds (distance) C4'-P energy: -8.573
bonds (distance) P-C4' energy: -8.873
flat angles C4'-P-C4' energy: -10.079
flat angles P-C4'-P energy: -6.533
tors. eta vs tors. theta energy: 1.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -177.554655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.554655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.554655 (E_RNA)
where:
Base-Base interactions energy: -116.485
where: short stacking energy: -42.990
Base-Backbone interact. energy: -0.554
local terms energy: -60.516481
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -9.914
flat angles C4'-P-C4' energy: -11.709
flat angles P-C4'-P energy: -9.360
tors. eta vs tors. theta energy: -16.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -176.451220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.451220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.451220 (E_RNA)
where:
Base-Base interactions energy: -114.859
where: short stacking energy: -40.159
Base-Backbone interact. energy: -0.150
local terms energy: -61.441714
where:
bonds (distance) C4'-P energy: -12.733
bonds (distance) P-C4' energy: -12.134
flat angles C4'-P-C4' energy: -12.855
flat angles P-C4'-P energy: -8.443
tors. eta vs tors. theta energy: -15.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -171.614463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.614463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.614463 (E_RNA)
where:
Base-Base interactions energy: -118.765
where: short stacking energy: -46.545
Base-Backbone interact. energy: -0.003
local terms energy: -52.846572
where:
bonds (distance) C4'-P energy: -7.574
bonds (distance) P-C4' energy: -11.178
flat angles C4'-P-C4' energy: -11.817
flat angles P-C4'-P energy: -7.482
tors. eta vs tors. theta energy: -14.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -171.720473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.720473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.720473 (E_RNA)
where:
Base-Base interactions energy: -109.540
where: short stacking energy: -38.962
Base-Backbone interact. energy: -0.101
local terms energy: -62.080048
where:
bonds (distance) C4'-P energy: -14.849
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -13.260
flat angles P-C4'-P energy: -10.027
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: 5, replica: 9
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -99.306635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.306635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.306635 (E_RNA)
where:
Base-Base interactions energy: -54.805
where: short stacking energy: -23.750
Base-Backbone interact. energy: 1.269
local terms energy: -45.770675
where:
bonds (distance) C4'-P energy: -13.405
bonds (distance) P-C4' energy: -12.046
flat angles C4'-P-C4' energy: -7.395
flat angles P-C4'-P energy: -7.924
tors. eta vs tors. theta energy: -5.001
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: 6, replica: 5
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -96.914176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.914176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.914176 (E_RNA)
where:
Base-Base interactions energy: -54.776
where: short stacking energy: -20.417
Base-Backbone interact. energy: -0.883
local terms energy: -41.255032
where:
bonds (distance) C4'-P energy: -12.050
bonds (distance) P-C4' energy: -10.647
flat angles C4'-P-C4' energy: -9.432
flat angles P-C4'-P energy: -7.329
tors. eta vs tors. theta energy: -1.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -62.462500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.462500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.462500 (E_RNA)
where:
Base-Base interactions energy: -17.371
where: short stacking energy: -11.871
Base-Backbone interact. energy: -0.164
local terms energy: -44.927382
where:
bonds (distance) C4'-P energy: -12.269
bonds (distance) P-C4' energy: -11.323
flat angles C4'-P-C4' energy: -10.137
flat angles P-C4'-P energy: -7.325
tors. eta vs tors. theta energy: -3.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -69.687988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.687988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.687988 (E_RNA)
where:
Base-Base interactions energy: -35.947
where: short stacking energy: -17.337
Base-Backbone interact. energy: -0.069
local terms energy: -33.672085
where:
bonds (distance) C4'-P energy: -4.918
bonds (distance) P-C4' energy: -9.414
flat angles C4'-P-C4' energy: -10.938
flat angles P-C4'-P energy: -6.014
tors. eta vs tors. theta energy: -2.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -69.741063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.741063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.741063 (E_RNA)
where:
Base-Base interactions energy: -25.937
where: short stacking energy: -16.715
Base-Backbone interact. energy: 0.358
local terms energy: -44.161982
where:
bonds (distance) C4'-P energy: -11.693
bonds (distance) P-C4' energy: -12.125
flat angles C4'-P-C4' energy: -10.777
flat angles P-C4'-P energy: -8.872
tors. eta vs tors. theta energy: -0.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -65.848349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.848349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.848349 (E_RNA)
where:
Base-Base interactions energy: -28.312
where: short stacking energy: -14.653
Base-Backbone interact. energy: 1.272
local terms energy: -38.808519
where:
bonds (distance) C4'-P energy: -12.659
bonds (distance) P-C4' energy: -9.827
flat angles C4'-P-C4' energy: -8.338
flat angles P-C4'-P energy: -6.764
tors. eta vs tors. theta energy: -1.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -181.301399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.301399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.301399 (E_RNA)
where:
Base-Base interactions energy: -116.494
where: short stacking energy: -50.563
Base-Backbone interact. energy: -0.000
local terms energy: -64.807126
where:
bonds (distance) C4'-P energy: -11.133
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -11.337
flat angles P-C4'-P energy: -10.552
tors. eta vs tors. theta energy: -17.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -180.630823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.630823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.630823 (E_RNA)
where:
Base-Base interactions energy: -120.267
where: short stacking energy: -50.824
Base-Backbone interact. energy: -0.793
local terms energy: -59.570703
where:
bonds (distance) C4'-P energy: -9.164
bonds (distance) P-C4' energy: -9.749
flat angles C4'-P-C4' energy: -15.625
flat angles P-C4'-P energy: -10.177
tors. eta vs tors. theta energy: -14.855
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: 210
Temperature: 1.000000
Total energy: -180.792937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.792937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.792937 (E_RNA)
where:
Base-Base interactions energy: -116.400
where: short stacking energy: -48.747
Base-Backbone interact. energy: -0.005
local terms energy: -64.388383
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -11.280
flat angles C4'-P-C4' energy: -12.156
flat angles P-C4'-P energy: -10.396
tors. eta vs tors. theta energy: -17.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -153.902637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.902637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.902637 (E_RNA)
where:
Base-Base interactions energy: -101.804
where: short stacking energy: -39.886
Base-Backbone interact. energy: -0.114
local terms energy: -51.985288
where:
bonds (distance) C4'-P energy: -6.774
bonds (distance) P-C4' energy: -12.514
flat angles C4'-P-C4' energy: -12.901
flat angles P-C4'-P energy: -8.510
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: 5
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -106.442612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.442612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.442612 (E_RNA)
where:
Base-Base interactions energy: -64.683
where: short stacking energy: -18.734
Base-Backbone interact. energy: -0.147
local terms energy: -41.612848
where:
bonds (distance) C4'-P energy: -11.764
bonds (distance) P-C4' energy: -10.697
flat angles C4'-P-C4' energy: -12.994
flat angles P-C4'-P energy: -4.712
tors. eta vs tors. theta energy: -1.446
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: 9
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -84.788764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.788764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.788764 (E_RNA)
where:
Base-Base interactions energy: -40.460
where: short stacking energy: -22.084
Base-Backbone interact. energy: -1.508
local terms energy: -42.820676
where:
bonds (distance) C4'-P energy: -8.849
bonds (distance) P-C4' energy: -12.272
flat angles C4'-P-C4' energy: -9.124
flat angles P-C4'-P energy: -9.304
tors. eta vs tors. theta energy: -3.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -62.691942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.691942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.691942 (E_RNA)
where:
Base-Base interactions energy: -25.582
where: short stacking energy: -22.495
Base-Backbone interact. energy: -0.171
local terms energy: -36.939287
where:
bonds (distance) C4'-P energy: -11.073
bonds (distance) P-C4' energy: -13.153
flat angles C4'-P-C4' energy: -8.064
flat angles P-C4'-P energy: -6.055
tors. eta vs tors. theta energy: 1.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -76.215709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.215709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.215709 (E_RNA)
where:
Base-Base interactions energy: -34.791
where: short stacking energy: -22.795
Base-Backbone interact. energy: -0.236
local terms energy: -41.188818
where:
bonds (distance) C4'-P energy: -9.029
bonds (distance) P-C4' energy: -11.330
flat angles C4'-P-C4' energy: -13.289
flat angles P-C4'-P energy: -4.362
tors. eta vs tors. theta energy: -3.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -54.027720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.027720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.027720 (E_RNA)
where:
Base-Base interactions energy: -19.739
where: short stacking energy: -12.724
Base-Backbone interact. energy: -0.069
local terms energy: -34.219989
where:
bonds (distance) C4'-P energy: -7.045
bonds (distance) P-C4' energy: -10.813
flat angles C4'-P-C4' energy: -10.276
flat angles P-C4'-P energy: -5.535
tors. eta vs tors. theta energy: -0.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -57.764519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.764519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.764519 (E_RNA)
where:
Base-Base interactions energy: -12.194
where: short stacking energy: -9.716
Base-Backbone interact. energy: -0.198
local terms energy: -45.372650
where:
bonds (distance) C4'-P energy: -8.758
bonds (distance) P-C4' energy: -14.353
flat angles C4'-P-C4' energy: -10.042
flat angles P-C4'-P energy: -10.360
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: 1, replica: 7
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -180.226688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.226688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.226688 (E_RNA)
where:
Base-Base interactions energy: -118.519
where: short stacking energy: -50.447
Base-Backbone interact. energy: -0.000
local terms energy: -61.707559
where:
bonds (distance) C4'-P energy: -13.844
bonds (distance) P-C4' energy: -11.196
flat angles C4'-P-C4' energy: -10.543
flat angles P-C4'-P energy: -11.611
tors. eta vs tors. theta energy: -14.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -178.143682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.143682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.143682 (E_RNA)
where:
Base-Base interactions energy: -119.713
where: short stacking energy: -38.277
Base-Backbone interact. energy: -0.244
local terms energy: -58.186407
where:
bonds (distance) C4'-P energy: -13.914
bonds (distance) P-C4' energy: -9.927
flat angles C4'-P-C4' energy: -10.678
flat angles P-C4'-P energy: -7.777
tors. eta vs tors. theta energy: -15.891
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: 3
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -175.090078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.090078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.090078 (E_RNA)
where:
Base-Base interactions energy: -115.911
where: short stacking energy: -46.206
Base-Backbone interact. energy: 0.500
local terms energy: -59.678437
where:
bonds (distance) C4'-P energy: -8.983
bonds (distance) P-C4' energy: -11.620
flat angles C4'-P-C4' energy: -12.678
flat angles P-C4'-P energy: -10.395
tors. eta vs tors. theta energy: -16.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -149.160986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.160986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.160986 (E_RNA)
where:
Base-Base interactions energy: -97.009
where: short stacking energy: -35.740
Base-Backbone interact. energy: -0.092
local terms energy: -52.060045
where:
bonds (distance) C4'-P energy: -5.812
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -12.223
flat angles P-C4'-P energy: -9.863
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: 5, replica: 5
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -76.356269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.356269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.356269 (E_RNA)
where:
Base-Base interactions energy: -30.189
where: short stacking energy: -17.097
Base-Backbone interact. energy: -0.107
local terms energy: -46.060251
where:
bonds (distance) C4'-P energy: -13.488
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -6.180
flat angles P-C4'-P energy: -10.209
tors. eta vs tors. theta energy: -2.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -80.431254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.431254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.431254 (E_RNA)
where:
Base-Base interactions energy: -38.324
where: short stacking energy: -20.888
Base-Backbone interact. energy: -0.010
local terms energy: -42.097113
where:
bonds (distance) C4'-P energy: -8.569
bonds (distance) P-C4' energy: -10.303
flat angles C4'-P-C4' energy: -8.647
flat angles P-C4'-P energy: -8.251
tors. eta vs tors. theta energy: -6.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -94.144629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.144629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.144629 (E_RNA)
where:
Base-Base interactions energy: -44.769
where: short stacking energy: -22.880
Base-Backbone interact. energy: -0.285
local terms energy: -49.090985
where:
bonds (distance) C4'-P energy: -11.777
bonds (distance) P-C4' energy: -13.447
flat angles C4'-P-C4' energy: -13.093
flat angles P-C4'-P energy: -6.916
tors. eta vs tors. theta energy: -3.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -62.322329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.322329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.322329 (E_RNA)
where:
Base-Base interactions energy: -19.584
where: short stacking energy: -13.825
Base-Backbone interact. energy: -0.520
local terms energy: -42.217877
where:
bonds (distance) C4'-P energy: -12.630
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -9.668
flat angles P-C4'-P energy: -7.027
tors. eta vs tors. theta energy: -0.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -61.057334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.057334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.057334 (E_RNA)
where:
Base-Base interactions energy: -20.868
where: short stacking energy: -14.065
Base-Backbone interact. energy: -1.021
local terms energy: -39.168533
where:
bonds (distance) C4'-P energy: -8.847
bonds (distance) P-C4' energy: -9.753
flat angles C4'-P-C4' energy: -10.670
flat angles P-C4'-P energy: -7.392
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: 4
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -68.435986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.435986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.435986 (E_RNA)
where:
Base-Base interactions energy: -29.691
where: short stacking energy: -12.014
Base-Backbone interact. energy: -0.521
local terms energy: -38.223104
where:
bonds (distance) C4'-P energy: -7.264
bonds (distance) P-C4' energy: -11.111
flat angles C4'-P-C4' energy: -7.584
flat angles P-C4'-P energy: -5.356
tors. eta vs tors. theta energy: -6.909
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: 1, replica: 1
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -177.641386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.641386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.641386 (E_RNA)
where:
Base-Base interactions energy: -114.821
where: short stacking energy: -45.786
Base-Backbone interact. energy: 0.172
local terms energy: -62.992124
where:
bonds (distance) C4'-P energy: -10.236
bonds (distance) P-C4' energy: -14.109
flat angles C4'-P-C4' energy: -13.209
flat angles P-C4'-P energy: -8.577
tors. eta vs tors. theta energy: -16.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -173.942048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.942048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.942048 (E_RNA)
where:
Base-Base interactions energy: -116.407
where: short stacking energy: -44.841
Base-Backbone interact. energy: -0.003
local terms energy: -57.532275
where:
bonds (distance) C4'-P energy: -14.369
bonds (distance) P-C4' energy: -12.260
flat angles C4'-P-C4' energy: -12.004
flat angles P-C4'-P energy: -2.084
tors. eta vs tors. theta energy: -16.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -182.240314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.240314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.240314 (E_RNA)
where:
Base-Base interactions energy: -115.345
where: short stacking energy: -46.438
Base-Backbone interact. energy: -0.015
local terms energy: -66.880595
where:
bonds (distance) C4'-P energy: -12.493
bonds (distance) P-C4' energy: -14.114
flat angles C4'-P-C4' energy: -12.909
flat angles P-C4'-P energy: -8.755
tors. eta vs tors. theta energy: -18.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -171.162079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.162079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.162079 (E_RNA)
where:
Base-Base interactions energy: -110.113
where: short stacking energy: -45.177
Base-Backbone interact. energy: -0.095
local terms energy: -60.953404
where:
bonds (distance) C4'-P energy: -12.909
bonds (distance) P-C4' energy: -12.852
flat angles C4'-P-C4' energy: -13.658
flat angles P-C4'-P energy: -6.735
tors. eta vs tors. theta energy: -14.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -92.104104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.104104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.104104 (E_RNA)
where:
Base-Base interactions energy: -54.240
where: short stacking energy: -23.942
Base-Backbone interact. energy: -0.079
local terms energy: -37.784498
where:
bonds (distance) C4'-P energy: -10.386
bonds (distance) P-C4' energy: -11.299
flat angles C4'-P-C4' energy: -9.303
flat angles P-C4'-P energy: -7.479
tors. eta vs tors. theta energy: 0.683
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: 5
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -111.464370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.464370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.464370 (E_RNA)
where:
Base-Base interactions energy: -66.910
where: short stacking energy: -27.021
Base-Backbone interact. energy: -0.285
local terms energy: -44.268695
where:
bonds (distance) C4'-P energy: -11.443
bonds (distance) P-C4' energy: -9.139
flat angles C4'-P-C4' energy: -10.783
flat angles P-C4'-P energy: -7.359
tors. eta vs tors. theta energy: -5.545
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: 9
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -67.335686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.335686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.335686 (E_RNA)
where:
Base-Base interactions energy: -28.087
where: short stacking energy: -14.139
Base-Backbone interact. energy: -0.085
local terms energy: -39.163212
where:
bonds (distance) C4'-P energy: -9.450
bonds (distance) P-C4' energy: -10.000
flat angles C4'-P-C4' energy: -9.556
flat angles P-C4'-P energy: -9.415
tors. eta vs tors. theta energy: -0.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -63.225907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.225907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.225907 (E_RNA)
where:
Base-Base interactions energy: -18.467
where: short stacking energy: -8.920
Base-Backbone interact. energy: 0.245
local terms energy: -45.003723
where:
bonds (distance) C4'-P energy: -13.114
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -10.536
flat angles P-C4'-P energy: -8.369
tors. eta vs tors. theta energy: 1.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -59.330045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.330045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.330045 (E_RNA)
where:
Base-Base interactions energy: -24.127
where: short stacking energy: -16.786
Base-Backbone interact. energy: -0.096
local terms energy: -35.106628
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -10.228
flat angles C4'-P-C4' energy: -9.456
flat angles P-C4'-P energy: -1.176
tors. eta vs tors. theta energy: -1.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -58.036207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.036207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.036207 (E_RNA)
where:
Base-Base interactions energy: -13.803
where: short stacking energy: -12.231
Base-Backbone interact. energy: -0.472
local terms energy: -43.761679
where:
bonds (distance) C4'-P energy: -10.345
bonds (distance) P-C4' energy: -14.431
flat angles C4'-P-C4' energy: -11.688
flat angles P-C4'-P energy: -6.650
tors. eta vs tors. theta energy: -0.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -177.619360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.619360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.619360 (E_RNA)
where:
Base-Base interactions energy: -115.664
where: short stacking energy: -51.722
Base-Backbone interact. energy: 0.063
local terms energy: -62.018621
where:
bonds (distance) C4'-P energy: -11.417
bonds (distance) P-C4' energy: -10.316
flat angles C4'-P-C4' energy: -15.350
flat angles P-C4'-P energy: -6.868
tors. eta vs tors. theta energy: -18.067
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: 7
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -170.942001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.942001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.942001 (E_RNA)
where:
Base-Base interactions energy: -115.866
where: short stacking energy: -40.023
Base-Backbone interact. energy: -0.056
local terms energy: -55.020485
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -9.432
flat angles C4'-P-C4' energy: -9.847
flat angles P-C4'-P energy: -7.292
tors. eta vs tors. theta energy: -15.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -173.759513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.759513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.759513 (E_RNA)
where:
Base-Base interactions energy: -115.223
where: short stacking energy: -47.071
Base-Backbone interact. energy: -0.005
local terms energy: -58.531920
where:
bonds (distance) C4'-P energy: -8.577
bonds (distance) P-C4' energy: -9.817
flat angles C4'-P-C4' energy: -11.920
flat angles P-C4'-P energy: -9.143
tors. eta vs tors. theta energy: -19.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -164.948452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.948452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.948452 (E_RNA)
where:
Base-Base interactions energy: -111.146
where: short stacking energy: -40.197
Base-Backbone interact. energy: -0.066
local terms energy: -53.736694
where:
bonds (distance) C4'-P energy: -13.065
bonds (distance) P-C4' energy: -7.351
flat angles C4'-P-C4' energy: -10.083
flat angles P-C4'-P energy: -8.772
tors. eta vs tors. theta energy: -14.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -68.525407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.525407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.525407 (E_RNA)
where:
Base-Base interactions energy: -26.118
where: short stacking energy: -26.118
Base-Backbone interact. energy: 0.162
local terms energy: -42.569210
where:
bonds (distance) C4'-P energy: -10.850
bonds (distance) P-C4' energy: -13.128
flat angles C4'-P-C4' energy: -7.381
flat angles P-C4'-P energy: -5.736
tors. eta vs tors. theta energy: -5.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -73.764524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.764524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.764524 (E_RNA)
where:
Base-Base interactions energy: -27.963
where: short stacking energy: -27.963
Base-Backbone interact. energy: -0.081
local terms energy: -45.720814
where:
bonds (distance) C4'-P energy: -9.625
bonds (distance) P-C4' energy: -11.315
flat angles C4'-P-C4' energy: -11.588
flat angles P-C4'-P energy: -7.111
tors. eta vs tors. theta energy: -6.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -100.295447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.295447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.295447 (E_RNA)
where:
Base-Base interactions energy: -51.405
where: short stacking energy: -31.679
Base-Backbone interact. energy: -1.153
local terms energy: -47.736923
where:
bonds (distance) C4'-P energy: -7.885
bonds (distance) P-C4' energy: -12.855
flat angles C4'-P-C4' energy: -12.483
flat angles P-C4'-P energy: -7.763
tors. eta vs tors. theta energy: -6.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -64.029559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.029559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.029559 (E_RNA)
where:
Base-Base interactions energy: -21.144
where: short stacking energy: -19.570
Base-Backbone interact. energy: -0.202
local terms energy: -42.683254
where:
bonds (distance) C4'-P energy: -12.343
bonds (distance) P-C4' energy: -13.343
flat angles C4'-P-C4' energy: -13.938
flat angles P-C4'-P energy: -4.875
tors. eta vs tors. theta energy: 1.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -71.835767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.835767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.835767 (E_RNA)
where:
Base-Base interactions energy: -18.678
where: short stacking energy: -15.708
Base-Backbone interact. energy: -1.617
local terms energy: -51.540672
where:
bonds (distance) C4'-P energy: -10.505
bonds (distance) P-C4' energy: -12.592
flat angles C4'-P-C4' energy: -12.423
flat angles P-C4'-P energy: -10.324
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: 2
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -57.100306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.100306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.100306 (E_RNA)
where:
Base-Base interactions energy: -19.768
where: short stacking energy: -5.764
Base-Backbone interact. energy: -0.652
local terms energy: -36.680165
where:
bonds (distance) C4'-P energy: -10.253
bonds (distance) P-C4' energy: -9.062
flat angles C4'-P-C4' energy: -7.964
flat angles P-C4'-P energy: -9.858
tors. eta vs tors. theta energy: 0.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -181.257982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.257982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.257982 (E_RNA)
where:
Base-Base interactions energy: -119.718
where: short stacking energy: -51.697
Base-Backbone interact. energy: 0.221
local terms energy: -61.760966
where:
bonds (distance) C4'-P energy: -9.509
bonds (distance) P-C4' energy: -12.647
flat angles C4'-P-C4' energy: -11.927
flat angles P-C4'-P energy: -10.913
tors. eta vs tors. theta energy: -16.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -174.373115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.373115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.373115 (E_RNA)
where:
Base-Base interactions energy: -112.757
where: short stacking energy: -43.455
Base-Backbone interact. energy: -0.123
local terms energy: -61.492501
where:
bonds (distance) C4'-P energy: -13.015
bonds (distance) P-C4' energy: -10.274
flat angles C4'-P-C4' energy: -12.901
flat angles P-C4'-P energy: -9.641
tors. eta vs tors. theta energy: -15.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -170.053640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.053640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.053640 (E_RNA)
where:
Base-Base interactions energy: -108.470
where: short stacking energy: -44.239
Base-Backbone interact. energy: -0.095
local terms energy: -61.488733
where:
bonds (distance) C4'-P energy: -10.970
bonds (distance) P-C4' energy: -10.661
flat angles C4'-P-C4' energy: -14.388
flat angles P-C4'-P energy: -9.359
tors. eta vs tors. theta energy: -16.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -175.470359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.470359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.470359 (E_RNA)
where:
Base-Base interactions energy: -114.673
where: short stacking energy: -48.776
Base-Backbone interact. energy: -0.001
local terms energy: -60.796992
where:
bonds (distance) C4'-P energy: -10.363
bonds (distance) P-C4' energy: -9.362
flat angles C4'-P-C4' energy: -12.711
flat angles P-C4'-P energy: -11.721
tors. eta vs tors. theta energy: -16.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -81.011338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.011338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.011338 (E_RNA)
where:
Base-Base interactions energy: -33.485
where: short stacking energy: -18.531
Base-Backbone interact. energy: -0.924
local terms energy: -46.602162
where:
bonds (distance) C4'-P energy: -12.427
bonds (distance) P-C4' energy: -13.312
flat angles C4'-P-C4' energy: -10.730
flat angles P-C4'-P energy: -8.132
tors. eta vs tors. theta energy: -2.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -66.609546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.609546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.609546 (E_RNA)
where:
Base-Base interactions energy: -21.311
where: short stacking energy: -18.798
Base-Backbone interact. energy: -0.007
local terms energy: -45.291290
where:
bonds (distance) C4'-P energy: -12.432
bonds (distance) P-C4' energy: -10.582
flat angles C4'-P-C4' energy: -12.957
flat angles P-C4'-P energy: -6.445
tors. eta vs tors. theta energy: -2.876
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: 8
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -61.742408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.742408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.742408 (E_RNA)
where:
Base-Base interactions energy: -29.897
where: short stacking energy: -18.880
Base-Backbone interact. energy: -0.292
local terms energy: -31.553205
where:
bonds (distance) C4'-P energy: -10.638
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -5.988
flat angles P-C4'-P energy: -0.951
tors. eta vs tors. theta energy: 0.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -64.711421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.711421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.711421 (E_RNA)
where:
Base-Base interactions energy: -25.531
where: short stacking energy: -8.448
Base-Backbone interact. energy: 0.259
local terms energy: -39.439189
where:
bonds (distance) C4'-P energy: -11.429
bonds (distance) P-C4' energy: -9.275
flat angles C4'-P-C4' energy: -10.517
flat angles P-C4'-P energy: -9.366
tors. eta vs tors. theta energy: 1.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -60.443531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.443531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.443531 (E_RNA)
where:
Base-Base interactions energy: -18.697
where: short stacking energy: -18.697
Base-Backbone interact. energy: 1.210
local terms energy: -42.956720
where:
bonds (distance) C4'-P energy: -10.725
bonds (distance) P-C4' energy: -10.707
flat angles C4'-P-C4' energy: -8.842
flat angles P-C4'-P energy: -8.249
tors. eta vs tors. theta energy: -4.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -64.761823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.761823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.761823 (E_RNA)
where:
Base-Base interactions energy: -23.744
where: short stacking energy: -12.516
Base-Backbone interact. energy: -1.099
local terms energy: -39.919485
where:
bonds (distance) C4'-P energy: -14.579
bonds (distance) P-C4' energy: -9.271
flat angles C4'-P-C4' energy: -6.663
flat angles P-C4'-P energy: -7.405
tors. eta vs tors. theta energy: -2.000
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: 7
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -181.958758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.958758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.958758 (E_RNA)
where:
Base-Base interactions energy: -115.762
where: short stacking energy: -50.783
Base-Backbone interact. energy: -0.041
local terms energy: -66.155688
where:
bonds (distance) C4'-P energy: -12.941
bonds (distance) P-C4' energy: -10.672
flat angles C4'-P-C4' energy: -14.927
flat angles P-C4'-P energy: -9.802
tors. eta vs tors. theta energy: -17.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -180.258254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.258254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.258254 (E_RNA)
where:
Base-Base interactions energy: -115.855
where: short stacking energy: -51.574
Base-Backbone interact. energy: -0.006
local terms energy: -64.396978
where:
bonds (distance) C4'-P energy: -12.068
bonds (distance) P-C4' energy: -13.248
flat angles C4'-P-C4' energy: -11.823
flat angles P-C4'-P energy: -9.698
tors. eta vs tors. theta energy: -17.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -172.874271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.874271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.874271 (E_RNA)
where:
Base-Base interactions energy: -108.612
where: short stacking energy: -35.143
Base-Backbone interact. energy: -0.001
local terms energy: -64.260875
where:
bonds (distance) C4'-P energy: -11.486
bonds (distance) P-C4' energy: -13.018
flat angles C4'-P-C4' energy: -13.812
flat angles P-C4'-P energy: -10.347
tors. eta vs tors. theta energy: -15.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -174.958226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.958226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.958226 (E_RNA)
where:
Base-Base interactions energy: -113.653
where: short stacking energy: -46.197
Base-Backbone interact. energy: -0.037
local terms energy: -61.268192
where:
bonds (distance) C4'-P energy: -10.030
bonds (distance) P-C4' energy: -13.748
flat angles C4'-P-C4' energy: -11.951
flat angles P-C4'-P energy: -9.468
tors. eta vs tors. theta energy: -16.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -90.522409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.522409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.522409 (E_RNA)
where:
Base-Base interactions energy: -40.059
where: short stacking energy: -34.905
Base-Backbone interact. energy: -0.106
local terms energy: -50.357948
where:
bonds (distance) C4'-P energy: -11.623
bonds (distance) P-C4' energy: -9.012
flat angles C4'-P-C4' energy: -10.897
flat angles P-C4'-P energy: -10.865
tors. eta vs tors. theta energy: -7.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -74.300969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.300969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.300969 (E_RNA)
where:
Base-Base interactions energy: -30.880
where: short stacking energy: -26.404
Base-Backbone interact. energy: -0.504
local terms energy: -42.916900
where:
bonds (distance) C4'-P energy: -12.174
bonds (distance) P-C4' energy: -10.042
flat angles C4'-P-C4' energy: -10.359
flat angles P-C4'-P energy: -6.386
tors. eta vs tors. theta energy: -3.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -79.212302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.212302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.212302 (E_RNA)
where:
Base-Base interactions energy: -31.676
where: short stacking energy: -31.676
Base-Backbone interact. energy: -0.021
local terms energy: -47.515240
where:
bonds (distance) C4'-P energy: -12.465
bonds (distance) P-C4' energy: -13.047
flat angles C4'-P-C4' energy: -10.896
flat angles P-C4'-P energy: -0.947
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: 8, replica: 2
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -69.346818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.346818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.346818 (E_RNA)
where:
Base-Base interactions energy: -17.668
where: short stacking energy: -17.668
Base-Backbone interact. energy: -0.050
local terms energy: -51.628516
where:
bonds (distance) C4'-P energy: -11.350
bonds (distance) P-C4' energy: -14.382
flat angles C4'-P-C4' energy: -11.351
flat angles P-C4'-P energy: -10.603
tors. eta vs tors. theta energy: -3.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -60.001998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.001998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.001998 (E_RNA)
where:
Base-Base interactions energy: -27.404
where: short stacking energy: -16.139
Base-Backbone interact. energy: -0.083
local terms energy: -32.514784
where:
bonds (distance) C4'-P energy: -8.726
bonds (distance) P-C4' energy: -9.227
flat angles C4'-P-C4' energy: -5.663
flat angles P-C4'-P energy: -9.180
tors. eta vs tors. theta energy: 0.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -61.605413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.605413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.605413 (E_RNA)
where:
Base-Base interactions energy: -35.033
where: short stacking energy: -12.253
Base-Backbone interact. energy: 0.075
local terms energy: -26.647746
where:
bonds (distance) C4'-P energy: -9.683
bonds (distance) P-C4' energy: -7.884
flat angles C4'-P-C4' energy: -9.064
flat angles P-C4'-P energy: -2.982
tors. eta vs tors. theta energy: 2.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -181.621173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.621173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.621173 (E_RNA)
where:
Base-Base interactions energy: -115.819
where: short stacking energy: -45.179
Base-Backbone interact. energy: -0.058
local terms energy: -65.744877
where:
bonds (distance) C4'-P energy: -14.215
bonds (distance) P-C4' energy: -13.615
flat angles C4'-P-C4' energy: -10.695
flat angles P-C4'-P energy: -9.274
tors. eta vs tors. theta energy: -17.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -171.204631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.204631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.204631 (E_RNA)
where:
Base-Base interactions energy: -111.565
where: short stacking energy: -42.409
Base-Backbone interact. energy: -1.021
local terms energy: -58.618817
where:
bonds (distance) C4'-P energy: -11.711
bonds (distance) P-C4' energy: -11.387
flat angles C4'-P-C4' energy: -12.229
flat angles P-C4'-P energy: -8.771
tors. eta vs tors. theta energy: -14.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -170.399450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.399450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.399450 (E_RNA)
where:
Base-Base interactions energy: -113.323
where: short stacking energy: -39.708
Base-Backbone interact. energy: -0.185
local terms energy: -56.890878
where:
bonds (distance) C4'-P energy: -9.911
bonds (distance) P-C4' energy: -12.726
flat angles C4'-P-C4' energy: -12.344
flat angles P-C4'-P energy: -6.874
tors. eta vs tors. theta energy: -15.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -168.471971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.471971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.471971 (E_RNA)
where:
Base-Base interactions energy: -114.450
where: short stacking energy: -41.083
Base-Backbone interact. energy: -0.980
local terms energy: -53.042530
where:
bonds (distance) C4'-P energy: -10.121
bonds (distance) P-C4' energy: -13.070
flat angles C4'-P-C4' energy: -12.620
flat angles P-C4'-P energy: -6.197
tors. eta vs tors. theta energy: -11.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -85.599729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.599729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.599729 (E_RNA)
where:
Base-Base interactions energy: -34.498
where: short stacking energy: -19.403
Base-Backbone interact. energy: -3.795
local terms energy: -47.306210
where:
bonds (distance) C4'-P energy: -12.685
bonds (distance) P-C4' energy: -10.845
flat angles C4'-P-C4' energy: -11.022
flat angles P-C4'-P energy: -9.225
tors. eta vs tors. theta energy: -3.529
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: 9
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -64.931344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.931344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.931344 (E_RNA)
where:
Base-Base interactions energy: -20.177
where: short stacking energy: -15.482
Base-Backbone interact. energy: -0.379
local terms energy: -44.376088
where:
bonds (distance) C4'-P energy: -14.315
bonds (distance) P-C4' energy: -12.766
flat angles C4'-P-C4' energy: -9.173
flat angles P-C4'-P energy: -6.419
tors. eta vs tors. theta energy: -1.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -77.561446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.561446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.561446 (E_RNA)
where:
Base-Base interactions energy: -37.476
where: short stacking energy: -20.300
Base-Backbone interact. energy: -0.060
local terms energy: -40.024891
where:
bonds (distance) C4'-P energy: -6.659
bonds (distance) P-C4' energy: -12.579
flat angles C4'-P-C4' energy: -8.810
flat angles P-C4'-P energy: -9.834
tors. eta vs tors. theta energy: -2.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -61.625050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.625050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.625050 (E_RNA)
where:
Base-Base interactions energy: -23.282
where: short stacking energy: -15.105
Base-Backbone interact. energy: -0.067
local terms energy: -38.275798
where:
bonds (distance) C4'-P energy: -11.772
bonds (distance) P-C4' energy: -10.352
flat angles C4'-P-C4' energy: -10.587
flat angles P-C4'-P energy: -6.379
tors. eta vs tors. theta energy: 0.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -68.709991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.709991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.709991 (E_RNA)
where:
Base-Base interactions energy: -35.390
where: short stacking energy: -22.885
Base-Backbone interact. energy: -0.148
local terms energy: -33.171349
where:
bonds (distance) C4'-P energy: -8.217
bonds (distance) P-C4' energy: -10.500
flat angles C4'-P-C4' energy: -7.468
flat angles P-C4'-P energy: -4.136
tors. eta vs tors. theta energy: -2.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -71.299431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.299431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.299431 (E_RNA)
where:
Base-Base interactions energy: -27.523
where: short stacking energy: -12.101
Base-Backbone interact. energy: 0.392
local terms energy: -44.168242
where:
bonds (distance) C4'-P energy: -10.076
bonds (distance) P-C4' energy: -10.507
flat angles C4'-P-C4' energy: -10.148
flat angles P-C4'-P energy: -10.189
tors. eta vs tors. theta energy: -3.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -189.062972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.062972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.062972 (E_RNA)
where:
Base-Base interactions energy: -120.989
where: short stacking energy: -50.364
Base-Backbone interact. energy: -0.008
local terms energy: -68.065596
where:
bonds (distance) C4'-P energy: -13.943
bonds (distance) P-C4' energy: -13.963
flat angles C4'-P-C4' energy: -12.507
flat angles P-C4'-P energy: -10.663
tors. eta vs tors. theta energy: -16.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -179.434894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.434894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.434894 (E_RNA)
where:
Base-Base interactions energy: -115.279
where: short stacking energy: -43.904
Base-Backbone interact. energy: -0.018
local terms energy: -64.137581
where:
bonds (distance) C4'-P energy: -13.060
bonds (distance) P-C4' energy: -14.023
flat angles C4'-P-C4' energy: -9.697
flat angles P-C4'-P energy: -11.106
tors. eta vs tors. theta energy: -16.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -167.628842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.628842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.628842 (E_RNA)
where:
Base-Base interactions energy: -104.854
where: short stacking energy: -37.412
Base-Backbone interact. energy: -0.184
local terms energy: -62.590588
where:
bonds (distance) C4'-P energy: -11.624
bonds (distance) P-C4' energy: -13.512
flat angles C4'-P-C4' energy: -12.089
flat angles P-C4'-P energy: -11.675
tors. eta vs tors. theta energy: -13.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -167.679749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.679749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.679749 (E_RNA)
where:
Base-Base interactions energy: -110.270
where: short stacking energy: -46.926
Base-Backbone interact. energy: -0.027
local terms energy: -57.382517
where:
bonds (distance) C4'-P energy: -12.741
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -12.298
flat angles P-C4'-P energy: -4.444
tors. eta vs tors. theta energy: -13.501
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: 10
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -70.095920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.095920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.095920 (E_RNA)
where:
Base-Base interactions energy: -28.615
where: short stacking energy: -18.020
Base-Backbone interact. energy: 0.912
local terms energy: -42.392666
where:
bonds (distance) C4'-P energy: -9.720
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -11.299
flat angles P-C4'-P energy: -6.734
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: 6, replica: 2
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -72.664774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.664774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.664774 (E_RNA)
where:
Base-Base interactions energy: -29.578
where: short stacking energy: -23.014
Base-Backbone interact. energy: -0.057
local terms energy: -43.029226
where:
bonds (distance) C4'-P energy: -11.119
bonds (distance) P-C4' energy: -12.370
flat angles C4'-P-C4' energy: -14.928
flat angles P-C4'-P energy: -6.259
tors. eta vs tors. theta energy: 1.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -67.024085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.024085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.024085 (E_RNA)
where:
Base-Base interactions energy: -24.035
where: short stacking energy: -24.035
Base-Backbone interact. energy: -0.038
local terms energy: -42.951479
where:
bonds (distance) C4'-P energy: -12.635
bonds (distance) P-C4' energy: -11.256
flat angles C4'-P-C4' energy: -5.764
flat angles P-C4'-P energy: -9.503
tors. eta vs tors. theta energy: -3.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -68.585008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.585008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.585008 (E_RNA)
where:
Base-Base interactions energy: -25.098
where: short stacking energy: -17.462
Base-Backbone interact. energy: -0.188
local terms energy: -43.299326
where:
bonds (distance) C4'-P energy: -12.812
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -9.948
flat angles P-C4'-P energy: -8.196
tors. eta vs tors. theta energy: 2.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -58.403008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.403008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.403008 (E_RNA)
where:
Base-Base interactions energy: -9.650
where: short stacking energy: -9.650
Base-Backbone interact. energy: 0.234
local terms energy: -48.986914
where:
bonds (distance) C4'-P energy: -13.984
bonds (distance) P-C4' energy: -12.195
flat angles C4'-P-C4' energy: -13.572
flat angles P-C4'-P energy: -10.766
tors. eta vs tors. theta energy: 1.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -63.017746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.017746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.017746 (E_RNA)
where:
Base-Base interactions energy: -25.265
where: short stacking energy: -17.735
Base-Backbone interact. energy: -0.009
local terms energy: -37.744326
where:
bonds (distance) C4'-P energy: -10.175
bonds (distance) P-C4' energy: -12.870
flat angles C4'-P-C4' energy: -2.388
flat angles P-C4'-P energy: -6.054
tors. eta vs tors. theta energy: -6.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -180.646231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.646231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.646231 (E_RNA)
where:
Base-Base interactions energy: -119.254
where: short stacking energy: -52.183
Base-Backbone interact. energy: -1.005
local terms energy: -60.387362
where:
bonds (distance) C4'-P energy: -11.240
bonds (distance) P-C4' energy: -6.960
flat angles C4'-P-C4' energy: -15.184
flat angles P-C4'-P energy: -11.155
tors. eta vs tors. theta energy: -15.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -183.068143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.068143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.068143 (E_RNA)
where:
Base-Base interactions energy: -117.558
where: short stacking energy: -50.415
Base-Backbone interact. energy: -0.036
local terms energy: -65.473310
where:
bonds (distance) C4'-P energy: -10.435
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -14.179
flat angles P-C4'-P energy: -9.209
tors. eta vs tors. theta energy: -17.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -173.560980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.560980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.560980 (E_RNA)
where:
Base-Base interactions energy: -114.812
where: short stacking energy: -45.668
Base-Backbone interact. energy: -0.145
local terms energy: -58.604510
where:
bonds (distance) C4'-P energy: -11.308
bonds (distance) P-C4' energy: -12.125
flat angles C4'-P-C4' energy: -13.768
flat angles P-C4'-P energy: -5.968
tors. eta vs tors. theta energy: -15.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -98.678770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.678770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.678770 (E_RNA)
where:
Base-Base interactions energy: -63.284
where: short stacking energy: -30.623
Base-Backbone interact. energy: -0.063
local terms energy: -35.330875
where:
bonds (distance) C4'-P energy: -8.536
bonds (distance) P-C4' energy: -7.908
flat angles C4'-P-C4' energy: -8.952
flat angles P-C4'-P energy: -2.583
tors. eta vs tors. theta energy: -7.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -82.735359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.735359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.735359 (E_RNA)
where:
Base-Base interactions energy: -36.891
where: short stacking energy: -27.234
Base-Backbone interact. energy: -0.931
local terms energy: -44.913273
where:
bonds (distance) C4'-P energy: -12.278
bonds (distance) P-C4' energy: -9.858
flat angles C4'-P-C4' energy: -8.092
flat angles P-C4'-P energy: -9.586
tors. eta vs tors. theta energy: -5.100
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: 10
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -77.097122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.097122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.097122 (E_RNA)
where:
Base-Base interactions energy: -24.597
where: short stacking energy: -17.024
Base-Backbone interact. energy: -0.228
local terms energy: -52.272647
where:
bonds (distance) C4'-P energy: -12.581
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -12.501
flat angles P-C4'-P energy: -10.210
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: 7, replica: 9
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -89.857165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.857165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.857165 (E_RNA)
where:
Base-Base interactions energy: -53.203
where: short stacking energy: -25.870
Base-Backbone interact. energy: -0.066
local terms energy: -36.588489
where:
bonds (distance) C4'-P energy: -7.426
bonds (distance) P-C4' energy: -8.636
flat angles C4'-P-C4' energy: -9.507
flat angles P-C4'-P energy: -8.557
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: 8, replica: 8
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -60.328878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.328878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.328878 (E_RNA)
where:
Base-Base interactions energy: -20.639
where: short stacking energy: -14.271
Base-Backbone interact. energy: 2.017
local terms energy: -41.707345
where:
bonds (distance) C4'-P energy: -11.777
bonds (distance) P-C4' energy: -13.215
flat angles C4'-P-C4' energy: -8.513
flat angles P-C4'-P energy: -8.857
tors. eta vs tors. theta energy: 0.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -67.616516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.616516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.616516 (E_RNA)
where:
Base-Base interactions energy: -28.491
where: short stacking energy: -9.962
Base-Backbone interact. energy: -0.231
local terms energy: -38.894910
where:
bonds (distance) C4'-P energy: -9.189
bonds (distance) P-C4' energy: -12.528
flat angles C4'-P-C4' energy: -9.137
flat angles P-C4'-P energy: -7.847
tors. eta vs tors. theta energy: -0.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -60.705378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.705378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.705378 (E_RNA)
where:
Base-Base interactions energy: -31.361
where: short stacking energy: -7.655
Base-Backbone interact. energy: -0.274
local terms energy: -29.070402
where:
bonds (distance) C4'-P energy: -13.176
bonds (distance) P-C4' energy: -6.427
flat angles C4'-P-C4' energy: -4.234
flat angles P-C4'-P energy: -5.912
tors. eta vs tors. theta energy: 0.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -181.686423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.686423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.686423 (E_RNA)
where:
Base-Base interactions energy: -115.170
where: short stacking energy: -51.613
Base-Backbone interact. energy: -0.008
local terms energy: -66.507906
where:
bonds (distance) C4'-P energy: -13.764
bonds (distance) P-C4' energy: -13.454
flat angles C4'-P-C4' energy: -14.429
flat angles P-C4'-P energy: -7.191
tors. eta vs tors. theta energy: -17.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -180.567636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.567636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.567636 (E_RNA)
where:
Base-Base interactions energy: -113.396
where: short stacking energy: -44.358
Base-Backbone interact. energy: -0.408
local terms energy: -66.764253
where:
bonds (distance) C4'-P energy: -11.735
bonds (distance) P-C4' energy: -14.825
flat angles C4'-P-C4' energy: -13.696
flat angles P-C4'-P energy: -9.194
tors. eta vs tors. theta energy: -17.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -173.332469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.332469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.332469 (E_RNA)
where:
Base-Base interactions energy: -115.872
where: short stacking energy: -45.604
Base-Backbone interact. energy: -0.059
local terms energy: -57.401602
where:
bonds (distance) C4'-P energy: -11.304
bonds (distance) P-C4' energy: -9.350
flat angles C4'-P-C4' energy: -11.582
flat angles P-C4'-P energy: -9.037
tors. eta vs tors. theta energy: -16.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -86.410967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.410967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.410967 (E_RNA)
where:
Base-Base interactions energy: -36.301
where: short stacking energy: -23.169
Base-Backbone interact. energy: -2.188
local terms energy: -47.921772
where:
bonds (distance) C4'-P energy: -8.863
bonds (distance) P-C4' energy: -13.989
flat angles C4'-P-C4' energy: -13.444
flat angles P-C4'-P energy: -7.819
tors. eta vs tors. theta energy: -3.808
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: 5, replica: 1
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -105.244698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.244698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.244698 (E_RNA)
where:
Base-Base interactions energy: -55.781
where: short stacking energy: -29.328
Base-Backbone interact. energy: -0.101
local terms energy: -49.362288
where:
bonds (distance) C4'-P energy: -11.600
bonds (distance) P-C4' energy: -14.124
flat angles C4'-P-C4' energy: -6.725
flat angles P-C4'-P energy: -8.494
tors. eta vs tors. theta energy: -8.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -97.768641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.768641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.768641 (E_RNA)
where:
Base-Base interactions energy: -41.343
where: short stacking energy: -16.842
Base-Backbone interact. energy: -1.046
local terms energy: -55.379062
where:
bonds (distance) C4'-P energy: -11.818
bonds (distance) P-C4' energy: -12.015
flat angles C4'-P-C4' energy: -13.092
flat angles P-C4'-P energy: -12.138
tors. eta vs tors. theta energy: -6.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -64.579300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.579300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.579300 (E_RNA)
where:
Base-Base interactions energy: -23.235
where: short stacking energy: -12.499
Base-Backbone interact. energy: -0.370
local terms energy: -40.974777
where:
bonds (distance) C4'-P energy: -11.185
bonds (distance) P-C4' energy: -12.834
flat angles C4'-P-C4' energy: -9.785
flat angles P-C4'-P energy: -6.934
tors. eta vs tors. theta energy: -0.237
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: 8, replica: 5
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -61.871527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.871527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.871527 (E_RNA)
where:
Base-Base interactions energy: -24.002
where: short stacking energy: -22.170
Base-Backbone interact. energy: -0.131
local terms energy: -37.738704
where:
bonds (distance) C4'-P energy: -12.451
bonds (distance) P-C4' energy: -7.344
flat angles C4'-P-C4' energy: -7.943
flat angles P-C4'-P energy: -5.854
tors. eta vs tors. theta energy: -4.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -60.284806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.284806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.284806 (E_RNA)
where:
Base-Base interactions energy: -27.726
where: short stacking energy: -16.172
Base-Backbone interact. energy: -0.082
local terms energy: -32.476496
where:
bonds (distance) C4'-P energy: -11.156
bonds (distance) P-C4' energy: -10.961
flat angles C4'-P-C4' energy: -6.701
flat angles P-C4'-P energy: -5.218
tors. eta vs tors. theta energy: 1.560
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: 4
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -58.720329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.720329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.720329 (E_RNA)
where:
Base-Base interactions energy: -20.466
where: short stacking energy: -8.762
Base-Backbone interact. energy: -0.124
local terms energy: -38.130126
where:
bonds (distance) C4'-P energy: -10.675
bonds (distance) P-C4' energy: -6.785
flat angles C4'-P-C4' energy: -11.487
flat angles P-C4'-P energy: -11.766
tors. eta vs tors. theta energy: 2.583
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: 220
Temperature: 0.900000
Total energy: -183.031984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.031984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.031984 (E_RNA)
where:
Base-Base interactions energy: -118.148
where: short stacking energy: -47.712
Base-Backbone interact. energy: -0.007
local terms energy: -64.876892
where:
bonds (distance) C4'-P energy: -12.742
bonds (distance) P-C4' energy: -11.799
flat angles C4'-P-C4' energy: -13.072
flat angles P-C4'-P energy: -8.674
tors. eta vs tors. theta energy: -18.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -182.796194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.796194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.796194 (E_RNA)
where:
Base-Base interactions energy: -122.312
where: short stacking energy: -46.100
Base-Backbone interact. energy: -0.595
local terms energy: -59.889276
where:
bonds (distance) C4'-P energy: -11.409
bonds (distance) P-C4' energy: -11.414
flat angles C4'-P-C4' energy: -11.622
flat angles P-C4'-P energy: -8.597
tors. eta vs tors. theta energy: -16.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -178.765523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.765523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.765523 (E_RNA)
where:
Base-Base interactions energy: -116.172
where: short stacking energy: -43.580
Base-Backbone interact. energy: -0.041
local terms energy: -62.552656
where:
bonds (distance) C4'-P energy: -13.176
bonds (distance) P-C4' energy: -13.046
flat angles C4'-P-C4' energy: -12.159
flat angles P-C4'-P energy: -7.089
tors. eta vs tors. theta energy: -17.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -83.260682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.260682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.260682 (E_RNA)
where:
Base-Base interactions energy: -34.584
where: short stacking energy: -13.484
Base-Backbone interact. energy: 0.106
local terms energy: -48.783451
where:
bonds (distance) C4'-P energy: -12.174
bonds (distance) P-C4' energy: -13.901
flat angles C4'-P-C4' energy: -14.581
flat angles P-C4'-P energy: -9.191
tors. eta vs tors. theta energy: 1.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -90.553149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.553149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.553149 (E_RNA)
where:
Base-Base interactions energy: -43.771
where: short stacking energy: -22.664
Base-Backbone interact. energy: -0.349
local terms energy: -46.432985
where:
bonds (distance) C4'-P energy: -11.889
bonds (distance) P-C4' energy: -12.284
flat angles C4'-P-C4' energy: -13.631
flat angles P-C4'-P energy: -1.431
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: 9
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -91.566722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.566722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.566722 (E_RNA)
where:
Base-Base interactions energy: -47.180
where: short stacking energy: -23.427
Base-Backbone interact. energy: -0.514
local terms energy: -43.872849
where:
bonds (distance) C4'-P energy: -9.730
bonds (distance) P-C4' energy: -15.119
flat angles C4'-P-C4' energy: -12.269
flat angles P-C4'-P energy: -2.240
tors. eta vs tors. theta energy: -4.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -62.562987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.562987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.562987 (E_RNA)
where:
Base-Base interactions energy: -24.564
where: short stacking energy: -16.528
Base-Backbone interact. energy: -0.070
local terms energy: -37.928616
where:
bonds (distance) C4'-P energy: -9.918
bonds (distance) P-C4' energy: -7.393
flat angles C4'-P-C4' energy: -7.124
flat angles P-C4'-P energy: -10.119
tors. eta vs tors. theta energy: -3.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -57.843265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.843265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.843265 (E_RNA)
where:
Base-Base interactions energy: -22.451
where: short stacking energy: -16.726
Base-Backbone interact. energy: -0.059
local terms energy: -35.333758
where:
bonds (distance) C4'-P energy: -5.966
bonds (distance) P-C4' energy: -11.327
flat angles C4'-P-C4' energy: -9.909
flat angles P-C4'-P energy: -9.861
tors. eta vs tors. theta energy: 1.729
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: 9, replica: 4
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -61.093578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.093578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.093578 (E_RNA)
where:
Base-Base interactions energy: -12.581
where: short stacking energy: -12.581
Base-Backbone interact. energy: -0.349
local terms energy: -48.164268
where:
bonds (distance) C4'-P energy: -9.546
bonds (distance) P-C4' energy: -14.093
flat angles C4'-P-C4' energy: -12.863
flat angles P-C4'-P energy: -9.672
tors. eta vs tors. theta energy: -1.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -58.821227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.821227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.821227 (E_RNA)
where:
Base-Base interactions energy: -23.477
where: short stacking energy: -5.971
Base-Backbone interact. energy: -0.215
local terms energy: -35.129846
where:
bonds (distance) C4'-P energy: -12.891
bonds (distance) P-C4' energy: -7.274
flat angles C4'-P-C4' energy: -10.288
flat angles P-C4'-P energy: -7.964
tors. eta vs tors. theta energy: 3.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -185.896377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.896377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.896377 (E_RNA)
where:
Base-Base interactions energy: -120.339
where: short stacking energy: -49.683
Base-Backbone interact. energy: -0.005
local terms energy: -65.552420
where:
bonds (distance) C4'-P energy: -11.214
bonds (distance) P-C4' energy: -13.920
flat angles C4'-P-C4' energy: -13.668
flat angles P-C4'-P energy: -8.311
tors. eta vs tors. theta energy: -18.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -181.046125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.046125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.046125 (E_RNA)
where:
Base-Base interactions energy: -114.579
where: short stacking energy: -46.157
Base-Backbone interact. energy: -0.010
local terms energy: -66.457598
where:
bonds (distance) C4'-P energy: -13.375
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -12.803
flat angles P-C4'-P energy: -10.188
tors. eta vs tors. theta energy: -16.350
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: 3
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -176.582135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.582135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.582135 (E_RNA)
where:
Base-Base interactions energy: -117.588
where: short stacking energy: -47.660
Base-Backbone interact. energy: -0.011
local terms energy: -58.983029
where:
bonds (distance) C4'-P energy: -12.137
bonds (distance) P-C4' energy: -13.357
flat angles C4'-P-C4' energy: -10.876
flat angles P-C4'-P energy: -7.237
tors. eta vs tors. theta energy: -15.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -137.687621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.687621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.687621 (E_RNA)
where:
Base-Base interactions energy: -84.015
where: short stacking energy: -30.566
Base-Backbone interact. energy: -0.605
local terms energy: -53.067698
where:
bonds (distance) C4'-P energy: -11.712
bonds (distance) P-C4' energy: -13.426
flat angles C4'-P-C4' energy: -9.865
flat angles P-C4'-P energy: -8.540
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: 5, replica: 2
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -74.269533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.269533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.269533 (E_RNA)
where:
Base-Base interactions energy: -26.843
where: short stacking energy: -26.843
Base-Backbone interact. energy: -0.068
local terms energy: -47.358827
where:
bonds (distance) C4'-P energy: -10.614
bonds (distance) P-C4' energy: -12.814
flat angles C4'-P-C4' energy: -11.388
flat angles P-C4'-P energy: -6.312
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: 6, replica: 9
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -76.943691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.943691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.943691 (E_RNA)
where:
Base-Base interactions energy: -36.580
where: short stacking energy: -17.776
Base-Backbone interact. energy: -0.167
local terms energy: -40.196252
where:
bonds (distance) C4'-P energy: -9.777
bonds (distance) P-C4' energy: -11.255
flat angles C4'-P-C4' energy: -9.772
flat angles P-C4'-P energy: -7.909
tors. eta vs tors. theta energy: -1.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -80.994143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.994143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.994143 (E_RNA)
where:
Base-Base interactions energy: -36.871
where: short stacking energy: -25.387
Base-Backbone interact. energy: -0.351
local terms energy: -43.772563
where:
bonds (distance) C4'-P energy: -12.475
bonds (distance) P-C4' energy: -9.289
flat angles C4'-P-C4' energy: -13.842
flat angles P-C4'-P energy: -3.775
tors. eta vs tors. theta energy: -4.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -62.157535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.157535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.157535 (E_RNA)
where:
Base-Base interactions energy: -28.343
where: short stacking energy: -18.149
Base-Backbone interact. energy: -0.304
local terms energy: -33.510290
where:
bonds (distance) C4'-P energy: -11.881
bonds (distance) P-C4' energy: -10.416
flat angles C4'-P-C4' energy: -8.854
flat angles P-C4'-P energy: -3.309
tors. eta vs tors. theta energy: 0.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -62.597869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.597869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.597869 (E_RNA)
where:
Base-Base interactions energy: -24.714
where: short stacking energy: -24.636
Base-Backbone interact. energy: -0.080
local terms energy: -37.803338
where:
bonds (distance) C4'-P energy: -10.601
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -7.306
flat angles P-C4'-P energy: -6.554
tors. eta vs tors. theta energy: -0.017
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: 8
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -59.506145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.506145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.506145 (E_RNA)
where:
Base-Base interactions energy: -30.744
where: short stacking energy: -16.366
Base-Backbone interact. energy: 0.767
local terms energy: -29.529804
where:
bonds (distance) C4'-P energy: -6.888
bonds (distance) P-C4' energy: -11.356
flat angles C4'-P-C4' energy: -4.448
flat angles P-C4'-P energy: -5.281
tors. eta vs tors. theta energy: -1.557
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: 7
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -190.827823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.827823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.827823 (E_RNA)
where:
Base-Base interactions energy: -125.433
where: short stacking energy: -53.688
Base-Backbone interact. energy: -0.029
local terms energy: -65.365801
where:
bonds (distance) C4'-P energy: -12.062
bonds (distance) P-C4' energy: -11.650
flat angles C4'-P-C4' energy: -13.729
flat angles P-C4'-P energy: -10.226
tors. eta vs tors. theta energy: -17.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -174.701256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.701256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.701256 (E_RNA)
where:
Base-Base interactions energy: -116.013
where: short stacking energy: -51.137
Base-Backbone interact. energy: -0.014
local terms energy: -58.673675
where:
bonds (distance) C4'-P energy: -8.414
bonds (distance) P-C4' energy: -11.803
flat angles C4'-P-C4' energy: -13.264
flat angles P-C4'-P energy: -9.202
tors. eta vs tors. theta energy: -15.990
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: 3, replica: 3
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -179.326255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.326255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.326255 (E_RNA)
where:
Base-Base interactions energy: -113.531
where: short stacking energy: -45.866
Base-Backbone interact. energy: -0.713
local terms energy: -65.081990
where:
bonds (distance) C4'-P energy: -13.690
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -14.288
flat angles P-C4'-P energy: -8.888
tors. eta vs tors. theta energy: -13.316
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: 4, replica: 1
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -155.655074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.655074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.655074 (E_RNA)
where:
Base-Base interactions energy: -94.999
where: short stacking energy: -34.538
Base-Backbone interact. energy: -0.056
local terms energy: -60.600254
where:
bonds (distance) C4'-P energy: -13.073
bonds (distance) P-C4' energy: -13.203
flat angles C4'-P-C4' energy: -11.926
flat angles P-C4'-P energy: -10.472
tors. eta vs tors. theta energy: -11.927
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: 9
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -108.239491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.239491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.239491 (E_RNA)
where:
Base-Base interactions energy: -60.599
where: short stacking energy: -26.956
Base-Backbone interact. energy: -0.188
local terms energy: -47.452030
where:
bonds (distance) C4'-P energy: -9.454
bonds (distance) P-C4' energy: -12.892
flat angles C4'-P-C4' energy: -9.035
flat angles P-C4'-P energy: -6.818
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: 6, replica: 2
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -83.348978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.348978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.348978 (E_RNA)
where:
Base-Base interactions energy: -44.155
where: short stacking energy: -27.354
Base-Backbone interact. energy: 3.385
local terms energy: -42.578205
where:
bonds (distance) C4'-P energy: -10.850
bonds (distance) P-C4' energy: -11.036
flat angles C4'-P-C4' energy: -12.484
flat angles P-C4'-P energy: -5.544
tors. eta vs tors. theta energy: -2.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -67.637133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.637133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.637133 (E_RNA)
where:
Base-Base interactions energy: -24.695
where: short stacking energy: -21.878
Base-Backbone interact. energy: -0.342
local terms energy: -42.600014
where:
bonds (distance) C4'-P energy: -8.171
bonds (distance) P-C4' energy: -9.937
flat angles C4'-P-C4' energy: -13.973
flat angles P-C4'-P energy: -6.203
tors. eta vs tors. theta energy: -4.317
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: 5
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -62.079515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.079515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.079515 (E_RNA)
where:
Base-Base interactions energy: -21.618
where: short stacking energy: -14.046
Base-Backbone interact. energy: 0.377
local terms energy: -40.838280
where:
bonds (distance) C4'-P energy: -12.643
bonds (distance) P-C4' energy: -12.877
flat angles C4'-P-C4' energy: -10.958
flat angles P-C4'-P energy: -5.867
tors. eta vs tors. theta energy: 1.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -63.612136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.612136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.612136 (E_RNA)
where:
Base-Base interactions energy: -21.406
where: short stacking energy: -16.144
Base-Backbone interact. energy: -0.190
local terms energy: -42.016362
where:
bonds (distance) C4'-P energy: -8.337
bonds (distance) P-C4' energy: -13.408
flat angles C4'-P-C4' energy: -11.923
flat angles P-C4'-P energy: -7.402
tors. eta vs tors. theta energy: -0.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -58.324096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.324096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.324096 (E_RNA)
where:
Base-Base interactions energy: -15.877
where: short stacking energy: -12.122
Base-Backbone interact. energy: -0.062
local terms energy: -42.384250
where:
bonds (distance) C4'-P energy: -10.716
bonds (distance) P-C4' energy: -13.082
flat angles C4'-P-C4' energy: -9.363
flat angles P-C4'-P energy: -4.537
tors. eta vs tors. theta energy: -4.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -184.337801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.337801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.337801 (E_RNA)
where:
Base-Base interactions energy: -120.583
where: short stacking energy: -51.407
Base-Backbone interact. energy: -0.019
local terms energy: -63.735935
where:
bonds (distance) C4'-P energy: -12.956
bonds (distance) P-C4' energy: -11.521
flat angles C4'-P-C4' energy: -10.372
flat angles P-C4'-P energy: -10.853
tors. eta vs tors. theta energy: -18.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -176.120544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.120544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.120544 (E_RNA)
where:
Base-Base interactions energy: -111.575
where: short stacking energy: -48.441
Base-Backbone interact. energy: 0.048
local terms energy: -64.593664
where:
bonds (distance) C4'-P energy: -10.726
bonds (distance) P-C4' energy: -12.106
flat angles C4'-P-C4' energy: -15.027
flat angles P-C4'-P energy: -10.275
tors. eta vs tors. theta energy: -16.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -170.458158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.458158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.458158 (E_RNA)
where:
Base-Base interactions energy: -115.379
where: short stacking energy: -45.305
Base-Backbone interact. energy: -0.074
local terms energy: -55.005417
where:
bonds (distance) C4'-P energy: -11.463
bonds (distance) P-C4' energy: -6.651
flat angles C4'-P-C4' energy: -13.073
flat angles P-C4'-P energy: -6.835
tors. eta vs tors. theta energy: -16.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -154.380656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.380656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.380656 (E_RNA)
where:
Base-Base interactions energy: -98.118
where: short stacking energy: -39.894
Base-Backbone interact. energy: -0.062
local terms energy: -56.201268
where:
bonds (distance) C4'-P energy: -12.486
bonds (distance) P-C4' energy: -12.133
flat angles C4'-P-C4' energy: -10.677
flat angles P-C4'-P energy: -5.617
tors. eta vs tors. theta energy: -15.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -109.797910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.797910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.797910 (E_RNA)
where:
Base-Base interactions energy: -62.473
where: short stacking energy: -28.890
Base-Backbone interact. energy: -0.032
local terms energy: -47.292909
where:
bonds (distance) C4'-P energy: -9.546
bonds (distance) P-C4' energy: -13.018
flat angles C4'-P-C4' energy: -9.928
flat angles P-C4'-P energy: -4.547
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: 6, replica: 4
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -83.908798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.908798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.908798 (E_RNA)
where:
Base-Base interactions energy: -34.078
where: short stacking energy: -21.718
Base-Backbone interact. energy: -0.928
local terms energy: -48.903625
where:
bonds (distance) C4'-P energy: -10.576
bonds (distance) P-C4' energy: -11.743
flat angles C4'-P-C4' energy: -9.572
flat angles P-C4'-P energy: -9.747
tors. eta vs tors. theta energy: -7.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -70.072980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.072980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.072980 (E_RNA)
where:
Base-Base interactions energy: -25.183
where: short stacking energy: -16.145
Base-Backbone interact. energy: -0.047
local terms energy: -44.842456
where:
bonds (distance) C4'-P energy: -12.104
bonds (distance) P-C4' energy: -12.110
flat angles C4'-P-C4' energy: -14.239
flat angles P-C4'-P energy: -5.106
tors. eta vs tors. theta energy: -1.283
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: 8
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -62.462471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.462471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.462471 (E_RNA)
where:
Base-Base interactions energy: -15.033
where: short stacking energy: -13.899
Base-Backbone interact. energy: -0.097
local terms energy: -47.332799
where:
bonds (distance) C4'-P energy: -12.100
bonds (distance) P-C4' energy: -13.079
flat angles C4'-P-C4' energy: -12.043
flat angles P-C4'-P energy: -8.152
tors. eta vs tors. theta energy: -1.958
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: 5
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -58.097545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.097545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.097545 (E_RNA)
where:
Base-Base interactions energy: -18.440
where: short stacking energy: -15.261
Base-Backbone interact. energy: 0.252
local terms energy: -39.909397
where:
bonds (distance) C4'-P energy: -10.638
bonds (distance) P-C4' energy: -10.877
flat angles C4'-P-C4' energy: -12.572
flat angles P-C4'-P energy: -5.107
tors. eta vs tors. theta energy: -0.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -66.721766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.721766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.721766 (E_RNA)
where:
Base-Base interactions energy: -26.753
where: short stacking energy: -16.265
Base-Backbone interact. energy: -0.219
local terms energy: -39.750491
where:
bonds (distance) C4'-P energy: -8.143
bonds (distance) P-C4' energy: -11.414
flat angles C4'-P-C4' energy: -13.848
flat angles P-C4'-P energy: -5.709
tors. eta vs tors. theta energy: -0.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -175.969467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.969467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.969467 (E_RNA)
where:
Base-Base interactions energy: -112.046
where: short stacking energy: -44.004
Base-Backbone interact. energy: -0.014
local terms energy: -63.909337
where:
bonds (distance) C4'-P energy: -9.590
bonds (distance) P-C4' energy: -14.035
flat angles C4'-P-C4' energy: -11.952
flat angles P-C4'-P energy: -10.407
tors. eta vs tors. theta energy: -17.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -179.977260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.977260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.977260 (E_RNA)
where:
Base-Base interactions energy: -118.114
where: short stacking energy: -47.983
Base-Backbone interact. energy: -0.077
local terms energy: -61.786523
where:
bonds (distance) C4'-P energy: -13.176
bonds (distance) P-C4' energy: -13.050
flat angles C4'-P-C4' energy: -11.587
flat angles P-C4'-P energy: -7.750
tors. eta vs tors. theta energy: -16.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -167.006665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.006665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.006665 (E_RNA)
where:
Base-Base interactions energy: -112.887
where: short stacking energy: -41.732
Base-Backbone interact. energy: -0.005
local terms energy: -54.114993
where:
bonds (distance) C4'-P energy: -7.516
bonds (distance) P-C4' energy: -12.171
flat angles C4'-P-C4' energy: -11.683
flat angles P-C4'-P energy: -9.998
tors. eta vs tors. theta energy: -12.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -166.462556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.462556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.462556 (E_RNA)
where:
Base-Base interactions energy: -112.541
where: short stacking energy: -35.041
Base-Backbone interact. energy: -0.094
local terms energy: -53.827420
where:
bonds (distance) C4'-P energy: -12.314
bonds (distance) P-C4' energy: -12.852
flat angles C4'-P-C4' energy: -10.325
flat angles P-C4'-P energy: -7.247
tors. eta vs tors. theta energy: -11.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -70.005309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.005309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.005309 (E_RNA)
where:
Base-Base interactions energy: -28.540
where: short stacking energy: -22.741
Base-Backbone interact. energy: -0.024
local terms energy: -41.440817
where:
bonds (distance) C4'-P energy: -10.763
bonds (distance) P-C4' energy: -7.192
flat angles C4'-P-C4' energy: -7.410
flat angles P-C4'-P energy: -9.461
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: 6, replica: 9
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -71.734512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.734512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.734512 (E_RNA)
where:
Base-Base interactions energy: -38.443
where: short stacking energy: -19.916
Base-Backbone interact. energy: -0.184
local terms energy: -33.107880
where:
bonds (distance) C4'-P energy: -11.898
bonds (distance) P-C4' energy: -13.830
flat angles C4'-P-C4' energy: -10.295
flat angles P-C4'-P energy: 0.221
tors. eta vs tors. theta energy: 2.693
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: 8
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -66.820860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.820860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.820860 (E_RNA)
where:
Base-Base interactions energy: -19.941
where: short stacking energy: -19.941
Base-Backbone interact. energy: -0.186
local terms energy: -46.693507
where:
bonds (distance) C4'-P energy: -11.525
bonds (distance) P-C4' energy: -13.050
flat angles C4'-P-C4' energy: -12.495
flat angles P-C4'-P energy: -9.293
tors. eta vs tors. theta energy: -0.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -68.538871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.538871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.538871 (E_RNA)
where:
Base-Base interactions energy: -33.742
where: short stacking energy: -9.426
Base-Backbone interact. energy: -0.330
local terms energy: -34.467362
where:
bonds (distance) C4'-P energy: -14.021
bonds (distance) P-C4' energy: -10.533
flat angles C4'-P-C4' energy: -2.573
flat angles P-C4'-P energy: -9.954
tors. eta vs tors. theta energy: 2.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -59.581552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.581552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.581552 (E_RNA)
where:
Base-Base interactions energy: -21.280
where: short stacking energy: -8.616
Base-Backbone interact. energy: -0.127
local terms energy: -38.174975
where:
bonds (distance) C4'-P energy: -11.143
bonds (distance) P-C4' energy: -11.117
flat angles C4'-P-C4' energy: -13.228
flat angles P-C4'-P energy: -5.264
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: 224
Temperature: 1.350000
Total energy: -61.752910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.752910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.752910 (E_RNA)
where:
Base-Base interactions energy: -15.412
where: short stacking energy: -13.052
Base-Backbone interact. energy: -0.007
local terms energy: -46.333793
where:
bonds (distance) C4'-P energy: -10.733
bonds (distance) P-C4' energy: -9.445
flat angles C4'-P-C4' energy: -12.536
flat angles P-C4'-P energy: -9.356
tors. eta vs tors. theta energy: -4.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -179.939624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.939624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.939624 (E_RNA)
where:
Base-Base interactions energy: -117.615
where: short stacking energy: -45.800
Base-Backbone interact. energy: 1.151
local terms energy: -63.474966
where:
bonds (distance) C4'-P energy: -13.780
bonds (distance) P-C4' energy: -9.515
flat angles C4'-P-C4' energy: -14.454
flat angles P-C4'-P energy: -9.949
tors. eta vs tors. theta energy: -15.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -180.106694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.106694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.106694 (E_RNA)
where:
Base-Base interactions energy: -117.282
where: short stacking energy: -39.249
Base-Backbone interact. energy: -0.148
local terms energy: -62.675878
where:
bonds (distance) C4'-P energy: -11.365
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -14.192
flat angles P-C4'-P energy: -9.394
tors. eta vs tors. theta energy: -15.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -171.241647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.241647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.241647 (E_RNA)
where:
Base-Base interactions energy: -113.730
where: short stacking energy: -41.476
Base-Backbone interact. energy: -0.129
local terms energy: -57.382739
where:
bonds (distance) C4'-P energy: -12.510
bonds (distance) P-C4' energy: -11.790
flat angles C4'-P-C4' energy: -14.618
flat angles P-C4'-P energy: -4.524
tors. eta vs tors. theta energy: -13.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -88.214425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.214425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.214425 (E_RNA)
where:
Base-Base interactions energy: -43.746
where: short stacking energy: -20.237
Base-Backbone interact. energy: -0.207
local terms energy: -44.261607
where:
bonds (distance) C4'-P energy: -8.957
bonds (distance) P-C4' energy: -9.789
flat angles C4'-P-C4' energy: -12.313
flat angles P-C4'-P energy: -8.355
tors. eta vs tors. theta energy: -4.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -162.416151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.416151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.416151 (E_RNA)
where:
Base-Base interactions energy: -104.422
where: short stacking energy: -42.391
Base-Backbone interact. energy: -0.079
local terms energy: -57.916009
where:
bonds (distance) C4'-P energy: -10.361
bonds (distance) P-C4' energy: -11.006
flat angles C4'-P-C4' energy: -12.392
flat angles P-C4'-P energy: -9.337
tors. eta vs tors. theta energy: -14.820
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: 9
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -77.178412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.178412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.178412 (E_RNA)
where:
Base-Base interactions energy: -41.871
where: short stacking energy: -14.582
Base-Backbone interact. energy: 0.884
local terms energy: -36.191753
where:
bonds (distance) C4'-P energy: -12.236
bonds (distance) P-C4' energy: -12.621
flat angles C4'-P-C4' energy: -8.856
flat angles P-C4'-P energy: -0.051
tors. eta vs tors. theta energy: -2.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -74.028222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.028222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.028222 (E_RNA)
where:
Base-Base interactions energy: -34.591
where: short stacking energy: -22.869
Base-Backbone interact. energy: -0.723
local terms energy: -38.713785
where:
bonds (distance) C4'-P energy: -11.682
bonds (distance) P-C4' energy: -11.341
flat angles C4'-P-C4' energy: -10.736
flat angles P-C4'-P energy: -0.051
tors. eta vs tors. theta energy: -4.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -57.330139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.330139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.330139 (E_RNA)
where:
Base-Base interactions energy: -22.478
where: short stacking energy: -18.476
Base-Backbone interact. energy: -0.053
local terms energy: -34.798945
where:
bonds (distance) C4'-P energy: -8.035
bonds (distance) P-C4' energy: -14.639
flat angles C4'-P-C4' energy: -5.474
flat angles P-C4'-P energy: -5.706
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: 9, replica: 2
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -57.302182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.302182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.302182 (E_RNA)
where:
Base-Base interactions energy: -17.149
where: short stacking energy: -17.149
Base-Backbone interact. energy: -0.326
local terms energy: -39.827091
where:
bonds (distance) C4'-P energy: -12.671
bonds (distance) P-C4' energy: -11.638
flat angles C4'-P-C4' energy: -10.610
flat angles P-C4'-P energy: -6.290
tors. eta vs tors. theta energy: 1.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -57.452747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.452747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.452747 (E_RNA)
where:
Base-Base interactions energy: -17.527
where: short stacking energy: -13.850
Base-Backbone interact. energy: -0.221
local terms energy: -39.705586
where:
bonds (distance) C4'-P energy: -14.464
bonds (distance) P-C4' energy: -9.687
flat angles C4'-P-C4' energy: -7.622
flat angles P-C4'-P energy: -5.842
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: 7
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -177.655643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.655643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.655643 (E_RNA)
where:
Base-Base interactions energy: -115.166
where: short stacking energy: -43.840
Base-Backbone interact. energy: -0.098
local terms energy: -62.391792
where:
bonds (distance) C4'-P energy: -10.154
bonds (distance) P-C4' energy: -13.775
flat angles C4'-P-C4' energy: -13.818
flat angles P-C4'-P energy: -7.457
tors. eta vs tors. theta energy: -17.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -180.349318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.349318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.349318 (E_RNA)
where:
Base-Base interactions energy: -118.785
where: short stacking energy: -47.871
Base-Backbone interact. energy: 0.167
local terms energy: -61.731366
where:
bonds (distance) C4'-P energy: -14.617
bonds (distance) P-C4' energy: -9.841
flat angles C4'-P-C4' energy: -14.526
flat angles P-C4'-P energy: -5.802
tors. eta vs tors. theta energy: -16.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -176.550237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.550237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.550237 (E_RNA)
where:
Base-Base interactions energy: -114.482
where: short stacking energy: -45.045
Base-Backbone interact. energy: -0.005
local terms energy: -62.064032
where:
bonds (distance) C4'-P energy: -12.749
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -13.002
flat angles P-C4'-P energy: -6.174
tors. eta vs tors. theta energy: -15.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -92.834505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.834505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.834505 (E_RNA)
where:
Base-Base interactions energy: -47.273
where: short stacking energy: -26.298
Base-Backbone interact. energy: 0.630
local terms energy: -46.191297
where:
bonds (distance) C4'-P energy: -7.823
bonds (distance) P-C4' energy: -12.603
flat angles C4'-P-C4' energy: -13.512
flat angles P-C4'-P energy: -5.600
tors. eta vs tors. theta energy: -6.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -163.886157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.886157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.886157 (E_RNA)
where:
Base-Base interactions energy: -108.555
where: short stacking energy: -42.243
Base-Backbone interact. energy: -0.004
local terms energy: -55.327991
where:
bonds (distance) C4'-P energy: -7.661
bonds (distance) P-C4' energy: -13.092
flat angles C4'-P-C4' energy: -13.168
flat angles P-C4'-P energy: -7.656
tors. eta vs tors. theta energy: -13.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -96.232545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.232545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.232545 (E_RNA)
where:
Base-Base interactions energy: -56.346
where: short stacking energy: -21.869
Base-Backbone interact. energy: -0.082
local terms energy: -39.804147
where:
bonds (distance) C4'-P energy: -11.529
bonds (distance) P-C4' energy: -12.438
flat angles C4'-P-C4' energy: -6.812
flat angles P-C4'-P energy: -8.619
tors. eta vs tors. theta energy: -0.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -74.053234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.053234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.053234 (E_RNA)
where:
Base-Base interactions energy: -31.120
where: short stacking energy: -17.612
Base-Backbone interact. energy: -0.021
local terms energy: -42.911750
where:
bonds (distance) C4'-P energy: -11.446
bonds (distance) P-C4' energy: -14.858
flat angles C4'-P-C4' energy: -10.438
flat angles P-C4'-P energy: -2.263
tors. eta vs tors. theta energy: -3.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -82.647478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.647478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.647478 (E_RNA)
where:
Base-Base interactions energy: -42.700
where: short stacking energy: -21.912
Base-Backbone interact. energy: -0.129
local terms energy: -39.818963
where:
bonds (distance) C4'-P energy: -9.521
bonds (distance) P-C4' energy: -11.531
flat angles C4'-P-C4' energy: -9.772
flat angles P-C4'-P energy: -3.063
tors. eta vs tors. theta energy: -5.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -61.670344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.670344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.670344 (E_RNA)
where:
Base-Base interactions energy: -17.550
where: short stacking energy: -10.847
Base-Backbone interact. energy: -0.006
local terms energy: -44.114068
where:
bonds (distance) C4'-P energy: -10.833
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -13.909
flat angles P-C4'-P energy: -3.276
tors. eta vs tors. theta energy: -1.508
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: 5
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -73.268915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.268915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.268915 (E_RNA)
where:
Base-Base interactions energy: -34.183
where: short stacking energy: -11.622
Base-Backbone interact. energy: -0.089
local terms energy: -38.997207
where:
bonds (distance) C4'-P energy: -10.502
bonds (distance) P-C4' energy: -13.544
flat angles C4'-P-C4' energy: -7.806
flat angles P-C4'-P energy: -7.311
tors. eta vs tors. theta energy: 0.166
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: 7
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -181.602882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.602882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.602882 (E_RNA)
where:
Base-Base interactions energy: -118.450
where: short stacking energy: -38.059
Base-Backbone interact. energy: -0.038
local terms energy: -63.115079
where:
bonds (distance) C4'-P energy: -12.067
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -14.462
flat angles P-C4'-P energy: -10.570
tors. eta vs tors. theta energy: -12.520
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: 3
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -178.928596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.928596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.928596 (E_RNA)
where:
Base-Base interactions energy: -120.802
where: short stacking energy: -49.701
Base-Backbone interact. energy: -0.003
local terms energy: -58.123663
where:
bonds (distance) C4'-P energy: -9.769
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -12.126
flat angles P-C4'-P energy: -6.106
tors. eta vs tors. theta energy: -16.379
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: 227
Temperature: 1.000000
Total energy: -174.270316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.270316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.270316 (E_RNA)
where:
Base-Base interactions energy: -112.433
where: short stacking energy: -44.101
Base-Backbone interact. energy: 0.554
local terms energy: -62.391094
where:
bonds (distance) C4'-P energy: -12.973
bonds (distance) P-C4' energy: -15.118
flat angles C4'-P-C4' energy: -9.650
flat angles P-C4'-P energy: -5.833
tors. eta vs tors. theta energy: -18.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -122.429207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.429207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.429207 (E_RNA)
where:
Base-Base interactions energy: -73.626
where: short stacking energy: -30.203
Base-Backbone interact. energy: -0.170
local terms energy: -48.632586
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -10.688
flat angles C4'-P-C4' energy: -11.474
flat angles P-C4'-P energy: -4.633
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: 5, replica: 4
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -83.955438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.955438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.955438 (E_RNA)
where:
Base-Base interactions energy: -35.723
where: short stacking energy: -20.613
Base-Backbone interact. energy: -0.169
local terms energy: -48.062979
where:
bonds (distance) C4'-P energy: -11.321
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -12.261
flat angles P-C4'-P energy: -5.113
tors. eta vs tors. theta energy: -4.765
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: 6, replica: 9
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -83.024533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.024533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.024533 (E_RNA)
where:
Base-Base interactions energy: -35.009
where: short stacking energy: -24.226
Base-Backbone interact. energy: 0.719
local terms energy: -48.734399
where:
bonds (distance) C4'-P energy: -11.810
bonds (distance) P-C4' energy: -8.877
flat angles C4'-P-C4' energy: -12.597
flat angles P-C4'-P energy: -7.527
tors. eta vs tors. theta energy: -7.923
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: 10
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -67.401558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.401558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.401558 (E_RNA)
where:
Base-Base interactions energy: -22.270
where: short stacking energy: -14.809
Base-Backbone interact. energy: -0.789
local terms energy: -44.342786
where:
bonds (distance) C4'-P energy: -13.077
bonds (distance) P-C4' energy: -11.558
flat angles C4'-P-C4' energy: -10.020
flat angles P-C4'-P energy: -9.379
tors. eta vs tors. theta energy: -0.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -58.984875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.984875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.984875 (E_RNA)
where:
Base-Base interactions energy: -19.535
where: short stacking energy: -13.376
Base-Backbone interact. energy: -0.019
local terms energy: -39.430295
where:
bonds (distance) C4'-P energy: -8.429
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -5.654
flat angles P-C4'-P energy: -8.691
tors. eta vs tors. theta energy: -2.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -63.683538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.683538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.683538 (E_RNA)
where:
Base-Base interactions energy: -18.290
where: short stacking energy: -8.682
Base-Backbone interact. energy: 0.249
local terms energy: -45.642996
where:
bonds (distance) C4'-P energy: -14.261
bonds (distance) P-C4' energy: -13.797
flat angles C4'-P-C4' energy: -11.007
flat angles P-C4'-P energy: -6.964
tors. eta vs tors. theta energy: 0.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -65.415516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.415516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.415516 (E_RNA)
where:
Base-Base interactions energy: -19.201
where: short stacking energy: -19.201
Base-Backbone interact. energy: -0.073
local terms energy: -46.141798
where:
bonds (distance) C4'-P energy: -11.860
bonds (distance) P-C4' energy: -9.227
flat angles C4'-P-C4' energy: -12.555
flat angles P-C4'-P energy: -6.695
tors. eta vs tors. theta energy: -5.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -175.651759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.651759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.651759 (E_RNA)
where:
Base-Base interactions energy: -117.681
where: short stacking energy: -43.006
Base-Backbone interact. energy: -0.087
local terms energy: -57.883533
where:
bonds (distance) C4'-P energy: -11.322
bonds (distance) P-C4' energy: -10.092
flat angles C4'-P-C4' energy: -12.273
flat angles P-C4'-P energy: -7.850
tors. eta vs tors. theta energy: -16.347
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: 2, replica: 7
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -183.628911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.628911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.628911 (E_RNA)
where:
Base-Base interactions energy: -117.796
where: short stacking energy: -39.557
Base-Backbone interact. energy: -0.544
local terms energy: -65.288673
where:
bonds (distance) C4'-P energy: -13.532
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -13.400
flat angles P-C4'-P energy: -8.309
tors. eta vs tors. theta energy: -15.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -172.769754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.769754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.769754 (E_RNA)
where:
Base-Base interactions energy: -111.295
where: short stacking energy: -41.597
Base-Backbone interact. energy: -0.065
local terms energy: -61.409105
where:
bonds (distance) C4'-P energy: -11.339
bonds (distance) P-C4' energy: -12.193
flat angles C4'-P-C4' energy: -12.707
flat angles P-C4'-P energy: -7.324
tors. eta vs tors. theta energy: -17.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -135.124685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.124685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.124685 (E_RNA)
where:
Base-Base interactions energy: -81.086
where: short stacking energy: -28.650
Base-Backbone interact. energy: -0.824
local terms energy: -53.214301
where:
bonds (distance) C4'-P energy: -9.525
bonds (distance) P-C4' energy: -11.912
flat angles C4'-P-C4' energy: -12.241
flat angles P-C4'-P energy: -9.532
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: 5, replica: 9
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -87.624169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.624169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.624169 (E_RNA)
where:
Base-Base interactions energy: -46.140
where: short stacking energy: -16.277
Base-Backbone interact. energy: -0.092
local terms energy: -41.391906
where:
bonds (distance) C4'-P energy: -10.327
bonds (distance) P-C4' energy: -10.253
flat angles C4'-P-C4' energy: -9.701
flat angles P-C4'-P energy: -6.650
tors. eta vs tors. theta energy: -4.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -67.565416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.565416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.565416 (E_RNA)
where:
Base-Base interactions energy: -22.022
where: short stacking energy: -13.168
Base-Backbone interact. energy: -0.077
local terms energy: -45.466619
where:
bonds (distance) C4'-P energy: -11.665
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -8.624
flat angles P-C4'-P energy: -11.307
tors. eta vs tors. theta energy: -0.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -65.406231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.406231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.406231 (E_RNA)
where:
Base-Base interactions energy: -24.431
where: short stacking energy: -6.808
Base-Backbone interact. energy: 0.184
local terms energy: -41.158965
where:
bonds (distance) C4'-P energy: -12.566
bonds (distance) P-C4' energy: -11.237
flat angles C4'-P-C4' energy: -10.636
flat angles P-C4'-P energy: -7.357
tors. eta vs tors. theta energy: 0.638
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: 8, replica: 10
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -64.017888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.017888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.017888 (E_RNA)
where:
Base-Base interactions energy: -23.808
where: short stacking energy: -14.543
Base-Backbone interact. energy: -0.274
local terms energy: -39.935221
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -7.548
flat angles C4'-P-C4' energy: -9.810
flat angles P-C4'-P energy: -8.663
tors. eta vs tors. theta energy: -1.239
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: 5
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -70.673366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.673366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.673366 (E_RNA)
where:
Base-Base interactions energy: -34.522
where: short stacking energy: -15.281
Base-Backbone interact. energy: -0.014
local terms energy: -36.137969
where:
bonds (distance) C4'-P energy: -6.643
bonds (distance) P-C4' energy: -12.007
flat angles C4'-P-C4' energy: -12.307
flat angles P-C4'-P energy: -3.507
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: 10, replica: 8
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -64.050190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.050190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.050190 (E_RNA)
where:
Base-Base interactions energy: -18.915
where: short stacking energy: -18.915
Base-Backbone interact. energy: -0.006
local terms energy: -45.128432
where:
bonds (distance) C4'-P energy: -11.799
bonds (distance) P-C4' energy: -11.332
flat angles C4'-P-C4' energy: -9.998
flat angles P-C4'-P energy: -7.371
tors. eta vs tors. theta energy: -4.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -170.531329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.531329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.531329 (E_RNA)
where:
Base-Base interactions energy: -120.858
where: short stacking energy: -36.197
Base-Backbone interact. energy: -0.368
local terms energy: -49.305606
where:
bonds (distance) C4'-P energy: -10.486
bonds (distance) P-C4' energy: -10.377
flat angles C4'-P-C4' energy: -13.097
flat angles P-C4'-P energy: -5.569
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: 1
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -170.813452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.813452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.813452 (E_RNA)
where:
Base-Base interactions energy: -111.512
where: short stacking energy: -44.057
Base-Backbone interact. energy: -0.010
local terms energy: -59.291126
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -12.698
flat angles C4'-P-C4' energy: -10.038
flat angles P-C4'-P energy: -9.258
tors. eta vs tors. theta energy: -12.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -177.888787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.888787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.888787 (E_RNA)
where:
Base-Base interactions energy: -128.759
where: short stacking energy: -45.661
Base-Backbone interact. energy: -0.051
local terms energy: -49.078762
where:
bonds (distance) C4'-P energy: -11.172
bonds (distance) P-C4' energy: -11.911
flat angles C4'-P-C4' energy: -12.481
flat angles P-C4'-P energy: -3.904
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: 4, replica: 6
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -168.323598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.323598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.323598 (E_RNA)
where:
Base-Base interactions energy: -104.043
where: short stacking energy: -39.701
Base-Backbone interact. energy: -0.004
local terms energy: -64.276369
where:
bonds (distance) C4'-P energy: -12.965
bonds (distance) P-C4' energy: -12.126
flat angles C4'-P-C4' energy: -13.325
flat angles P-C4'-P energy: -12.473
tors. eta vs tors. theta energy: -13.388
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: 9
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -83.921073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.921073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.921073 (E_RNA)
where:
Base-Base interactions energy: -37.941
where: short stacking energy: -22.375
Base-Backbone interact. energy: -0.662
local terms energy: -45.318402
where:
bonds (distance) C4'-P energy: -7.911
bonds (distance) P-C4' energy: -13.988
flat angles C4'-P-C4' energy: -11.637
flat angles P-C4'-P energy: -11.285
tors. eta vs tors. theta energy: -0.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -71.958567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.958567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.958567 (E_RNA)
where:
Base-Base interactions energy: -28.190
where: short stacking energy: -12.221
Base-Backbone interact. energy: -1.202
local terms energy: -42.566472
where:
bonds (distance) C4'-P energy: -12.904
bonds (distance) P-C4' energy: -12.791
flat angles C4'-P-C4' energy: -8.565
flat angles P-C4'-P energy: -5.766
tors. eta vs tors. theta energy: -2.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -64.002407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.002407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.002407 (E_RNA)
where:
Base-Base interactions energy: -16.710
where: short stacking energy: -15.505
Base-Backbone interact. energy: -0.061
local terms energy: -47.231719
where:
bonds (distance) C4'-P energy: -13.532
bonds (distance) P-C4' energy: -12.309
flat angles C4'-P-C4' energy: -10.859
flat angles P-C4'-P energy: -5.946
tors. eta vs tors. theta energy: -4.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -67.740735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.740735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.740735 (E_RNA)
where:
Base-Base interactions energy: -26.447
where: short stacking energy: -26.447
Base-Backbone interact. energy: -0.079
local terms energy: -41.215224
where:
bonds (distance) C4'-P energy: -10.345
bonds (distance) P-C4' energy: -11.140
flat angles C4'-P-C4' energy: -7.786
flat angles P-C4'-P energy: -7.064
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: 10
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -63.507662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.507662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.507662 (E_RNA)
where:
Base-Base interactions energy: -36.662
where: short stacking energy: -8.808
Base-Backbone interact. energy: -0.958
local terms energy: -25.887505
where:
bonds (distance) C4'-P energy: -11.106
bonds (distance) P-C4' energy: -10.812
flat angles C4'-P-C4' energy: -8.446
flat angles P-C4'-P energy: 0.023
tors. eta vs tors. theta energy: 4.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -57.320748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.320748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.320748 (E_RNA)
where:
Base-Base interactions energy: -15.836
where: short stacking energy: -7.675
Base-Backbone interact. energy: -0.085
local terms energy: -41.400543
where:
bonds (distance) C4'-P energy: -13.532
bonds (distance) P-C4' energy: -12.137
flat angles C4'-P-C4' energy: -12.164
flat angles P-C4'-P energy: -7.653
tors. eta vs tors. theta energy: 4.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -180.183239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.183239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.183239 (E_RNA)
where:
Base-Base interactions energy: -117.296
where: short stacking energy: -49.739
Base-Backbone interact. energy: -0.304
local terms energy: -62.582819
where:
bonds (distance) C4'-P energy: -11.988
bonds (distance) P-C4' energy: -11.858
flat angles C4'-P-C4' energy: -12.705
flat angles P-C4'-P energy: -9.570
tors. eta vs tors. theta energy: -16.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -167.842309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.842309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.842309 (E_RNA)
where:
Base-Base interactions energy: -101.747
where: short stacking energy: -35.638
Base-Backbone interact. energy: -0.419
local terms energy: -65.675929
where:
bonds (distance) C4'-P energy: -14.811
bonds (distance) P-C4' energy: -13.659
flat angles C4'-P-C4' energy: -14.882
flat angles P-C4'-P energy: -8.560
tors. eta vs tors. theta energy: -13.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -181.352522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.352522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.352522 (E_RNA)
where:
Base-Base interactions energy: -115.241
where: short stacking energy: -48.807
Base-Backbone interact. energy: -0.006
local terms energy: -66.105265
where:
bonds (distance) C4'-P energy: -11.251
bonds (distance) P-C4' energy: -13.610
flat angles C4'-P-C4' energy: -13.589
flat angles P-C4'-P energy: -9.844
tors. eta vs tors. theta energy: -17.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -159.945903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.945903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.945903 (E_RNA)
where:
Base-Base interactions energy: -105.233
where: short stacking energy: -39.212
Base-Backbone interact. energy: -0.123
local terms energy: -54.590078
where:
bonds (distance) C4'-P energy: -13.446
bonds (distance) P-C4' energy: -8.995
flat angles C4'-P-C4' energy: -10.230
flat angles P-C4'-P energy: -9.383
tors. eta vs tors. theta energy: -12.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -78.860785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.860785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.860785 (E_RNA)
where:
Base-Base interactions energy: -31.950
where: short stacking energy: -17.350
Base-Backbone interact. energy: -0.165
local terms energy: -46.745211
where:
bonds (distance) C4'-P energy: -9.561
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -8.251
flat angles P-C4'-P energy: -7.948
tors. eta vs tors. theta energy: -6.519
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: 4
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -68.102097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.102097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.102097 (E_RNA)
where:
Base-Base interactions energy: -24.037
where: short stacking energy: -16.196
Base-Backbone interact. energy: -0.033
local terms energy: -44.032097
where:
bonds (distance) C4'-P energy: -13.085
bonds (distance) P-C4' energy: -11.933
flat angles C4'-P-C4' energy: -12.908
flat angles P-C4'-P energy: -5.377
tors. eta vs tors. theta energy: -0.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -65.848971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.848971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.848971 (E_RNA)
where:
Base-Base interactions energy: -16.873
where: short stacking energy: -16.873
Base-Backbone interact. energy: -0.049
local terms energy: -48.927824
where:
bonds (distance) C4'-P energy: -13.835
bonds (distance) P-C4' energy: -10.042
flat angles C4'-P-C4' energy: -11.400
flat angles P-C4'-P energy: -9.273
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: 8, replica: 2
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -66.885794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.885794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.885794 (E_RNA)
where:
Base-Base interactions energy: -24.136
where: short stacking energy: -17.331
Base-Backbone interact. energy: 0.353
local terms energy: -43.103546
where:
bonds (distance) C4'-P energy: -12.555
bonds (distance) P-C4' energy: -10.179
flat angles C4'-P-C4' energy: -11.762
flat angles P-C4'-P energy: -8.269
tors. eta vs tors. theta energy: -0.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -66.490593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.490593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.490593 (E_RNA)
where:
Base-Base interactions energy: -17.959
where: short stacking energy: -5.991
Base-Backbone interact. energy: -0.260
local terms energy: -48.272029
where:
bonds (distance) C4'-P energy: -13.051
bonds (distance) P-C4' energy: -14.128
flat angles C4'-P-C4' energy: -12.240
flat angles P-C4'-P energy: -9.140
tors. eta vs tors. theta energy: 0.287
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: 8
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -53.548807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.548807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.548807 (E_RNA)
where:
Base-Base interactions energy: -16.353
where: short stacking energy: -16.353
Base-Backbone interact. energy: -0.135
local terms energy: -37.060624
where:
bonds (distance) C4'-P energy: -9.855
bonds (distance) P-C4' energy: -10.759
flat angles C4'-P-C4' energy: -11.000
flat angles P-C4'-P energy: -7.184
tors. eta vs tors. theta energy: 1.738
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: 1
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -179.022773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.022773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.022773 (E_RNA)
where:
Base-Base interactions energy: -115.211
where: short stacking energy: -44.705
Base-Backbone interact. energy: -0.037
local terms energy: -63.774651
where:
bonds (distance) C4'-P energy: -13.657
bonds (distance) P-C4' energy: -11.123
flat angles C4'-P-C4' energy: -12.309
flat angles P-C4'-P energy: -9.783
tors. eta vs tors. theta energy: -16.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -176.271656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.271656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.271656 (E_RNA)
where:
Base-Base interactions energy: -107.490
where: short stacking energy: -43.480
Base-Backbone interact. energy: -0.178
local terms energy: -68.604176
where:
bonds (distance) C4'-P energy: -14.464
bonds (distance) P-C4' energy: -13.312
flat angles C4'-P-C4' energy: -13.629
flat angles P-C4'-P energy: -9.166
tors. eta vs tors. theta energy: -18.033
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: 3, replica: 3
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -146.675136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.675136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.675136 (E_RNA)
where:
Base-Base interactions energy: -93.927
where: short stacking energy: -40.822
Base-Backbone interact. energy: -0.082
local terms energy: -52.666071
where:
bonds (distance) C4'-P energy: -12.150
bonds (distance) P-C4' energy: -10.972
flat angles C4'-P-C4' energy: -12.425
flat angles P-C4'-P energy: -5.491
tors. eta vs tors. theta energy: -11.628
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: 7
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -173.588645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.588645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.588645 (E_RNA)
where:
Base-Base interactions energy: -114.307
where: short stacking energy: -44.572
Base-Backbone interact. energy: -0.004
local terms energy: -59.277354
where:
bonds (distance) C4'-P energy: -11.596
bonds (distance) P-C4' energy: -10.459
flat angles C4'-P-C4' energy: -12.433
flat angles P-C4'-P energy: -9.744
tors. eta vs tors. theta energy: -15.046
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: 9
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -89.273045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.273045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.273045 (E_RNA)
where:
Base-Base interactions energy: -38.285
where: short stacking energy: -19.815
Base-Backbone interact. energy: -0.541
local terms energy: -50.446558
where:
bonds (distance) C4'-P energy: -12.254
bonds (distance) P-C4' energy: -14.358
flat angles C4'-P-C4' energy: -11.072
flat angles P-C4'-P energy: -10.528
tors. eta vs tors. theta energy: -2.234
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: 5
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -76.606741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.606741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.606741 (E_RNA)
where:
Base-Base interactions energy: -28.918
where: short stacking energy: -22.782
Base-Backbone interact. energy: -0.123
local terms energy: -47.565591
where:
bonds (distance) C4'-P energy: -11.346
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -8.527
flat angles P-C4'-P energy: -7.103
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: 4
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -75.111276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.111276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.111276 (E_RNA)
where:
Base-Base interactions energy: -32.158
where: short stacking energy: -20.978
Base-Backbone interact. energy: -0.430
local terms energy: -42.523713
where:
bonds (distance) C4'-P energy: -12.191
bonds (distance) P-C4' energy: -11.716
flat angles C4'-P-C4' energy: -12.620
flat angles P-C4'-P energy: -4.615
tors. eta vs tors. theta energy: -1.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -68.613085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.613085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.613085 (E_RNA)
where:
Base-Base interactions energy: -26.569
where: short stacking energy: -15.633
Base-Backbone interact. energy: -0.001
local terms energy: -42.043091
where:
bonds (distance) C4'-P energy: -7.293
bonds (distance) P-C4' energy: -11.279
flat angles C4'-P-C4' energy: -9.898
flat angles P-C4'-P energy: -8.694
tors. eta vs tors. theta energy: -4.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -56.724920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.724920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.724920 (E_RNA)
where:
Base-Base interactions energy: -15.737
where: short stacking energy: -3.339
Base-Backbone interact. energy: 1.442
local terms energy: -42.429407
where:
bonds (distance) C4'-P energy: -10.930
bonds (distance) P-C4' energy: -14.435
flat angles C4'-P-C4' energy: -7.882
flat angles P-C4'-P energy: -9.358
tors. eta vs tors. theta energy: 0.175
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: 10, replica: 8
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -62.617310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.617310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.617310 (E_RNA)
where:
Base-Base interactions energy: -25.325
where: short stacking energy: -11.817
Base-Backbone interact. energy: -0.356
local terms energy: -36.935988
where:
bonds (distance) C4'-P energy: -12.120
bonds (distance) P-C4' energy: -12.165
flat angles C4'-P-C4' energy: -6.541
flat angles P-C4'-P energy: -7.131
tors. eta vs tors. theta energy: 1.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -182.793240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.793240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.793240 (E_RNA)
where:
Base-Base interactions energy: -119.491
where: short stacking energy: -47.990
Base-Backbone interact. energy: -0.010
local terms energy: -63.291932
where:
bonds (distance) C4'-P energy: -9.342
bonds (distance) P-C4' energy: -13.085
flat angles C4'-P-C4' energy: -14.314
flat angles P-C4'-P energy: -10.245
tors. eta vs tors. theta energy: -16.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -178.413085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.413085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.413085 (E_RNA)
where:
Base-Base interactions energy: -120.142
where: short stacking energy: -46.801
Base-Backbone interact. energy: -0.107
local terms energy: -58.163401
where:
bonds (distance) C4'-P energy: -10.361
bonds (distance) P-C4' energy: -11.128
flat angles C4'-P-C4' energy: -12.175
flat angles P-C4'-P energy: -11.116
tors. eta vs tors. theta energy: -13.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -172.276513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.276513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.276513 (E_RNA)
where:
Base-Base interactions energy: -111.701
where: short stacking energy: -43.468
Base-Backbone interact. energy: -0.009
local terms energy: -60.567320
where:
bonds (distance) C4'-P energy: -11.579
bonds (distance) P-C4' energy: -12.476
flat angles C4'-P-C4' energy: -13.795
flat angles P-C4'-P energy: -7.732
tors. eta vs tors. theta energy: -14.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -127.523157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.523157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.523157 (E_RNA)
where:
Base-Base interactions energy: -72.892
where: short stacking energy: -31.355
Base-Backbone interact. energy: -0.095
local terms energy: -54.536732
where:
bonds (distance) C4'-P energy: -13.744
bonds (distance) P-C4' energy: -13.327
flat angles C4'-P-C4' energy: -13.984
flat angles P-C4'-P energy: -5.261
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: 5, replica: 5
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -79.002282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.002282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.002282 (E_RNA)
where:
Base-Base interactions energy: -38.057
where: short stacking energy: -25.494
Base-Backbone interact. energy: 0.350
local terms energy: -41.294550
where:
bonds (distance) C4'-P energy: -11.214
bonds (distance) P-C4' energy: -11.846
flat angles C4'-P-C4' energy: -9.681
flat angles P-C4'-P energy: -5.365
tors. eta vs tors. theta energy: -3.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -100.785111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.785111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.785111 (E_RNA)
where:
Base-Base interactions energy: -63.196
where: short stacking energy: -16.234
Base-Backbone interact. energy: -0.220
local terms energy: -37.369112
where:
bonds (distance) C4'-P energy: -6.768
bonds (distance) P-C4' energy: -12.187
flat angles C4'-P-C4' energy: -8.253
flat angles P-C4'-P energy: -7.968
tors. eta vs tors. theta energy: -2.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -69.368499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.368499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.368499 (E_RNA)
where:
Base-Base interactions energy: -26.753
where: short stacking energy: -13.716
Base-Backbone interact. energy: -0.020
local terms energy: -42.595604
where:
bonds (distance) C4'-P energy: -13.835
bonds (distance) P-C4' energy: -12.656
flat angles C4'-P-C4' energy: -8.621
flat angles P-C4'-P energy: -3.855
tors. eta vs tors. theta energy: -3.629
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: 4
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -82.492324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.492324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.492324 (E_RNA)
where:
Base-Base interactions energy: -38.085
where: short stacking energy: -19.311
Base-Backbone interact. energy: -0.139
local terms energy: -44.268296
where:
bonds (distance) C4'-P energy: -12.543
bonds (distance) P-C4' energy: -9.533
flat angles C4'-P-C4' energy: -11.450
flat angles P-C4'-P energy: -8.548
tors. eta vs tors. theta energy: -2.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -66.015913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.015913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.015913 (E_RNA)
where:
Base-Base interactions energy: -23.487
where: short stacking energy: -10.444
Base-Backbone interact. energy: 0.341
local terms energy: -42.869810
where:
bonds (distance) C4'-P energy: -9.454
bonds (distance) P-C4' energy: -13.254
flat angles C4'-P-C4' energy: -10.189
flat angles P-C4'-P energy: -8.757
tors. eta vs tors. theta energy: -1.214
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: 2
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -57.986843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.986843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.986843 (E_RNA)
where:
Base-Base interactions energy: -18.655
where: short stacking energy: -14.373
Base-Backbone interact. energy: 1.768
local terms energy: -41.099348
where:
bonds (distance) C4'-P energy: -14.547
bonds (distance) P-C4' energy: -10.868
flat angles C4'-P-C4' energy: -9.491
flat angles P-C4'-P energy: -1.463
tors. eta vs tors. theta energy: -4.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -181.412063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.412063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.412063 (E_RNA)
where:
Base-Base interactions energy: -117.613
where: short stacking energy: -47.062
Base-Backbone interact. energy: -1.132
local terms energy: -62.667273
where:
bonds (distance) C4'-P energy: -13.018
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -12.070
flat angles P-C4'-P energy: -8.840
tors. eta vs tors. theta energy: -15.266
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: 7
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -180.893281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.893281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.893281 (E_RNA)
where:
Base-Base interactions energy: -117.899
where: short stacking energy: -49.774
Base-Backbone interact. energy: -0.000
local terms energy: -62.993908
where:
bonds (distance) C4'-P energy: -12.067
bonds (distance) P-C4' energy: -10.706
flat angles C4'-P-C4' energy: -14.706
flat angles P-C4'-P energy: -8.997
tors. eta vs tors. theta energy: -16.518
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: 233
Temperature: 1.000000
Total energy: -166.345069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.345069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.345069 (E_RNA)
where:
Base-Base interactions energy: -105.780
where: short stacking energy: -36.452
Base-Backbone interact. energy: -0.189
local terms energy: -60.375407
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -13.805
flat angles C4'-P-C4' energy: -13.065
flat angles P-C4'-P energy: -7.715
tors. eta vs tors. theta energy: -12.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -139.789310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.789310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.789310 (E_RNA)
where:
Base-Base interactions energy: -90.706
where: short stacking energy: -26.693
Base-Backbone interact. energy: -0.559
local terms energy: -48.524095
where:
bonds (distance) C4'-P energy: -10.287
bonds (distance) P-C4' energy: -13.078
flat angles C4'-P-C4' energy: -11.136
flat angles P-C4'-P energy: -2.181
tors. eta vs tors. theta energy: -11.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -74.606167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.606167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.606167 (E_RNA)
where:
Base-Base interactions energy: -33.883
where: short stacking energy: -13.169
Base-Backbone interact. energy: -0.795
local terms energy: -39.927615
where:
bonds (distance) C4'-P energy: -5.802
bonds (distance) P-C4' energy: -9.696
flat angles C4'-P-C4' energy: -10.796
flat angles P-C4'-P energy: -7.740
tors. eta vs tors. theta energy: -5.893
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: 233
Temperature: 1.150000
Total energy: -80.993221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.993221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.993221 (E_RNA)
where:
Base-Base interactions energy: -39.168
where: short stacking energy: -11.148
Base-Backbone interact. energy: -0.279
local terms energy: -41.547023
where:
bonds (distance) C4'-P energy: -8.614
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -13.515
flat angles P-C4'-P energy: -5.537
tors. eta vs tors. theta energy: -0.848
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: 9
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -73.935786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.935786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.935786 (E_RNA)
where:
Base-Base interactions energy: -31.727
where: short stacking energy: -22.645
Base-Backbone interact. energy: -0.212
local terms energy: -41.996382
where:
bonds (distance) C4'-P energy: -10.034
bonds (distance) P-C4' energy: -12.413
flat angles C4'-P-C4' energy: -12.667
flat angles P-C4'-P energy: -3.467
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: 8, replica: 8
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -74.439964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.439964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.439964 (E_RNA)
where:
Base-Base interactions energy: -23.522
where: short stacking energy: -10.638
Base-Backbone interact. energy: -0.950
local terms energy: -49.968076
where:
bonds (distance) C4'-P energy: -11.772
bonds (distance) P-C4' energy: -12.300
flat angles C4'-P-C4' energy: -13.541
flat angles P-C4'-P energy: -9.943
tors. eta vs tors. theta energy: -2.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -62.778287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.778287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.778287 (E_RNA)
where:
Base-Base interactions energy: -25.532
where: short stacking energy: -9.829
Base-Backbone interact. energy: 1.274
local terms energy: -38.520107
where:
bonds (distance) C4'-P energy: -12.741
bonds (distance) P-C4' energy: -9.260
flat angles C4'-P-C4' energy: -9.595
flat angles P-C4'-P energy: -6.065
tors. eta vs tors. theta energy: -0.859
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: 10, replica: 2
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -57.929501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.929501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.929501 (E_RNA)
where:
Base-Base interactions energy: -21.013
where: short stacking energy: -20.871
Base-Backbone interact. energy: -0.894
local terms energy: -36.022585
where:
bonds (distance) C4'-P energy: -10.365
bonds (distance) P-C4' energy: -10.836
flat angles C4'-P-C4' energy: -8.046
flat angles P-C4'-P energy: -7.988
tors. eta vs tors. theta energy: 1.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -177.888349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.888349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.888349 (E_RNA)
where:
Base-Base interactions energy: -113.031
where: short stacking energy: -41.274
Base-Backbone interact. energy: -0.129
local terms energy: -64.729160
where:
bonds (distance) C4'-P energy: -12.398
bonds (distance) P-C4' energy: -14.463
flat angles C4'-P-C4' energy: -14.145
flat angles P-C4'-P energy: -8.768
tors. eta vs tors. theta energy: -14.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -175.664837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.664837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.664837 (E_RNA)
where:
Base-Base interactions energy: -116.899
where: short stacking energy: -47.502
Base-Backbone interact. energy: -0.005
local terms energy: -58.761000
where:
bonds (distance) C4'-P energy: -13.035
bonds (distance) P-C4' energy: -14.118
flat angles C4'-P-C4' energy: -9.690
flat angles P-C4'-P energy: -6.718
tors. eta vs tors. theta energy: -15.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -171.758033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.758033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.758033 (E_RNA)
where:
Base-Base interactions energy: -113.431
where: short stacking energy: -43.015
Base-Backbone interact. energy: -0.005
local terms energy: -58.321874
where:
bonds (distance) C4'-P energy: -11.507
bonds (distance) P-C4' energy: -10.192
flat angles C4'-P-C4' energy: -10.847
flat angles P-C4'-P energy: -8.400
tors. eta vs tors. theta energy: -17.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -167.648401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.648401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.648401 (E_RNA)
where:
Base-Base interactions energy: -108.142
where: short stacking energy: -44.268
Base-Backbone interact. energy: -0.851
local terms energy: -58.655520
where:
bonds (distance) C4'-P energy: -11.533
bonds (distance) P-C4' energy: -12.334
flat angles C4'-P-C4' energy: -10.845
flat angles P-C4'-P energy: -9.131
tors. eta vs tors. theta energy: -14.812
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: 234
Temperature: 1.100000
Total energy: -75.073857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.073857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.073857 (E_RNA)
where:
Base-Base interactions energy: -28.844
where: short stacking energy: -17.089
Base-Backbone interact. energy: -0.696
local terms energy: -45.533434
where:
bonds (distance) C4'-P energy: -11.628
bonds (distance) P-C4' energy: -12.412
flat angles C4'-P-C4' energy: -10.982
flat angles P-C4'-P energy: -8.850
tors. eta vs tors. theta energy: -1.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -86.959624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.959624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.959624 (E_RNA)
where:
Base-Base interactions energy: -44.161
where: short stacking energy: -17.425
Base-Backbone interact. energy: 1.349
local terms energy: -44.146710
where:
bonds (distance) C4'-P energy: -13.843
bonds (distance) P-C4' energy: -13.513
flat angles C4'-P-C4' energy: -7.189
flat angles P-C4'-P energy: -7.151
tors. eta vs tors. theta energy: -2.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -82.834402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.834402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.834402 (E_RNA)
where:
Base-Base interactions energy: -50.944
where: short stacking energy: -9.841
Base-Backbone interact. energy: -0.859
local terms energy: -31.031461
where:
bonds (distance) C4'-P energy: -9.893
bonds (distance) P-C4' energy: -6.405
flat angles C4'-P-C4' energy: -10.694
flat angles P-C4'-P energy: -5.246
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: 8, replica: 8
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -59.306657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.306657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.306657 (E_RNA)
where:
Base-Base interactions energy: -18.641
where: short stacking energy: -14.329
Base-Backbone interact. energy: -0.259
local terms energy: -40.407164
where:
bonds (distance) C4'-P energy: -6.868
bonds (distance) P-C4' energy: -12.419
flat angles C4'-P-C4' energy: -12.548
flat angles P-C4'-P energy: -7.731
tors. eta vs tors. theta energy: -0.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -62.469440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.469440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.469440 (E_RNA)
where:
Base-Base interactions energy: -24.268
where: short stacking energy: -16.275
Base-Backbone interact. energy: -0.958
local terms energy: -37.243972
where:
bonds (distance) C4'-P energy: -10.449
bonds (distance) P-C4' energy: -13.377
flat angles C4'-P-C4' energy: -1.505
flat angles P-C4'-P energy: -7.851
tors. eta vs tors. theta energy: -4.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -63.743759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.743759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.743759 (E_RNA)
where:
Base-Base interactions energy: -27.827
where: short stacking energy: -14.214
Base-Backbone interact. energy: -0.070
local terms energy: -35.846572
where:
bonds (distance) C4'-P energy: -10.211
bonds (distance) P-C4' energy: -8.818
flat angles C4'-P-C4' energy: -7.954
flat angles P-C4'-P energy: -8.902
tors. eta vs tors. theta energy: 0.037
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: 1
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -180.190087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.190087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.190087 (E_RNA)
where:
Base-Base interactions energy: -113.071
where: short stacking energy: -47.549
Base-Backbone interact. energy: -0.003
local terms energy: -67.116589
where:
bonds (distance) C4'-P energy: -12.865
bonds (distance) P-C4' energy: -14.907
flat angles C4'-P-C4' energy: -13.666
flat angles P-C4'-P energy: -10.563
tors. eta vs tors. theta energy: -15.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -175.278334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.278334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.278334 (E_RNA)
where:
Base-Base interactions energy: -116.797
where: short stacking energy: -43.171
Base-Backbone interact. energy: -0.014
local terms energy: -58.467244
where:
bonds (distance) C4'-P energy: -8.836
bonds (distance) P-C4' energy: -13.416
flat angles C4'-P-C4' energy: -13.461
flat angles P-C4'-P energy: -7.042
tors. eta vs tors. theta energy: -15.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -166.000877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.000877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.000877 (E_RNA)
where:
Base-Base interactions energy: -111.218
where: short stacking energy: -46.688
Base-Backbone interact. energy: -0.001
local terms energy: -54.781842
where:
bonds (distance) C4'-P energy: -7.519
bonds (distance) P-C4' energy: -10.055
flat angles C4'-P-C4' energy: -13.198
flat angles P-C4'-P energy: -8.310
tors. eta vs tors. theta energy: -15.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -168.983993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.983993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.983993 (E_RNA)
where:
Base-Base interactions energy: -109.342
where: short stacking energy: -37.863
Base-Backbone interact. energy: -0.002
local terms energy: -59.640779
where:
bonds (distance) C4'-P energy: -8.437
bonds (distance) P-C4' energy: -14.066
flat angles C4'-P-C4' energy: -12.485
flat angles P-C4'-P energy: -10.492
tors. eta vs tors. theta energy: -14.160
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: 5
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -72.476391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.476391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.476391 (E_RNA)
where:
Base-Base interactions energy: -26.946
where: short stacking energy: -26.946
Base-Backbone interact. energy: -0.126
local terms energy: -45.403833
where:
bonds (distance) C4'-P energy: -12.377
bonds (distance) P-C4' energy: -13.681
flat angles C4'-P-C4' energy: -11.144
flat angles P-C4'-P energy: -3.601
tors. eta vs tors. theta energy: -4.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -85.935068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.935068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.935068 (E_RNA)
where:
Base-Base interactions energy: -42.508
where: short stacking energy: -20.123
Base-Backbone interact. energy: -0.043
local terms energy: -43.383611
where:
bonds (distance) C4'-P energy: -11.710
bonds (distance) P-C4' energy: -11.364
flat angles C4'-P-C4' energy: -9.278
flat angles P-C4'-P energy: -8.000
tors. eta vs tors. theta energy: -3.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -91.678879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.678879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.678879 (E_RNA)
where:
Base-Base interactions energy: -54.218
where: short stacking energy: -19.706
Base-Backbone interact. energy: 1.524
local terms energy: -38.985829
where:
bonds (distance) C4'-P energy: -10.104
bonds (distance) P-C4' energy: -12.458
flat angles C4'-P-C4' energy: -10.878
flat angles P-C4'-P energy: -8.252
tors. eta vs tors. theta energy: 2.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -65.674202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.674202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.674202 (E_RNA)
where:
Base-Base interactions energy: -27.526
where: short stacking energy: -10.935
Base-Backbone interact. energy: -0.291
local terms energy: -37.857186
where:
bonds (distance) C4'-P energy: -9.051
bonds (distance) P-C4' energy: -10.143
flat angles C4'-P-C4' energy: -9.907
flat angles P-C4'-P energy: -8.346
tors. eta vs tors. theta energy: -0.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -61.291849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.291849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.291849 (E_RNA)
where:
Base-Base interactions energy: -22.027
where: short stacking energy: -12.733
Base-Backbone interact. energy: -0.339
local terms energy: -38.925781
where:
bonds (distance) C4'-P energy: -13.380
bonds (distance) P-C4' energy: -13.512
flat angles C4'-P-C4' energy: -12.008
flat angles P-C4'-P energy: -2.433
tors. eta vs tors. theta energy: 2.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -52.677140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.677140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.677140 (E_RNA)
where:
Base-Base interactions energy: -12.625
where: short stacking energy: -11.468
Base-Backbone interact. energy: -0.502
local terms energy: -39.549873
where:
bonds (distance) C4'-P energy: -9.083
bonds (distance) P-C4' energy: -12.920
flat angles C4'-P-C4' energy: -12.188
flat angles P-C4'-P energy: -7.511
tors. eta vs tors. theta energy: 2.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -187.730996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.730996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.730996 (E_RNA)
where:
Base-Base interactions energy: -122.696
where: short stacking energy: -39.043
Base-Backbone interact. energy: -0.247
local terms energy: -64.787568
where:
bonds (distance) C4'-P energy: -13.648
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -12.151
flat angles P-C4'-P energy: -11.629
tors. eta vs tors. theta energy: -12.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -174.717746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.717746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.717746 (E_RNA)
where:
Base-Base interactions energy: -115.368
where: short stacking energy: -42.844
Base-Backbone interact. energy: -0.021
local terms energy: -59.328671
where:
bonds (distance) C4'-P energy: -13.027
bonds (distance) P-C4' energy: -11.607
flat angles C4'-P-C4' energy: -12.218
flat angles P-C4'-P energy: -7.055
tors. eta vs tors. theta energy: -15.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -172.774541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.774541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.774541 (E_RNA)
where:
Base-Base interactions energy: -113.022
where: short stacking energy: -42.347
Base-Backbone interact. energy: -0.097
local terms energy: -59.655381
where:
bonds (distance) C4'-P energy: -9.923
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -11.646
flat angles P-C4'-P energy: -9.074
tors. eta vs tors. theta energy: -14.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -164.313755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.313755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.313755 (E_RNA)
where:
Base-Base interactions energy: -108.033
where: short stacking energy: -38.764
Base-Backbone interact. energy: -0.001
local terms energy: -56.279923
where:
bonds (distance) C4'-P energy: -13.656
bonds (distance) P-C4' energy: -10.296
flat angles C4'-P-C4' energy: -6.294
flat angles P-C4'-P energy: -9.970
tors. eta vs tors. theta energy: -16.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -94.967099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.967099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.967099 (E_RNA)
where:
Base-Base interactions energy: -48.125
where: short stacking energy: -21.833
Base-Backbone interact. energy: -0.017
local terms energy: -46.824550
where:
bonds (distance) C4'-P energy: -12.398
bonds (distance) P-C4' energy: -9.461
flat angles C4'-P-C4' energy: -13.280
flat angles P-C4'-P energy: -8.413
tors. eta vs tors. theta energy: -3.272
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: 5
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -94.496727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.496727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.496727 (E_RNA)
where:
Base-Base interactions energy: -50.660
where: short stacking energy: -21.767
Base-Backbone interact. energy: -0.139
local terms energy: -43.696895
where:
bonds (distance) C4'-P energy: -10.771
bonds (distance) P-C4' energy: -12.594
flat angles C4'-P-C4' energy: -11.429
flat angles P-C4'-P energy: -5.318
tors. eta vs tors. theta energy: -3.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -95.080598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.080598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.080598 (E_RNA)
where:
Base-Base interactions energy: -51.210
where: short stacking energy: -17.927
Base-Backbone interact. energy: -0.231
local terms energy: -43.640061
where:
bonds (distance) C4'-P energy: -12.969
bonds (distance) P-C4' energy: -14.876
flat angles C4'-P-C4' energy: -9.725
flat angles P-C4'-P energy: -3.618
tors. eta vs tors. theta energy: -2.453
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: 8, replica: 2
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -64.732846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.732846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.732846 (E_RNA)
where:
Base-Base interactions energy: -22.013
where: short stacking energy: -16.435
Base-Backbone interact. energy: 0.077
local terms energy: -42.796812
where:
bonds (distance) C4'-P energy: -7.534
bonds (distance) P-C4' energy: -13.809
flat angles C4'-P-C4' energy: -10.469
flat angles P-C4'-P energy: -7.735
tors. eta vs tors. theta energy: -3.250
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: 9, replica: 4
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -66.315058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.315058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.315058 (E_RNA)
where:
Base-Base interactions energy: -25.671
where: short stacking energy: -6.985
Base-Backbone interact. energy: -0.447
local terms energy: -40.197285
where:
bonds (distance) C4'-P energy: -9.840
bonds (distance) P-C4' energy: -13.243
flat angles C4'-P-C4' energy: -10.888
flat angles P-C4'-P energy: -6.572
tors. eta vs tors. theta energy: 0.346
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: 10, replica: 8
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -60.092189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.092189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.092189 (E_RNA)
where:
Base-Base interactions energy: -27.322
where: short stacking energy: -15.639
Base-Backbone interact. energy: -0.063
local terms energy: -32.707675
where:
bonds (distance) C4'-P energy: -4.180
bonds (distance) P-C4' energy: -11.754
flat angles C4'-P-C4' energy: -9.642
flat angles P-C4'-P energy: -5.475
tors. eta vs tors. theta energy: -1.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -184.166250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.166250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.166250 (E_RNA)
where:
Base-Base interactions energy: -118.728
where: short stacking energy: -47.435
Base-Backbone interact. energy: -0.084
local terms energy: -65.354666
where:
bonds (distance) C4'-P energy: -9.985
bonds (distance) P-C4' energy: -14.794
flat angles C4'-P-C4' energy: -13.358
flat angles P-C4'-P energy: -9.882
tors. eta vs tors. theta energy: -17.336
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: 3
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -176.623143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.623143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.623143 (E_RNA)
where:
Base-Base interactions energy: -113.974
where: short stacking energy: -47.131
Base-Backbone interact. energy: -0.587
local terms energy: -62.061666
where:
bonds (distance) C4'-P energy: -11.338
bonds (distance) P-C4' energy: -12.800
flat angles C4'-P-C4' energy: -15.107
flat angles P-C4'-P energy: -6.909
tors. eta vs tors. theta energy: -15.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -168.420453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.420453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.420453 (E_RNA)
where:
Base-Base interactions energy: -112.624
where: short stacking energy: -39.464
Base-Backbone interact. energy: -0.004
local terms energy: -55.792604
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -7.153
flat angles P-C4'-P energy: -7.283
tors. eta vs tors. theta energy: -15.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -172.752498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.752498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.752498 (E_RNA)
where:
Base-Base interactions energy: -117.387
where: short stacking energy: -51.768
Base-Backbone interact. energy: -0.003
local terms energy: -55.362569
where:
bonds (distance) C4'-P energy: -9.235
bonds (distance) P-C4' energy: -9.040
flat angles C4'-P-C4' energy: -11.526
flat angles P-C4'-P energy: -7.824
tors. eta vs tors. theta energy: -17.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -72.156345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.156345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.156345 (E_RNA)
where:
Base-Base interactions energy: -31.852
where: short stacking energy: -20.738
Base-Backbone interact. energy: -0.091
local terms energy: -40.212807
where:
bonds (distance) C4'-P energy: -9.197
bonds (distance) P-C4' energy: -12.668
flat angles C4'-P-C4' energy: -9.885
flat angles P-C4'-P energy: -5.052
tors. eta vs tors. theta energy: -3.411
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: 9
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -82.812865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.812865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.812865 (E_RNA)
where:
Base-Base interactions energy: -48.629
where: short stacking energy: -14.166
Base-Backbone interact. energy: 0.297
local terms energy: -34.481009
where:
bonds (distance) C4'-P energy: -11.185
bonds (distance) P-C4' energy: -11.781
flat angles C4'-P-C4' energy: -9.326
flat angles P-C4'-P energy: -3.973
tors. eta vs tors. theta energy: 1.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -60.891937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.891937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.891937 (E_RNA)
where:
Base-Base interactions energy: -15.319
where: short stacking energy: -9.509
Base-Backbone interact. energy: -0.094
local terms energy: -45.479376
where:
bonds (distance) C4'-P energy: -10.477
bonds (distance) P-C4' energy: -13.046
flat angles C4'-P-C4' energy: -10.692
flat angles P-C4'-P energy: -9.918
tors. eta vs tors. theta energy: -1.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -69.892380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.892380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.892380 (E_RNA)
where:
Base-Base interactions energy: -22.176
where: short stacking energy: -15.158
Base-Backbone interact. energy: 0.320
local terms energy: -48.036332
where:
bonds (distance) C4'-P energy: -13.044
bonds (distance) P-C4' energy: -12.677
flat angles C4'-P-C4' energy: -9.818
flat angles P-C4'-P energy: -10.043
tors. eta vs tors. theta energy: -2.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -61.073333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.073333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.073333 (E_RNA)
where:
Base-Base interactions energy: -14.654
where: short stacking energy: -14.654
Base-Backbone interact. energy: -0.118
local terms energy: -46.301274
where:
bonds (distance) C4'-P energy: -7.778
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -12.434
flat angles P-C4'-P energy: -6.965
tors. eta vs tors. theta energy: -4.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -74.052533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.052533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.052533 (E_RNA)
where:
Base-Base interactions energy: -34.682
where: short stacking energy: -20.422
Base-Backbone interact. energy: -0.297
local terms energy: -39.074259
where:
bonds (distance) C4'-P energy: -7.407
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -4.946
flat angles P-C4'-P energy: -7.891
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: 1, replica: 1
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -177.050554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.050554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.050554 (E_RNA)
where:
Base-Base interactions energy: -115.731
where: short stacking energy: -47.373
Base-Backbone interact. energy: -0.074
local terms energy: -61.245614
where:
bonds (distance) C4'-P energy: -13.354
bonds (distance) P-C4' energy: -7.331
flat angles C4'-P-C4' energy: -12.773
flat angles P-C4'-P energy: -11.136
tors. eta vs tors. theta energy: -16.651
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: 3
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -175.087929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.087929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.087929 (E_RNA)
where:
Base-Base interactions energy: -114.318
where: short stacking energy: -42.871
Base-Backbone interact. energy: -0.508
local terms energy: -60.262344
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -11.766
flat angles C4'-P-C4' energy: -13.075
flat angles P-C4'-P energy: -10.146
tors. eta vs tors. theta energy: -12.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -171.298772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.298772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.298772 (E_RNA)
where:
Base-Base interactions energy: -115.988
where: short stacking energy: -41.135
Base-Backbone interact. energy: -0.183
local terms energy: -55.127930
where:
bonds (distance) C4'-P energy: -8.969
bonds (distance) P-C4' energy: -11.725
flat angles C4'-P-C4' energy: -12.782
flat angles P-C4'-P energy: -6.367
tors. eta vs tors. theta energy: -15.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -175.494974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.494974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.494974 (E_RNA)
where:
Base-Base interactions energy: -114.490
where: short stacking energy: -50.315
Base-Backbone interact. energy: -0.004
local terms energy: -61.000103
where:
bonds (distance) C4'-P energy: -13.007
bonds (distance) P-C4' energy: -12.825
flat angles C4'-P-C4' energy: -8.500
flat angles P-C4'-P energy: -9.087
tors. eta vs tors. theta energy: -17.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -87.361421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.361421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.361421 (E_RNA)
where:
Base-Base interactions energy: -48.226
where: short stacking energy: -25.058
Base-Backbone interact. energy: -0.063
local terms energy: -39.072613
where:
bonds (distance) C4'-P energy: -11.285
bonds (distance) P-C4' energy: -8.247
flat angles C4'-P-C4' energy: -10.056
flat angles P-C4'-P energy: -8.384
tors. eta vs tors. theta energy: -1.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -90.825047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.825047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.825047 (E_RNA)
where:
Base-Base interactions energy: -49.074
where: short stacking energy: -15.750
Base-Backbone interact. energy: -0.159
local terms energy: -41.591618
where:
bonds (distance) C4'-P energy: -11.288
bonds (distance) P-C4' energy: -10.795
flat angles C4'-P-C4' energy: -8.911
flat angles P-C4'-P energy: -5.558
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: 7, replica: 4
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -61.088094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.088094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.088094 (E_RNA)
where:
Base-Base interactions energy: -22.976
where: short stacking energy: -15.208
Base-Backbone interact. energy: -0.211
local terms energy: -37.901080
where:
bonds (distance) C4'-P energy: -11.313
bonds (distance) P-C4' energy: -11.560
flat angles C4'-P-C4' energy: -8.493
flat angles P-C4'-P energy: -7.384
tors. eta vs tors. theta energy: 0.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -62.452769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.452769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.452769 (E_RNA)
where:
Base-Base interactions energy: -18.930
where: short stacking energy: -13.543
Base-Backbone interact. energy: -0.084
local terms energy: -43.439156
where:
bonds (distance) C4'-P energy: -12.199
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -13.265
flat angles P-C4'-P energy: -2.679
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: 8
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -61.540404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.540404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.540404 (E_RNA)
where:
Base-Base interactions energy: -22.770
where: short stacking energy: -9.280
Base-Backbone interact. energy: -0.486
local terms energy: -38.284373
where:
bonds (distance) C4'-P energy: -13.073
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -11.077
flat angles P-C4'-P energy: -4.110
tors. eta vs tors. theta energy: 2.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -51.073551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.073551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.073551 (E_RNA)
where:
Base-Base interactions energy: -15.100
where: short stacking energy: -14.546
Base-Backbone interact. energy: -0.133
local terms energy: -35.840499
where:
bonds (distance) C4'-P energy: -7.429
bonds (distance) P-C4' energy: -8.858
flat angles C4'-P-C4' energy: -12.395
flat angles P-C4'-P energy: -6.346
tors. eta vs tors. theta energy: -0.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -179.717957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.717957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.717957 (E_RNA)
where:
Base-Base interactions energy: -119.265
where: short stacking energy: -43.825
Base-Backbone interact. energy: -0.074
local terms energy: -60.378636
where:
bonds (distance) C4'-P energy: -12.228
bonds (distance) P-C4' energy: -12.169
flat angles C4'-P-C4' energy: -11.271
flat angles P-C4'-P energy: -8.052
tors. eta vs tors. theta energy: -16.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -177.187753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.187753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.187753 (E_RNA)
where:
Base-Base interactions energy: -118.390
where: short stacking energy: -47.263
Base-Backbone interact. energy: -0.595
local terms energy: -58.202821
where:
bonds (distance) C4'-P energy: -9.045
bonds (distance) P-C4' energy: -11.365
flat angles C4'-P-C4' energy: -12.080
flat angles P-C4'-P energy: -9.910
tors. eta vs tors. theta energy: -15.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -178.569050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.569050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.569050 (E_RNA)
where:
Base-Base interactions energy: -114.863
where: short stacking energy: -46.746
Base-Backbone interact. energy: -0.021
local terms energy: -63.685475
where:
bonds (distance) C4'-P energy: -12.468
bonds (distance) P-C4' energy: -11.969
flat angles C4'-P-C4' energy: -13.446
flat angles P-C4'-P energy: -8.245
tors. eta vs tors. theta energy: -17.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -172.818816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.818816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.818816 (E_RNA)
where:
Base-Base interactions energy: -112.118
where: short stacking energy: -39.670
Base-Backbone interact. energy: -0.615
local terms energy: -60.085939
where:
bonds (distance) C4'-P energy: -10.518
bonds (distance) P-C4' energy: -13.276
flat angles C4'-P-C4' energy: -11.978
flat angles P-C4'-P energy: -10.834
tors. eta vs tors. theta energy: -13.480
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: 10
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -91.795061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.795061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.795061 (E_RNA)
where:
Base-Base interactions energy: -58.005
where: short stacking energy: -18.672
Base-Backbone interact. energy: -0.316
local terms energy: -33.474207
where:
bonds (distance) C4'-P energy: -8.685
bonds (distance) P-C4' energy: -10.119
flat angles C4'-P-C4' energy: -8.328
flat angles P-C4'-P energy: -5.950
tors. eta vs tors. theta energy: -0.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -74.638414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.638414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.638414 (E_RNA)
where:
Base-Base interactions energy: -19.284
where: short stacking energy: -19.327
Base-Backbone interact. energy: -0.014
local terms energy: -55.340428
where:
bonds (distance) C4'-P energy: -12.857
bonds (distance) P-C4' energy: -13.598
flat angles C4'-P-C4' energy: -12.116
flat angles P-C4'-P energy: -6.242
tors. eta vs tors. theta energy: -10.527
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: 7, replica: 9
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -71.414966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.414966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.414966 (E_RNA)
where:
Base-Base interactions energy: -32.633
where: short stacking energy: -9.116
Base-Backbone interact. energy: -0.573
local terms energy: -38.209364
where:
bonds (distance) C4'-P energy: -7.748
bonds (distance) P-C4' energy: -11.444
flat angles C4'-P-C4' energy: -11.715
flat angles P-C4'-P energy: -5.095
tors. eta vs tors. theta energy: -2.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -61.984529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.984529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.984529 (E_RNA)
where:
Base-Base interactions energy: -31.359
where: short stacking energy: -9.918
Base-Backbone interact. energy: -0.139
local terms energy: -30.486312
where:
bonds (distance) C4'-P energy: -4.826
bonds (distance) P-C4' energy: -10.678
flat angles C4'-P-C4' energy: -9.432
flat angles P-C4'-P energy: -7.108
tors. eta vs tors. theta energy: 1.558
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: 9, replica: 5
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -57.407115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.407115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.407115 (E_RNA)
where:
Base-Base interactions energy: -10.791
where: short stacking energy: -10.791
Base-Backbone interact. energy: -1.162
local terms energy: -45.454362
where:
bonds (distance) C4'-P energy: -11.491
bonds (distance) P-C4' energy: -11.692
flat angles C4'-P-C4' energy: -10.289
flat angles P-C4'-P energy: -8.196
tors. eta vs tors. theta energy: -3.787
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: 2
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -67.693277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.693277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.693277 (E_RNA)
where:
Base-Base interactions energy: -22.565
where: short stacking energy: -18.539
Base-Backbone interact. energy: -0.297
local terms energy: -44.831362
where:
bonds (distance) C4'-P energy: -8.825
bonds (distance) P-C4' energy: -14.055
flat angles C4'-P-C4' energy: -11.527
flat angles P-C4'-P energy: -9.816
tors. eta vs tors. theta energy: -0.610
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: 7
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -182.553143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.553143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.553143 (E_RNA)
where:
Base-Base interactions energy: -119.752
where: short stacking energy: -45.978
Base-Backbone interact. energy: -0.008
local terms energy: -62.793388
where:
bonds (distance) C4'-P energy: -12.328
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -13.584
flat angles P-C4'-P energy: -7.129
tors. eta vs tors. theta energy: -14.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -179.441772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.441772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.441772 (E_RNA)
where:
Base-Base interactions energy: -115.557
where: short stacking energy: -42.585
Base-Backbone interact. energy: -0.001
local terms energy: -63.883552
where:
bonds (distance) C4'-P energy: -11.297
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -14.375
flat angles P-C4'-P energy: -8.664
tors. eta vs tors. theta energy: -15.156
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: 3, replica: 6
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -178.590081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.590081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.590081 (E_RNA)
where:
Base-Base interactions energy: -112.307
where: short stacking energy: -44.623
Base-Backbone interact. energy: -0.869
local terms energy: -65.414260
where:
bonds (distance) C4'-P energy: -12.733
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -14.115
flat angles P-C4'-P energy: -9.630
tors. eta vs tors. theta energy: -14.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -170.278242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.278242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.278242 (E_RNA)
where:
Base-Base interactions energy: -106.434
where: short stacking energy: -38.911
Base-Backbone interact. energy: -0.070
local terms energy: -63.774508
where:
bonds (distance) C4'-P energy: -12.643
bonds (distance) P-C4' energy: -14.403
flat angles C4'-P-C4' energy: -13.687
flat angles P-C4'-P energy: -8.815
tors. eta vs tors. theta energy: -14.226
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: 240
Temperature: 1.100000
Total energy: -84.680387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.680387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.680387 (E_RNA)
where:
Base-Base interactions energy: -44.719
where: short stacking energy: -19.739
Base-Backbone interact. energy: -0.115
local terms energy: -39.845915
where:
bonds (distance) C4'-P energy: -9.560
bonds (distance) P-C4' energy: -9.379
flat angles C4'-P-C4' energy: -11.528
flat angles P-C4'-P energy: -9.727
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: 6, replica: 4
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -88.452353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.452353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.452353 (E_RNA)
where:
Base-Base interactions energy: -49.916
where: short stacking energy: -18.704
Base-Backbone interact. energy: 0.782
local terms energy: -39.317958
where:
bonds (distance) C4'-P energy: -6.854
bonds (distance) P-C4' energy: -12.497
flat angles C4'-P-C4' energy: -8.005
flat angles P-C4'-P energy: -7.349
tors. eta vs tors. theta energy: -4.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -81.063157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.063157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.063157 (E_RNA)
where:
Base-Base interactions energy: -33.140
where: short stacking energy: -22.675
Base-Backbone interact. energy: -0.013
local terms energy: -47.909740
where:
bonds (distance) C4'-P energy: -11.603
bonds (distance) P-C4' energy: -11.281
flat angles C4'-P-C4' energy: -9.609
flat angles P-C4'-P energy: -8.798
tors. eta vs tors. theta energy: -6.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -70.427202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.427202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.427202 (E_RNA)
where:
Base-Base interactions energy: -25.938
where: short stacking energy: -20.442
Base-Backbone interact. energy: -0.398
local terms energy: -44.090383
where:
bonds (distance) C4'-P energy: -11.942
bonds (distance) P-C4' energy: -11.818
flat angles C4'-P-C4' energy: -7.641
flat angles P-C4'-P energy: -9.675
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: 9, replica: 5
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -57.427212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.427212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.427212 (E_RNA)
where:
Base-Base interactions energy: -21.727
where: short stacking energy: -12.731
Base-Backbone interact. energy: -0.118
local terms energy: -35.582417
where:
bonds (distance) C4'-P energy: -10.602
bonds (distance) P-C4' energy: -12.960
flat angles C4'-P-C4' energy: -9.467
flat angles P-C4'-P energy: -3.388
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: 2
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -53.579119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.579119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.579119 (E_RNA)
where:
Base-Base interactions energy: -23.775
where: short stacking energy: -3.435
Base-Backbone interact. energy: -0.269
local terms energy: -29.535434
where:
bonds (distance) C4'-P energy: -10.188
bonds (distance) P-C4' energy: -8.894
flat angles C4'-P-C4' energy: -7.409
flat angles P-C4'-P energy: -6.812
tors. eta vs tors. theta energy: 3.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -180.905397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.905397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.905397 (E_RNA)
where:
Base-Base interactions energy: -123.673
where: short stacking energy: -43.063
Base-Backbone interact. energy: -0.058
local terms energy: -57.173892
where:
bonds (distance) C4'-P energy: -11.360
bonds (distance) P-C4' energy: -13.748
flat angles C4'-P-C4' energy: -13.494
flat angles P-C4'-P energy: -4.692
tors. eta vs tors. theta energy: -13.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -177.090123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.090123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.090123 (E_RNA)
where:
Base-Base interactions energy: -113.283
where: short stacking energy: -39.961
Base-Backbone interact. energy: -0.061
local terms energy: -63.746528
where:
bonds (distance) C4'-P energy: -13.301
bonds (distance) P-C4' energy: -10.843
flat angles C4'-P-C4' energy: -13.777
flat angles P-C4'-P energy: -9.927
tors. eta vs tors. theta energy: -15.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -167.442002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.442002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.442002 (E_RNA)
where:
Base-Base interactions energy: -104.862
where: short stacking energy: -40.378
Base-Backbone interact. energy: -0.071
local terms energy: -62.508509
where:
bonds (distance) C4'-P energy: -14.075
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -11.502
flat angles P-C4'-P energy: -8.679
tors. eta vs tors. theta energy: -13.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -168.961981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.961981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.961981 (E_RNA)
where:
Base-Base interactions energy: -113.918
where: short stacking energy: -49.837
Base-Backbone interact. energy: -0.008
local terms energy: -55.036855
where:
bonds (distance) C4'-P energy: -7.374
bonds (distance) P-C4' energy: -11.659
flat angles C4'-P-C4' energy: -10.140
flat angles P-C4'-P energy: -9.592
tors. eta vs tors. theta energy: -16.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -79.225813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.225813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.225813 (E_RNA)
where:
Base-Base interactions energy: -29.346
where: short stacking energy: -9.778
Base-Backbone interact. energy: -0.148
local terms energy: -49.731953
where:
bonds (distance) C4'-P energy: -11.599
bonds (distance) P-C4' energy: -13.733
flat angles C4'-P-C4' energy: -13.307
flat angles P-C4'-P energy: -10.135
tors. eta vs tors. theta energy: -0.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -74.328337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.328337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.328337 (E_RNA)
where:
Base-Base interactions energy: -26.562
where: short stacking energy: -19.215
Base-Backbone interact. energy: -0.033
local terms energy: -47.732452
where:
bonds (distance) C4'-P energy: -9.466
bonds (distance) P-C4' energy: -12.849
flat angles C4'-P-C4' energy: -13.157
flat angles P-C4'-P energy: -8.715
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: 7, replica: 4
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -79.751184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.751184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.751184 (E_RNA)
where:
Base-Base interactions energy: -36.841
where: short stacking energy: -19.710
Base-Backbone interact. energy: -0.222
local terms energy: -42.688290
where:
bonds (distance) C4'-P energy: -12.282
bonds (distance) P-C4' energy: -11.979
flat angles C4'-P-C4' energy: -12.063
flat angles P-C4'-P energy: -6.877
tors. eta vs tors. theta energy: 0.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -55.508161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.508161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.508161 (E_RNA)
where:
Base-Base interactions energy: -12.220
where: short stacking energy: -12.220
Base-Backbone interact. energy: -0.174
local terms energy: -43.114232
where:
bonds (distance) C4'-P energy: -12.303
bonds (distance) P-C4' energy: -12.162
flat angles C4'-P-C4' energy: -10.622
flat angles P-C4'-P energy: -6.360
tors. eta vs tors. theta energy: -1.667
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: 9
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -64.110800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.110800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.110800 (E_RNA)
where:
Base-Base interactions energy: -16.535
where: short stacking energy: -11.893
Base-Backbone interact. energy: -0.106
local terms energy: -47.469576
where:
bonds (distance) C4'-P energy: -13.566
bonds (distance) P-C4' energy: -13.466
flat angles C4'-P-C4' energy: -8.749
flat angles P-C4'-P energy: -8.507
tors. eta vs tors. theta energy: -3.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -52.284183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.284183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.284183 (E_RNA)
where:
Base-Base interactions energy: -9.820
where: short stacking energy: -9.820
Base-Backbone interact. energy: -0.069
local terms energy: -42.395489
where:
bonds (distance) C4'-P energy: -11.437
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -10.926
flat angles P-C4'-P energy: -5.360
tors. eta vs tors. theta energy: -1.570
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: 7
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -180.632946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.632946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.632946 (E_RNA)
where:
Base-Base interactions energy: -121.228
where: short stacking energy: -49.302
Base-Backbone interact. energy: -0.036
local terms energy: -59.369002
where:
bonds (distance) C4'-P energy: -11.925
bonds (distance) P-C4' energy: -10.479
flat angles C4'-P-C4' energy: -10.697
flat angles P-C4'-P energy: -10.357
tors. eta vs tors. theta energy: -15.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -176.851143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.851143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.851143 (E_RNA)
where:
Base-Base interactions energy: -117.076
where: short stacking energy: -47.510
Base-Backbone interact. energy: -0.000
local terms energy: -59.774528
where:
bonds (distance) C4'-P energy: -12.714
bonds (distance) P-C4' energy: -14.132
flat angles C4'-P-C4' energy: -11.877
flat angles P-C4'-P energy: -5.038
tors. eta vs tors. theta energy: -16.013
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: 3
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -177.032198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.032198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.032198 (E_RNA)
where:
Base-Base interactions energy: -112.672
where: short stacking energy: -45.318
Base-Backbone interact. energy: -0.652
local terms energy: -63.708639
where:
bonds (distance) C4'-P energy: -11.107
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -14.565
flat angles P-C4'-P energy: -7.088
tors. eta vs tors. theta energy: -16.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -177.234424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.234424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.234424 (E_RNA)
where:
Base-Base interactions energy: -112.298
where: short stacking energy: -40.656
Base-Backbone interact. energy: -0.669
local terms energy: -64.267871
where:
bonds (distance) C4'-P energy: -12.083
bonds (distance) P-C4' energy: -10.597
flat angles C4'-P-C4' energy: -14.668
flat angles P-C4'-P energy: -8.953
tors. eta vs tors. theta energy: -17.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -81.562373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.562373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.562373 (E_RNA)
where:
Base-Base interactions energy: -28.721
where: short stacking energy: -19.618
Base-Backbone interact. energy: -1.145
local terms energy: -51.695730
where:
bonds (distance) C4'-P energy: -9.499
bonds (distance) P-C4' energy: -14.321
flat angles C4'-P-C4' energy: -12.755
flat angles P-C4'-P energy: -6.919
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: 6, replica: 10
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -84.541642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.541642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.541642 (E_RNA)
where:
Base-Base interactions energy: -38.744
where: short stacking energy: -17.590
Base-Backbone interact. energy: -0.047
local terms energy: -45.750488
where:
bonds (distance) C4'-P energy: -12.679
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -11.511
flat angles P-C4'-P energy: -4.521
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: 7, replica: 4
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -74.619675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.619675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.619675 (E_RNA)
where:
Base-Base interactions energy: -26.407
where: short stacking energy: -26.407
Base-Backbone interact. energy: -0.193
local terms energy: -48.019889
where:
bonds (distance) C4'-P energy: -11.470
bonds (distance) P-C4' energy: -10.386
flat angles C4'-P-C4' energy: -11.441
flat angles P-C4'-P energy: -5.879
tors. eta vs tors. theta energy: -8.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -78.248345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.248345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.248345 (E_RNA)
where:
Base-Base interactions energy: -36.278
where: short stacking energy: -17.919
Base-Backbone interact. energy: -0.059
local terms energy: -41.910958
where:
bonds (distance) C4'-P energy: -5.650
bonds (distance) P-C4' energy: -13.423
flat angles C4'-P-C4' energy: -12.130
flat angles P-C4'-P energy: -10.013
tors. eta vs tors. theta energy: -0.695
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: 2
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -58.321790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.321790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.321790 (E_RNA)
where:
Base-Base interactions energy: -14.758
where: short stacking energy: -14.726
Base-Backbone interact. energy: -0.067
local terms energy: -43.497498
where:
bonds (distance) C4'-P energy: -13.019
bonds (distance) P-C4' energy: -12.834
flat angles C4'-P-C4' energy: -10.053
flat angles P-C4'-P energy: -2.057
tors. eta vs tors. theta energy: -5.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -64.576346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.576346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.576346 (E_RNA)
where:
Base-Base interactions energy: -31.030
where: short stacking energy: -14.077
Base-Backbone interact. energy: 0.543
local terms energy: -34.089338
where:
bonds (distance) C4'-P energy: -8.072
bonds (distance) P-C4' energy: -13.484
flat angles C4'-P-C4' energy: -10.591
flat angles P-C4'-P energy: -1.689
tors. eta vs tors. theta energy: -0.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -180.783599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.783599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.783599 (E_RNA)
where:
Base-Base interactions energy: -119.020
where: short stacking energy: -44.628
Base-Backbone interact. energy: -1.053
local terms energy: -60.710627
where:
bonds (distance) C4'-P energy: -12.025
bonds (distance) P-C4' energy: -13.926
flat angles C4'-P-C4' energy: -12.757
flat angles P-C4'-P energy: -7.873
tors. eta vs tors. theta energy: -14.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -181.159954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.159954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.159954 (E_RNA)
where:
Base-Base interactions energy: -117.181
where: short stacking energy: -44.180
Base-Backbone interact. energy: -0.373
local terms energy: -63.605365
where:
bonds (distance) C4'-P energy: -11.048
bonds (distance) P-C4' energy: -13.427
flat angles C4'-P-C4' energy: -13.654
flat angles P-C4'-P energy: -9.174
tors. eta vs tors. theta energy: -16.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -180.386222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.386222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.386222 (E_RNA)
where:
Base-Base interactions energy: -119.505
where: short stacking energy: -50.225
Base-Backbone interact. energy: 0.830
local terms energy: -61.711327
where:
bonds (distance) C4'-P energy: -12.866
bonds (distance) P-C4' energy: -10.699
flat angles C4'-P-C4' energy: -12.931
flat angles P-C4'-P energy: -9.505
tors. eta vs tors. theta energy: -15.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -179.884051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.884051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.884051 (E_RNA)
where:
Base-Base interactions energy: -115.897
where: short stacking energy: -50.223
Base-Backbone interact. energy: -0.628
local terms energy: -63.358949
where:
bonds (distance) C4'-P energy: -12.163
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -10.206
flat angles P-C4'-P energy: -9.443
tors. eta vs tors. theta energy: -18.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -67.595306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.595306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.595306 (E_RNA)
where:
Base-Base interactions energy: -22.682
where: short stacking energy: -22.682
Base-Backbone interact. energy: -0.220
local terms energy: -44.693029
where:
bonds (distance) C4'-P energy: -14.725
bonds (distance) P-C4' energy: -12.857
flat angles C4'-P-C4' energy: -4.845
flat angles P-C4'-P energy: -7.619
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: 6, replica: 4
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -105.865098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.865098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.865098 (E_RNA)
where:
Base-Base interactions energy: -55.080
where: short stacking energy: -18.125
Base-Backbone interact. energy: -0.520
local terms energy: -50.264718
where:
bonds (distance) C4'-P energy: -11.686
bonds (distance) P-C4' energy: -12.601
flat angles C4'-P-C4' energy: -12.028
flat angles P-C4'-P energy: -8.599
tors. eta vs tors. theta energy: -5.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -68.248281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.248281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.248281 (E_RNA)
where:
Base-Base interactions energy: -23.897
where: short stacking energy: -18.449
Base-Backbone interact. energy: 0.147
local terms energy: -44.498518
where:
bonds (distance) C4'-P energy: -10.654
bonds (distance) P-C4' energy: -11.795
flat angles C4'-P-C4' energy: -7.227
flat angles P-C4'-P energy: -8.938
tors. eta vs tors. theta energy: -5.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -70.687846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.687846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.687846 (E_RNA)
where:
Base-Base interactions energy: -33.855
where: short stacking energy: -20.878
Base-Backbone interact. energy: -0.006
local terms energy: -36.826450
where:
bonds (distance) C4'-P energy: -12.468
bonds (distance) P-C4' energy: -8.327
flat angles C4'-P-C4' energy: -9.377
flat angles P-C4'-P energy: -5.731
tors. eta vs tors. theta energy: -0.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -65.356858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.356858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.356858 (E_RNA)
where:
Base-Base interactions energy: -27.541
where: short stacking energy: -17.223
Base-Backbone interact. energy: -0.162
local terms energy: -37.653346
where:
bonds (distance) C4'-P energy: -9.723
bonds (distance) P-C4' energy: -13.873
flat angles C4'-P-C4' energy: -12.039
flat angles P-C4'-P energy: 0.895
tors. eta vs tors. theta energy: -2.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -52.210996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.210996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.210996 (E_RNA)
where:
Base-Base interactions energy: -15.646
where: short stacking energy: -9.816
Base-Backbone interact. energy: -0.174
local terms energy: -36.391555
where:
bonds (distance) C4'-P energy: -8.648
bonds (distance) P-C4' energy: -11.377
flat angles C4'-P-C4' energy: -5.415
flat angles P-C4'-P energy: -8.521
tors. eta vs tors. theta energy: -2.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -181.557094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.557094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.557094 (E_RNA)
where:
Base-Base interactions energy: -118.592
where: short stacking energy: -44.347
Base-Backbone interact. energy: -0.397
local terms energy: -62.568002
where:
bonds (distance) C4'-P energy: -13.337
bonds (distance) P-C4' energy: -11.722
flat angles C4'-P-C4' energy: -14.715
flat angles P-C4'-P energy: -9.822
tors. eta vs tors. theta energy: -12.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -169.787048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.787048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.787048 (E_RNA)
where:
Base-Base interactions energy: -111.197
where: short stacking energy: -37.050
Base-Backbone interact. energy: -0.173
local terms energy: -58.417553
where:
bonds (distance) C4'-P energy: -7.611
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -13.313
flat angles P-C4'-P energy: -10.135
tors. eta vs tors. theta energy: -13.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -181.104937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.104937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.104937 (E_RNA)
where:
Base-Base interactions energy: -116.304
where: short stacking energy: -45.282
Base-Backbone interact. energy: -0.006
local terms energy: -64.795197
where:
bonds (distance) C4'-P energy: -12.182
bonds (distance) P-C4' energy: -12.957
flat angles C4'-P-C4' energy: -13.144
flat angles P-C4'-P energy: -9.714
tors. eta vs tors. theta energy: -16.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -167.160730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.160730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.160730 (E_RNA)
where:
Base-Base interactions energy: -111.571
where: short stacking energy: -39.701
Base-Backbone interact. energy: -0.065
local terms energy: -55.524548
where:
bonds (distance) C4'-P energy: -8.764
bonds (distance) P-C4' energy: -12.708
flat angles C4'-P-C4' energy: -13.050
flat angles P-C4'-P energy: -9.582
tors. eta vs tors. theta energy: -11.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -107.840206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.840206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.840206 (E_RNA)
where:
Base-Base interactions energy: -67.226
where: short stacking energy: -26.353
Base-Backbone interact. energy: -0.122
local terms energy: -40.492163
where:
bonds (distance) C4'-P energy: -7.301
bonds (distance) P-C4' energy: -13.734
flat angles C4'-P-C4' energy: -7.416
flat angles P-C4'-P energy: -4.074
tors. eta vs tors. theta energy: -7.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -68.757113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.757113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.757113 (E_RNA)
where:
Base-Base interactions energy: -22.043
where: short stacking energy: -14.071
Base-Backbone interact. energy: -0.857
local terms energy: -45.857805
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -15.351
flat angles C4'-P-C4' energy: -11.141
flat angles P-C4'-P energy: -5.885
tors. eta vs tors. theta energy: -0.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -76.392137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.392137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.392137 (E_RNA)
where:
Base-Base interactions energy: -41.791
where: short stacking energy: -18.820
Base-Backbone interact. energy: -0.293
local terms energy: -34.308646
where:
bonds (distance) C4'-P energy: -8.560
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -6.306
flat angles P-C4'-P energy: -3.398
tors. eta vs tors. theta energy: -1.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -67.010759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.010759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.010759 (E_RNA)
where:
Base-Base interactions energy: -26.913
where: short stacking energy: -10.297
Base-Backbone interact. energy: -0.436
local terms energy: -39.661497
where:
bonds (distance) C4'-P energy: -9.028
bonds (distance) P-C4' energy: -11.429
flat angles C4'-P-C4' energy: -7.027
flat angles P-C4'-P energy: -10.498
tors. eta vs tors. theta energy: -1.678
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: 9, replica: 5
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -67.611848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.611848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.611848 (E_RNA)
where:
Base-Base interactions energy: -28.494
where: short stacking energy: -22.065
Base-Backbone interact. energy: -0.057
local terms energy: -39.061592
where:
bonds (distance) C4'-P energy: -7.783
bonds (distance) P-C4' energy: -14.671
flat angles C4'-P-C4' energy: -10.579
flat angles P-C4'-P energy: -7.819
tors. eta vs tors. theta energy: 1.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -68.809654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.809654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.809654 (E_RNA)
where:
Base-Base interactions energy: -33.521
where: short stacking energy: -12.400
Base-Backbone interact. energy: -0.119
local terms energy: -35.170242
where:
bonds (distance) C4'-P energy: -8.696
bonds (distance) P-C4' energy: -10.758
flat angles C4'-P-C4' energy: -8.887
flat angles P-C4'-P energy: -8.515
tors. eta vs tors. theta energy: 1.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -178.838932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.838932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.838932 (E_RNA)
where:
Base-Base interactions energy: -107.940
where: short stacking energy: -44.955
Base-Backbone interact. energy: -0.002
local terms energy: -70.896739
where:
bonds (distance) C4'-P energy: -14.054
bonds (distance) P-C4' energy: -15.361
flat angles C4'-P-C4' energy: -11.649
flat angles P-C4'-P energy: -12.312
tors. eta vs tors. theta energy: -17.521
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: 6
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -175.399835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.399835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.399835 (E_RNA)
where:
Base-Base interactions energy: -111.183
where: short stacking energy: -41.723
Base-Backbone interact. energy: -0.032
local terms energy: -64.184482
where:
bonds (distance) C4'-P energy: -9.499
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -14.395
flat angles P-C4'-P energy: -11.463
tors. eta vs tors. theta energy: -15.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -183.129122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.129122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.129122 (E_RNA)
where:
Base-Base interactions energy: -116.963
where: short stacking energy: -43.720
Base-Backbone interact. energy: -0.004
local terms energy: -66.163013
where:
bonds (distance) C4'-P energy: -11.180
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -13.695
flat angles P-C4'-P energy: -9.480
tors. eta vs tors. theta energy: -17.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -165.643047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.643047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.643047 (E_RNA)
where:
Base-Base interactions energy: -103.089
where: short stacking energy: -42.726
Base-Backbone interact. energy: -0.004
local terms energy: -62.550030
where:
bonds (distance) C4'-P energy: -13.284
bonds (distance) P-C4' energy: -11.374
flat angles C4'-P-C4' energy: -13.877
flat angles P-C4'-P energy: -8.596
tors. eta vs tors. theta energy: -15.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -98.867053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.867053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.867053 (E_RNA)
where:
Base-Base interactions energy: -57.303
where: short stacking energy: -20.581
Base-Backbone interact. energy: -0.210
local terms energy: -41.354064
where:
bonds (distance) C4'-P energy: -11.558
bonds (distance) P-C4' energy: -11.349
flat angles C4'-P-C4' energy: -8.097
flat angles P-C4'-P energy: -8.192
tors. eta vs tors. theta energy: -2.159
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: 2
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -102.216772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.216772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.216772 (E_RNA)
where:
Base-Base interactions energy: -51.930
where: short stacking energy: -22.776
Base-Backbone interact. energy: -0.499
local terms energy: -49.787786
where:
bonds (distance) C4'-P energy: -12.401
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -10.500
flat angles P-C4'-P energy: -10.308
tors. eta vs tors. theta energy: -2.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -62.509650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.509650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.509650 (E_RNA)
where:
Base-Base interactions energy: -26.201
where: short stacking energy: -2.188
Base-Backbone interact. energy: -0.193
local terms energy: -36.115677
where:
bonds (distance) C4'-P energy: -12.948
bonds (distance) P-C4' energy: -9.931
flat angles C4'-P-C4' energy: -12.756
flat angles P-C4'-P energy: -4.216
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: 8, replica: 5
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -72.505850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.505850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.505850 (E_RNA)
where:
Base-Base interactions energy: -35.794
where: short stacking energy: -18.512
Base-Backbone interact. energy: 1.047
local terms energy: -37.758891
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -9.524
flat angles C4'-P-C4' energy: -9.973
flat angles P-C4'-P energy: -6.468
tors. eta vs tors. theta energy: 0.160
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: 9, replica: 10
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -64.686717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.686717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.686717 (E_RNA)
where:
Base-Base interactions energy: -19.616
where: short stacking energy: -14.773
Base-Backbone interact. energy: -0.036
local terms energy: -45.034888
where:
bonds (distance) C4'-P energy: -11.417
bonds (distance) P-C4' energy: -12.398
flat angles C4'-P-C4' energy: -8.692
flat angles P-C4'-P energy: -8.380
tors. eta vs tors. theta energy: -4.148
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: 9
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -58.993968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.993968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.993968 (E_RNA)
where:
Base-Base interactions energy: -22.682
where: short stacking energy: -22.682
Base-Backbone interact. energy: -0.063
local terms energy: -36.249162
where:
bonds (distance) C4'-P energy: -11.702
bonds (distance) P-C4' energy: -11.238
flat angles C4'-P-C4' energy: -7.319
flat angles P-C4'-P energy: -7.024
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: 6
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -174.781792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.781792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.781792 (E_RNA)
where:
Base-Base interactions energy: -110.118
where: short stacking energy: -40.741
Base-Backbone interact. energy: -0.257
local terms energy: -64.407525
where:
bonds (distance) C4'-P energy: -14.377
bonds (distance) P-C4' energy: -12.147
flat angles C4'-P-C4' energy: -13.832
flat angles P-C4'-P energy: -10.422
tors. eta vs tors. theta energy: -13.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -180.048014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.048014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.048014 (E_RNA)
where:
Base-Base interactions energy: -116.961
where: short stacking energy: -45.173
Base-Backbone interact. energy: -0.008
local terms energy: -63.078645
where:
bonds (distance) C4'-P energy: -12.555
bonds (distance) P-C4' energy: -14.178
flat angles C4'-P-C4' energy: -12.436
flat angles P-C4'-P energy: -7.595
tors. eta vs tors. theta energy: -16.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -175.571496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.571496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.571496 (E_RNA)
where:
Base-Base interactions energy: -112.859
where: short stacking energy: -49.736
Base-Backbone interact. energy: -0.026
local terms energy: -62.686682
where:
bonds (distance) C4'-P energy: -12.749
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -13.978
flat angles P-C4'-P energy: -6.281
tors. eta vs tors. theta energy: -16.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -171.909352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.909352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.909352 (E_RNA)
where:
Base-Base interactions energy: -114.825
where: short stacking energy: -44.566
Base-Backbone interact. energy: -0.283
local terms energy: -56.801467
where:
bonds (distance) C4'-P energy: -12.679
bonds (distance) P-C4' energy: -7.915
flat angles C4'-P-C4' energy: -12.909
flat angles P-C4'-P energy: -7.304
tors. eta vs tors. theta energy: -15.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -107.490672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.490672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.490672 (E_RNA)
where:
Base-Base interactions energy: -61.332
where: short stacking energy: -28.724
Base-Backbone interact. energy: -0.095
local terms energy: -46.063755
where:
bonds (distance) C4'-P energy: -12.142
bonds (distance) P-C4' energy: -14.029
flat angles C4'-P-C4' energy: -6.354
flat angles P-C4'-P energy: -8.734
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: 6, replica: 4
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -111.064568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.064568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.064568 (E_RNA)
where:
Base-Base interactions energy: -67.296
where: short stacking energy: -20.083
Base-Backbone interact. energy: 0.391
local terms energy: -44.159450
where:
bonds (distance) C4'-P energy: -10.648
bonds (distance) P-C4' energy: -13.539
flat angles C4'-P-C4' energy: -6.532
flat angles P-C4'-P energy: -10.709
tors. eta vs tors. theta energy: -2.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -65.224799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.224799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.224799 (E_RNA)
where:
Base-Base interactions energy: -19.731
where: short stacking energy: -17.226
Base-Backbone interact. energy: -0.531
local terms energy: -44.962809
where:
bonds (distance) C4'-P energy: -11.024
bonds (distance) P-C4' energy: -12.141
flat angles C4'-P-C4' energy: -10.632
flat angles P-C4'-P energy: -9.590
tors. eta vs tors. theta energy: -1.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -59.643350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.643350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.643350 (E_RNA)
where:
Base-Base interactions energy: -18.483
where: short stacking energy: -10.361
Base-Backbone interact. energy: -0.209
local terms energy: -40.951358
where:
bonds (distance) C4'-P energy: -12.511
bonds (distance) P-C4' energy: -11.172
flat angles C4'-P-C4' energy: -9.859
flat angles P-C4'-P energy: -6.958
tors. eta vs tors. theta energy: -0.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -73.036742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.036742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.036742 (E_RNA)
where:
Base-Base interactions energy: -33.552
where: short stacking energy: -15.374
Base-Backbone interact. energy: 1.581
local terms energy: -41.066288
where:
bonds (distance) C4'-P energy: -12.754
bonds (distance) P-C4' energy: -12.370
flat angles C4'-P-C4' energy: -10.167
flat angles P-C4'-P energy: -6.595
tors. eta vs tors. theta energy: 0.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -71.729896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.729896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.729896 (E_RNA)
where:
Base-Base interactions energy: -36.779
where: short stacking energy: -14.083
Base-Backbone interact. energy: -0.819
local terms energy: -34.131585
where:
bonds (distance) C4'-P energy: -14.111
bonds (distance) P-C4' energy: -8.950
flat angles C4'-P-C4' energy: -8.011
flat angles P-C4'-P energy: -4.585
tors. eta vs tors. theta energy: 1.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -184.863690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.863690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.863690 (E_RNA)
where:
Base-Base interactions energy: -119.619
where: short stacking energy: -49.497
Base-Backbone interact. energy: 0.239
local terms energy: -65.483701
where:
bonds (distance) C4'-P energy: -15.412
bonds (distance) P-C4' energy: -12.923
flat angles C4'-P-C4' energy: -11.863
flat angles P-C4'-P energy: -9.588
tors. eta vs tors. theta energy: -15.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -177.673041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.673041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.673041 (E_RNA)
where:
Base-Base interactions energy: -115.990
where: short stacking energy: -45.891
Base-Backbone interact. energy: -0.022
local terms energy: -61.661751
where:
bonds (distance) C4'-P energy: -13.524
bonds (distance) P-C4' energy: -12.245
flat angles C4'-P-C4' energy: -9.411
flat angles P-C4'-P energy: -9.566
tors. eta vs tors. theta energy: -16.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -179.769916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.769916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.769916 (E_RNA)
where:
Base-Base interactions energy: -118.641
where: short stacking energy: -47.484
Base-Backbone interact. energy: -0.007
local terms energy: -61.122026
where:
bonds (distance) C4'-P energy: -13.212
bonds (distance) P-C4' energy: -11.169
flat angles C4'-P-C4' energy: -12.801
flat angles P-C4'-P energy: -8.409
tors. eta vs tors. theta energy: -15.531
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: 3
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -159.616877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.616877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.616877 (E_RNA)
where:
Base-Base interactions energy: -104.666
where: short stacking energy: -39.532
Base-Backbone interact. energy: -0.098
local terms energy: -54.853661
where:
bonds (distance) C4'-P energy: -11.453
bonds (distance) P-C4' energy: -12.855
flat angles C4'-P-C4' energy: -10.682
flat angles P-C4'-P energy: -5.213
tors. eta vs tors. theta energy: -14.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -76.290513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.290513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.290513 (E_RNA)
where:
Base-Base interactions energy: -35.483
where: short stacking energy: -15.994
Base-Backbone interact. energy: -0.155
local terms energy: -40.653024
where:
bonds (distance) C4'-P energy: -8.842
bonds (distance) P-C4' energy: -8.836
flat angles C4'-P-C4' energy: -12.331
flat angles P-C4'-P energy: -9.185
tors. eta vs tors. theta energy: -1.459
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: 5
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -92.721379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.721379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.721379 (E_RNA)
where:
Base-Base interactions energy: -54.371
where: short stacking energy: -12.631
Base-Backbone interact. energy: 0.173
local terms energy: -38.523910
where:
bonds (distance) C4'-P energy: -8.503
bonds (distance) P-C4' energy: -9.809
flat angles C4'-P-C4' energy: -10.990
flat angles P-C4'-P energy: -1.759
tors. eta vs tors. theta energy: -7.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -81.912463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.912463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.912463 (E_RNA)
where:
Base-Base interactions energy: -39.552
where: short stacking energy: -18.102
Base-Backbone interact. energy: -0.216
local terms energy: -42.144178
where:
bonds (distance) C4'-P energy: -8.233
bonds (distance) P-C4' energy: -13.118
flat angles C4'-P-C4' energy: -6.913
flat angles P-C4'-P energy: -11.138
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: 8, replica: 9
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -70.428433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.428433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.428433 (E_RNA)
where:
Base-Base interactions energy: -32.765
where: short stacking energy: -8.697
Base-Backbone interact. energy: -0.823
local terms energy: -36.840457
where:
bonds (distance) C4'-P energy: -10.808
bonds (distance) P-C4' energy: -13.466
flat angles C4'-P-C4' energy: -10.988
flat angles P-C4'-P energy: -4.333
tors. eta vs tors. theta energy: 2.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -69.821939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.821939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.821939 (E_RNA)
where:
Base-Base interactions energy: -23.089
where: short stacking energy: -11.815
Base-Backbone interact. energy: -0.117
local terms energy: -46.616817
where:
bonds (distance) C4'-P energy: -9.806
bonds (distance) P-C4' energy: -8.680
flat angles C4'-P-C4' energy: -11.743
flat angles P-C4'-P energy: -11.187
tors. eta vs tors. theta energy: -5.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -59.782450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.782450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.782450 (E_RNA)
where:
Base-Base interactions energy: -26.737
where: short stacking energy: -15.037
Base-Backbone interact. energy: -0.276
local terms energy: -32.769458
where:
bonds (distance) C4'-P energy: -10.313
bonds (distance) P-C4' energy: -13.115
flat angles C4'-P-C4' energy: -7.551
flat angles P-C4'-P energy: -3.902
tors. eta vs tors. theta energy: 2.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -181.429871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.429871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.429871 (E_RNA)
where:
Base-Base interactions energy: -114.855
where: short stacking energy: -44.955
Base-Backbone interact. energy: -0.003
local terms energy: -66.571884
where:
bonds (distance) C4'-P energy: -11.400
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -12.824
flat angles P-C4'-P energy: -10.957
tors. eta vs tors. theta energy: -17.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -177.930344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.930344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.930344 (E_RNA)
where:
Base-Base interactions energy: -115.651
where: short stacking energy: -46.671
Base-Backbone interact. energy: -0.074
local terms energy: -62.205370
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -10.346
flat angles C4'-P-C4' energy: -12.544
flat angles P-C4'-P energy: -9.372
tors. eta vs tors. theta energy: -17.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -172.539669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.539669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.539669 (E_RNA)
where:
Base-Base interactions energy: -110.484
where: short stacking energy: -42.990
Base-Backbone interact. energy: -0.066
local terms energy: -61.990015
where:
bonds (distance) C4'-P energy: -12.162
bonds (distance) P-C4' energy: -13.448
flat angles C4'-P-C4' energy: -14.346
flat angles P-C4'-P energy: -7.643
tors. eta vs tors. theta energy: -14.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -179.850826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.850826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.850826 (E_RNA)
where:
Base-Base interactions energy: -122.027
where: short stacking energy: -40.608
Base-Backbone interact. energy: 0.009
local terms energy: -57.833415
where:
bonds (distance) C4'-P energy: -10.991
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -10.719
flat angles P-C4'-P energy: -11.412
tors. eta vs tors. theta energy: -10.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -98.000462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.000462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.000462 (E_RNA)
where:
Base-Base interactions energy: -47.718
where: short stacking energy: -18.271
Base-Backbone interact. energy: -0.068
local terms energy: -50.214370
where:
bonds (distance) C4'-P energy: -13.380
bonds (distance) P-C4' energy: -9.401
flat angles C4'-P-C4' energy: -14.572
flat angles P-C4'-P energy: -7.159
tors. eta vs tors. theta energy: -5.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -65.145035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.145035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.145035 (E_RNA)
where:
Base-Base interactions energy: -23.466
where: short stacking energy: -21.956
Base-Backbone interact. energy: 0.867
local terms energy: -42.546523
where:
bonds (distance) C4'-P energy: -8.084
bonds (distance) P-C4' energy: -12.405
flat angles C4'-P-C4' energy: -10.726
flat angles P-C4'-P energy: -7.939
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: 7, replica: 4
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -103.884982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.884982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.884982 (E_RNA)
where:
Base-Base interactions energy: -57.521
where: short stacking energy: -25.394
Base-Backbone interact. energy: -0.028
local terms energy: -46.336124
where:
bonds (distance) C4'-P energy: -10.846
bonds (distance) P-C4' energy: -11.071
flat angles C4'-P-C4' energy: -7.125
flat angles P-C4'-P energy: -8.470
tors. eta vs tors. theta energy: -8.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -69.138742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.138742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.138742 (E_RNA)
where:
Base-Base interactions energy: -26.498
where: short stacking energy: -14.477
Base-Backbone interact. energy: -0.146
local terms energy: -42.495260
where:
bonds (distance) C4'-P energy: -11.103
bonds (distance) P-C4' energy: -14.259
flat angles C4'-P-C4' energy: -12.117
flat angles P-C4'-P energy: -0.938
tors. eta vs tors. theta energy: -4.078
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: 10
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -56.235359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.235359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.235359 (E_RNA)
where:
Base-Base interactions energy: -17.406
where: short stacking energy: -14.595
Base-Backbone interact. energy: -0.335
local terms energy: -38.494381
where:
bonds (distance) C4'-P energy: -11.632
bonds (distance) P-C4' energy: -10.852
flat angles C4'-P-C4' energy: -12.474
flat angles P-C4'-P energy: -3.278
tors. eta vs tors. theta energy: -0.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -65.543756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.543756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.543756 (E_RNA)
where:
Base-Base interactions energy: -18.851
where: short stacking energy: -18.851
Base-Backbone interact. energy: -0.037
local terms energy: -46.655622
where:
bonds (distance) C4'-P energy: -7.827
bonds (distance) P-C4' energy: -13.564
flat angles C4'-P-C4' energy: -9.857
flat angles P-C4'-P energy: -10.406
tors. eta vs tors. theta energy: -5.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -173.155938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.155938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.155938 (E_RNA)
where:
Base-Base interactions energy: -107.888
where: short stacking energy: -44.579
Base-Backbone interact. energy: -0.006
local terms energy: -65.261995
where:
bonds (distance) C4'-P energy: -13.620
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -14.343
flat angles P-C4'-P energy: -9.103
tors. eta vs tors. theta energy: -14.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -171.718562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.718562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.718562 (E_RNA)
where:
Base-Base interactions energy: -109.885
where: short stacking energy: -44.967
Base-Backbone interact. energy: -0.851
local terms energy: -60.982254
where:
bonds (distance) C4'-P energy: -12.840
bonds (distance) P-C4' energy: -12.616
flat angles C4'-P-C4' energy: -12.665
flat angles P-C4'-P energy: -6.882
tors. eta vs tors. theta energy: -15.979
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: 3, replica: 6
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -170.338428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.338428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.338428 (E_RNA)
where:
Base-Base interactions energy: -108.505
where: short stacking energy: -44.892
Base-Backbone interact. energy: -0.097
local terms energy: -61.736855
where:
bonds (distance) C4'-P energy: -11.526
bonds (distance) P-C4' energy: -12.401
flat angles C4'-P-C4' energy: -11.903
flat angles P-C4'-P energy: -8.244
tors. eta vs tors. theta energy: -17.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -164.338711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.338711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.338711 (E_RNA)
where:
Base-Base interactions energy: -105.770
where: short stacking energy: -36.322
Base-Backbone interact. energy: -0.056
local terms energy: -58.512164
where:
bonds (distance) C4'-P energy: -9.910
bonds (distance) P-C4' energy: -11.942
flat angles C4'-P-C4' energy: -13.249
flat angles P-C4'-P energy: -8.265
tors. eta vs tors. theta energy: -15.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -74.821628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.821628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.821628 (E_RNA)
where:
Base-Base interactions energy: -37.573
where: short stacking energy: -20.069
Base-Backbone interact. energy: 2.420
local terms energy: -39.667890
where:
bonds (distance) C4'-P energy: -11.881
bonds (distance) P-C4' energy: -10.725
flat angles C4'-P-C4' energy: -9.565
flat angles P-C4'-P energy: -5.385
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: 6, replica: 4
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -75.177434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.177434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.177434 (E_RNA)
where:
Base-Base interactions energy: -37.933
where: short stacking energy: -15.257
Base-Backbone interact. energy: -0.463
local terms energy: -36.780615
where:
bonds (distance) C4'-P energy: -9.225
bonds (distance) P-C4' energy: -14.700
flat angles C4'-P-C4' energy: -7.516
flat angles P-C4'-P energy: -7.536
tors. eta vs tors. theta energy: 2.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -66.744877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.744877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.744877 (E_RNA)
where:
Base-Base interactions energy: -31.014
where: short stacking energy: -10.983
Base-Backbone interact. energy: -0.809
local terms energy: -34.922152
where:
bonds (distance) C4'-P energy: -9.777
bonds (distance) P-C4' energy: -15.147
flat angles C4'-P-C4' energy: -8.620
flat angles P-C4'-P energy: -6.872
tors. eta vs tors. theta energy: 5.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -63.058073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.058073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.058073 (E_RNA)
where:
Base-Base interactions energy: -20.641
where: short stacking energy: -20.641
Base-Backbone interact. energy: -0.077
local terms energy: -42.340377
where:
bonds (distance) C4'-P energy: -12.104
bonds (distance) P-C4' energy: -12.448
flat angles C4'-P-C4' energy: -7.587
flat angles P-C4'-P energy: -6.018
tors. eta vs tors. theta energy: -4.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -61.738874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.738874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.738874 (E_RNA)
where:
Base-Base interactions energy: -20.882
where: short stacking energy: -15.246
Base-Backbone interact. energy: -0.245
local terms energy: -40.611286
where:
bonds (distance) C4'-P energy: -12.990
bonds (distance) P-C4' energy: -11.347
flat angles C4'-P-C4' energy: -11.329
flat angles P-C4'-P energy: -3.158
tors. eta vs tors. theta energy: -1.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -54.893761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.893761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.893761 (E_RNA)
where:
Base-Base interactions energy: -20.300
where: short stacking energy: -20.300
Base-Backbone interact. energy: -0.119
local terms energy: -34.475015
where:
bonds (distance) C4'-P energy: -7.600
bonds (distance) P-C4' energy: -11.855
flat angles C4'-P-C4' energy: -5.590
flat angles P-C4'-P energy: -7.800
tors. eta vs tors. theta energy: -1.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -181.581233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.581233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.581233 (E_RNA)
where:
Base-Base interactions energy: -118.943
where: short stacking energy: -44.309
Base-Backbone interact. energy: -0.005
local terms energy: -62.632455
where:
bonds (distance) C4'-P energy: -11.284
bonds (distance) P-C4' energy: -11.865
flat angles C4'-P-C4' energy: -14.004
flat angles P-C4'-P energy: -8.394
tors. eta vs tors. theta energy: -17.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -182.682485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.682485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.682485 (E_RNA)
where:
Base-Base interactions energy: -118.950
where: short stacking energy: -49.922
Base-Backbone interact. energy: -0.013
local terms energy: -63.719587
where:
bonds (distance) C4'-P energy: -14.394
bonds (distance) P-C4' energy: -11.236
flat angles C4'-P-C4' energy: -13.547
flat angles P-C4'-P energy: -6.759
tors. eta vs tors. theta energy: -17.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -174.381970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.381970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.381970 (E_RNA)
where:
Base-Base interactions energy: -112.367
where: short stacking energy: -47.443
Base-Backbone interact. energy: -0.002
local terms energy: -62.012983
where:
bonds (distance) C4'-P energy: -12.468
bonds (distance) P-C4' energy: -12.923
flat angles C4'-P-C4' energy: -12.498
flat angles P-C4'-P energy: -8.796
tors. eta vs tors. theta energy: -15.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -172.946763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.946763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.946763 (E_RNA)
where:
Base-Base interactions energy: -111.757
where: short stacking energy: -49.850
Base-Backbone interact. energy: -0.671
local terms energy: -60.518629
where:
bonds (distance) C4'-P energy: -11.677
bonds (distance) P-C4' energy: -12.251
flat angles C4'-P-C4' energy: -13.198
flat angles P-C4'-P energy: -7.187
tors. eta vs tors. theta energy: -16.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -80.857155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.857155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.857155 (E_RNA)
where:
Base-Base interactions energy: -29.964
where: short stacking energy: -26.120
Base-Backbone interact. energy: -0.084
local terms energy: -50.809326
where:
bonds (distance) C4'-P energy: -14.501
bonds (distance) P-C4' energy: -11.132
flat angles C4'-P-C4' energy: -11.230
flat angles P-C4'-P energy: -7.913
tors. eta vs tors. theta energy: -6.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -66.722836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.722836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.722836 (E_RNA)
where:
Base-Base interactions energy: -29.336
where: short stacking energy: -8.523
Base-Backbone interact. energy: -0.904
local terms energy: -36.483379
where:
bonds (distance) C4'-P energy: -10.042
bonds (distance) P-C4' energy: -13.600
flat angles C4'-P-C4' energy: -7.505
flat angles P-C4'-P energy: -8.173
tors. eta vs tors. theta energy: 2.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -68.220566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.220566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.220566 (E_RNA)
where:
Base-Base interactions energy: -24.987
where: short stacking energy: -12.654
Base-Backbone interact. energy: -1.238
local terms energy: -41.995673
where:
bonds (distance) C4'-P energy: -12.490
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -8.481
flat angles P-C4'-P energy: -6.470
tors. eta vs tors. theta energy: -0.407
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: 10
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -62.388334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.388334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.388334 (E_RNA)
where:
Base-Base interactions energy: -20.716
where: short stacking energy: -20.716
Base-Backbone interact. energy: -0.183
local terms energy: -41.490175
where:
bonds (distance) C4'-P energy: -11.019
bonds (distance) P-C4' energy: -11.789
flat angles C4'-P-C4' energy: -11.750
flat angles P-C4'-P energy: -6.449
tors. eta vs tors. theta energy: -0.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -65.994719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.994719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.994719 (E_RNA)
where:
Base-Base interactions energy: -27.173
where: short stacking energy: -15.446
Base-Backbone interact. energy: -1.319
local terms energy: -37.502714
where:
bonds (distance) C4'-P energy: -8.770
bonds (distance) P-C4' energy: -11.641
flat angles C4'-P-C4' energy: -12.883
flat angles P-C4'-P energy: -2.159
tors. eta vs tors. theta energy: -2.050
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: 9
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -55.840363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.840363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.840363 (E_RNA)
where:
Base-Base interactions energy: -23.094
where: short stacking energy: -16.417
Base-Backbone interact. energy: -0.188
local terms energy: -32.558558
where:
bonds (distance) C4'-P energy: -4.331
bonds (distance) P-C4' energy: -8.498
flat angles C4'-P-C4' energy: -11.003
flat angles P-C4'-P energy: -6.661
tors. eta vs tors. theta energy: -2.067
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: 3
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -186.239039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.239039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.239039 (E_RNA)
where:
Base-Base interactions energy: -122.355
where: short stacking energy: -51.164
Base-Backbone interact. energy: -0.039
local terms energy: -63.844701
where:
bonds (distance) C4'-P energy: -12.468
bonds (distance) P-C4' energy: -11.269
flat angles C4'-P-C4' energy: -14.723
flat angles P-C4'-P energy: -8.780
tors. eta vs tors. theta energy: -16.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -183.429224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.429224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.429224 (E_RNA)
where:
Base-Base interactions energy: -121.936
where: short stacking energy: -43.408
Base-Backbone interact. energy: -0.072
local terms energy: -61.420735
where:
bonds (distance) C4'-P energy: -9.371
bonds (distance) P-C4' energy: -15.277
flat angles C4'-P-C4' energy: -12.995
flat angles P-C4'-P energy: -7.122
tors. eta vs tors. theta energy: -16.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -179.056579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.056579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.056579 (E_RNA)
where:
Base-Base interactions energy: -119.182
where: short stacking energy: -46.517
Base-Backbone interact. energy: 0.014
local terms energy: -59.887943
where:
bonds (distance) C4'-P energy: -11.230
bonds (distance) P-C4' energy: -12.728
flat angles C4'-P-C4' energy: -8.724
flat angles P-C4'-P energy: -9.884
tors. eta vs tors. theta energy: -17.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -178.531864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.531864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.531864 (E_RNA)
where:
Base-Base interactions energy: -115.315
where: short stacking energy: -47.525
Base-Backbone interact. energy: -0.005
local terms energy: -63.211778
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -9.995
flat angles P-C4'-P energy: -8.921
tors. eta vs tors. theta energy: -16.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -82.755259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.755259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.755259 (E_RNA)
where:
Base-Base interactions energy: -39.917
where: short stacking energy: -16.140
Base-Backbone interact. energy: -0.516
local terms energy: -42.322391
where:
bonds (distance) C4'-P energy: -10.180
bonds (distance) P-C4' energy: -10.953
flat angles C4'-P-C4' energy: -10.614
flat angles P-C4'-P energy: -9.150
tors. eta vs tors. theta energy: -1.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -75.896972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.896972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.896972 (E_RNA)
where:
Base-Base interactions energy: -29.982
where: short stacking energy: -13.670
Base-Backbone interact. energy: -0.412
local terms energy: -45.502673
where:
bonds (distance) C4'-P energy: -9.733
bonds (distance) P-C4' energy: -12.707
flat angles C4'-P-C4' energy: -9.365
flat angles P-C4'-P energy: -8.518
tors. eta vs tors. theta energy: -5.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -69.927635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.927635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.927635 (E_RNA)
where:
Base-Base interactions energy: -23.338
where: short stacking energy: -16.805
Base-Backbone interact. energy: -0.432
local terms energy: -46.157701
where:
bonds (distance) C4'-P energy: -12.088
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -10.997
flat angles P-C4'-P energy: -6.644
tors. eta vs tors. theta energy: -2.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -66.738703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.738703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.738703 (E_RNA)
where:
Base-Base interactions energy: -25.884
where: short stacking energy: -6.041
Base-Backbone interact. energy: 0.493
local terms energy: -41.347281
where:
bonds (distance) C4'-P energy: -9.158
bonds (distance) P-C4' energy: -12.951
flat angles C4'-P-C4' energy: -13.334
flat angles P-C4'-P energy: -6.453
tors. eta vs tors. theta energy: 0.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -64.033836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.033836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.033836 (E_RNA)
where:
Base-Base interactions energy: -26.916
where: short stacking energy: -12.409
Base-Backbone interact. energy: -0.005
local terms energy: -37.112964
where:
bonds (distance) C4'-P energy: -9.537
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -8.756
flat angles P-C4'-P energy: -0.602
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: 9
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -57.100966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.100966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.100966 (E_RNA)
where:
Base-Base interactions energy: -11.380
where: short stacking energy: -10.238
Base-Backbone interact. energy: -0.078
local terms energy: -45.642777
where:
bonds (distance) C4'-P energy: -13.028
bonds (distance) P-C4' energy: -14.019
flat angles C4'-P-C4' energy: -8.085
flat angles P-C4'-P energy: -9.828
tors. eta vs tors. theta energy: -0.683
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: 1, replica: 3
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -186.837957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.837957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.837957 (E_RNA)
where:
Base-Base interactions energy: -121.784
where: short stacking energy: -49.547
Base-Backbone interact. energy: -0.006
local terms energy: -65.047291
where:
bonds (distance) C4'-P energy: -13.346
bonds (distance) P-C4' energy: -12.871
flat angles C4'-P-C4' energy: -12.383
flat angles P-C4'-P energy: -8.029
tors. eta vs tors. theta energy: -18.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -177.956669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.956669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.956669 (E_RNA)
where:
Base-Base interactions energy: -115.222
where: short stacking energy: -44.576
Base-Backbone interact. energy: -0.841
local terms energy: -61.893145
where:
bonds (distance) C4'-P energy: -12.121
bonds (distance) P-C4' energy: -11.703
flat angles C4'-P-C4' energy: -11.849
flat angles P-C4'-P energy: -10.607
tors. eta vs tors. theta energy: -15.613
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: 3, replica: 6
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -175.319734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.319734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.319734 (E_RNA)
where:
Base-Base interactions energy: -112.205
where: short stacking energy: -48.242
Base-Backbone interact. energy: -0.000
local terms energy: -63.114742
where:
bonds (distance) C4'-P energy: -9.981
bonds (distance) P-C4' energy: -12.462
flat angles C4'-P-C4' energy: -14.102
flat angles P-C4'-P energy: -8.532
tors. eta vs tors. theta energy: -18.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -174.912348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.912348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.912348 (E_RNA)
where:
Base-Base interactions energy: -115.312
where: short stacking energy: -49.665
Base-Backbone interact. energy: -0.000
local terms energy: -59.600233
where:
bonds (distance) C4'-P energy: -12.509
bonds (distance) P-C4' energy: -14.128
flat angles C4'-P-C4' energy: -12.115
flat angles P-C4'-P energy: -4.825
tors. eta vs tors. theta energy: -16.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -97.373679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.373679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.373679 (E_RNA)
where:
Base-Base interactions energy: -57.005
where: short stacking energy: -26.445
Base-Backbone interact. energy: 1.303
local terms energy: -41.670825
where:
bonds (distance) C4'-P energy: -10.708
bonds (distance) P-C4' energy: -8.796
flat angles C4'-P-C4' energy: -12.603
flat angles P-C4'-P energy: -3.104
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: 6, replica: 5
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -76.486843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.486843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.486843 (E_RNA)
where:
Base-Base interactions energy: -36.413
where: short stacking energy: -19.367
Base-Backbone interact. energy: -0.249
local terms energy: -39.824491
where:
bonds (distance) C4'-P energy: -11.127
bonds (distance) P-C4' energy: -11.005
flat angles C4'-P-C4' energy: -5.126
flat angles P-C4'-P energy: -8.796
tors. eta vs tors. theta energy: -3.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -63.829237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.829237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.829237 (E_RNA)
where:
Base-Base interactions energy: -24.281
where: short stacking energy: -14.343
Base-Backbone interact. energy: -0.145
local terms energy: -39.403442
where:
bonds (distance) C4'-P energy: -8.631
bonds (distance) P-C4' energy: -12.145
flat angles C4'-P-C4' energy: -7.196
flat angles P-C4'-P energy: -9.515
tors. eta vs tors. theta energy: -1.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -61.574398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.574398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.574398 (E_RNA)
where:
Base-Base interactions energy: -15.001
where: short stacking energy: -15.001
Base-Backbone interact. energy: -0.023
local terms energy: -46.550676
where:
bonds (distance) C4'-P energy: -11.616
bonds (distance) P-C4' energy: -13.604
flat angles C4'-P-C4' energy: -9.753
flat angles P-C4'-P energy: -5.918
tors. eta vs tors. theta energy: -5.661
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: 10
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -70.766802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.766802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.766802 (E_RNA)
where:
Base-Base interactions energy: -26.681
where: short stacking energy: -9.135
Base-Backbone interact. energy: -0.320
local terms energy: -43.766088
where:
bonds (distance) C4'-P energy: -8.643
bonds (distance) P-C4' energy: -13.100
flat angles C4'-P-C4' energy: -14.066
flat angles P-C4'-P energy: -8.385
tors. eta vs tors. theta energy: 0.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -58.285884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.285884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.285884 (E_RNA)
where:
Base-Base interactions energy: -13.012
where: short stacking energy: -10.047
Base-Backbone interact. energy: -0.019
local terms energy: -45.254548
where:
bonds (distance) C4'-P energy: -13.313
bonds (distance) P-C4' energy: -11.556
flat angles C4'-P-C4' energy: -11.131
flat angles P-C4'-P energy: -6.029
tors. eta vs tors. theta energy: -3.225
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: 3
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -181.586005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.586005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.586005 (E_RNA)
where:
Base-Base interactions energy: -118.574
where: short stacking energy: -49.858
Base-Backbone interact. energy: -0.873
local terms energy: -62.138684
where:
bonds (distance) C4'-P energy: -12.014
bonds (distance) P-C4' energy: -11.501
flat angles C4'-P-C4' energy: -12.864
flat angles P-C4'-P energy: -9.241
tors. eta vs tors. theta energy: -16.519
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: 253
Temperature: 0.950000
Total energy: -178.240556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.240556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.240556 (E_RNA)
where:
Base-Base interactions energy: -116.878
where: short stacking energy: -47.147
Base-Backbone interact. energy: -0.062
local terms energy: -61.301412
where:
bonds (distance) C4'-P energy: -10.684
bonds (distance) P-C4' energy: -13.073
flat angles C4'-P-C4' energy: -10.968
flat angles P-C4'-P energy: -8.749
tors. eta vs tors. theta energy: -17.827
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: 3, replica: 6
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -166.900268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.900268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.900268 (E_RNA)
where:
Base-Base interactions energy: -107.119
where: short stacking energy: -41.330
Base-Backbone interact. energy: -0.028
local terms energy: -59.753985
where:
bonds (distance) C4'-P energy: -11.000
bonds (distance) P-C4' energy: -11.631
flat angles C4'-P-C4' energy: -12.609
flat angles P-C4'-P energy: -10.065
tors. eta vs tors. theta energy: -14.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -168.987774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.987774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.987774 (E_RNA)
where:
Base-Base interactions energy: -110.967
where: short stacking energy: -41.993
Base-Backbone interact. energy: -0.175
local terms energy: -57.845842
where:
bonds (distance) C4'-P energy: -10.228
bonds (distance) P-C4' energy: -11.098
flat angles C4'-P-C4' energy: -10.433
flat angles P-C4'-P energy: -11.381
tors. eta vs tors. theta energy: -14.706
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: 4
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -121.107820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.107820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.107820 (E_RNA)
where:
Base-Base interactions energy: -70.658
where: short stacking energy: -27.683
Base-Backbone interact. energy: -0.089
local terms energy: -50.361080
where:
bonds (distance) C4'-P energy: -9.475
bonds (distance) P-C4' energy: -11.749
flat angles C4'-P-C4' energy: -12.144
flat angles P-C4'-P energy: -8.624
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: 8
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -86.087037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.087037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.087037 (E_RNA)
where:
Base-Base interactions energy: -44.531
where: short stacking energy: -23.275
Base-Backbone interact. energy: -0.655
local terms energy: -40.901145
where:
bonds (distance) C4'-P energy: -9.273
bonds (distance) P-C4' energy: -12.699
flat angles C4'-P-C4' energy: -10.480
flat angles P-C4'-P energy: -5.217
tors. eta vs tors. theta energy: -3.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -56.268887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.268887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.268887 (E_RNA)
where:
Base-Base interactions energy: -15.934
where: short stacking energy: -14.678
Base-Backbone interact. energy: -0.292
local terms energy: -40.043115
where:
bonds (distance) C4'-P energy: -12.729
bonds (distance) P-C4' energy: -13.239
flat angles C4'-P-C4' energy: -11.410
flat angles P-C4'-P energy: -1.731
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: 8, replica: 10
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -72.233138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.233138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.233138 (E_RNA)
where:
Base-Base interactions energy: -44.068
where: short stacking energy: -19.732
Base-Backbone interact. energy: -0.372
local terms energy: -27.792579
where:
bonds (distance) C4'-P energy: -9.876
bonds (distance) P-C4' energy: -10.280
flat angles C4'-P-C4' energy: -8.082
flat angles P-C4'-P energy: -0.343
tors. eta vs tors. theta energy: 0.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -59.108603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.108603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.108603 (E_RNA)
where:
Base-Base interactions energy: -10.064
where: short stacking energy: -10.064
Base-Backbone interact. energy: -0.022
local terms energy: -49.023289
where:
bonds (distance) C4'-P energy: -11.790
bonds (distance) P-C4' energy: -13.733
flat angles C4'-P-C4' energy: -8.855
flat angles P-C4'-P energy: -11.596
tors. eta vs tors. theta energy: -3.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -56.853056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.853056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.853056 (E_RNA)
where:
Base-Base interactions energy: -14.799
where: short stacking energy: -14.799
Base-Backbone interact. energy: -0.422
local terms energy: -41.631916
where:
bonds (distance) C4'-P energy: -13.442
bonds (distance) P-C4' energy: -11.772
flat angles C4'-P-C4' energy: -6.457
flat angles P-C4'-P energy: -9.924
tors. eta vs tors. theta energy: -0.037
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: 1
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -180.016602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.016602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.016602 (E_RNA)
where:
Base-Base interactions energy: -124.837
where: short stacking energy: -43.487
Base-Backbone interact. energy: 0.204
local terms energy: -55.383637
where:
bonds (distance) C4'-P energy: -10.626
bonds (distance) P-C4' energy: -12.564
flat angles C4'-P-C4' energy: -9.607
flat angles P-C4'-P energy: -7.974
tors. eta vs tors. theta energy: -14.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -184.582781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.582781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.582781 (E_RNA)
where:
Base-Base interactions energy: -114.118
where: short stacking energy: -47.466
Base-Backbone interact. energy: -0.319
local terms energy: -70.145790
where:
bonds (distance) C4'-P energy: -13.842
bonds (distance) P-C4' energy: -14.886
flat angles C4'-P-C4' energy: -14.507
flat angles P-C4'-P energy: -8.932
tors. eta vs tors. theta energy: -17.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -180.704891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.704891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.704891 (E_RNA)
where:
Base-Base interactions energy: -117.395
where: short stacking energy: -49.582
Base-Backbone interact. energy: -0.638
local terms energy: -62.672378
where:
bonds (distance) C4'-P energy: -9.848
bonds (distance) P-C4' energy: -9.999
flat angles C4'-P-C4' energy: -14.563
flat angles P-C4'-P energy: -12.182
tors. eta vs tors. theta energy: -16.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -170.476766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.476766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.476766 (E_RNA)
where:
Base-Base interactions energy: -112.589
where: short stacking energy: -44.627
Base-Backbone interact. energy: -0.011
local terms energy: -57.876865
where:
bonds (distance) C4'-P energy: -8.701
bonds (distance) P-C4' energy: -13.491
flat angles C4'-P-C4' energy: -12.758
flat angles P-C4'-P energy: -7.368
tors. eta vs tors. theta energy: -15.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -108.902535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.902535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.902535 (E_RNA)
where:
Base-Base interactions energy: -55.431
where: short stacking energy: -26.519
Base-Backbone interact. energy: -0.193
local terms energy: -53.278225
where:
bonds (distance) C4'-P energy: -11.404
bonds (distance) P-C4' energy: -8.865
flat angles C4'-P-C4' energy: -12.081
flat angles P-C4'-P energy: -8.456
tors. eta vs tors. theta energy: -12.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -73.863453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.863453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.863453 (E_RNA)
where:
Base-Base interactions energy: -21.833
where: short stacking energy: -16.445
Base-Backbone interact. energy: -0.048
local terms energy: -51.982462
where:
bonds (distance) C4'-P energy: -14.642
bonds (distance) P-C4' energy: -15.358
flat angles C4'-P-C4' energy: -13.710
flat angles P-C4'-P energy: -9.444
tors. eta vs tors. theta energy: 1.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -75.946495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.946495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.946495 (E_RNA)
where:
Base-Base interactions energy: -34.240
where: short stacking energy: -23.656
Base-Backbone interact. energy: -0.297
local terms energy: -41.410397
where:
bonds (distance) C4'-P energy: -11.624
bonds (distance) P-C4' energy: -13.377
flat angles C4'-P-C4' energy: -7.779
flat angles P-C4'-P energy: -5.908
tors. eta vs tors. theta energy: -2.723
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: 8, replica: 5
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -60.696530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.696530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.696530 (E_RNA)
where:
Base-Base interactions energy: -23.418
where: short stacking energy: -14.010
Base-Backbone interact. energy: -1.061
local terms energy: -36.217942
where:
bonds (distance) C4'-P energy: -10.390
bonds (distance) P-C4' energy: -12.105
flat angles C4'-P-C4' energy: -7.673
flat angles P-C4'-P energy: -6.224
tors. eta vs tors. theta energy: 0.175
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: 9
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -63.698483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.698483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.698483 (E_RNA)
where:
Base-Base interactions energy: -19.096
where: short stacking energy: -17.492
Base-Backbone interact. energy: -0.128
local terms energy: -44.475203
where:
bonds (distance) C4'-P energy: -11.818
bonds (distance) P-C4' energy: -10.834
flat angles C4'-P-C4' energy: -8.883
flat angles P-C4'-P energy: -8.392
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: 10, replica: 2
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -59.156074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.156074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.156074 (E_RNA)
where:
Base-Base interactions energy: -17.100
where: short stacking energy: -15.600
Base-Backbone interact. energy: 0.814
local terms energy: -42.869952
where:
bonds (distance) C4'-P energy: -10.556
bonds (distance) P-C4' energy: -13.589
flat angles C4'-P-C4' energy: -10.975
flat angles P-C4'-P energy: -8.502
tors. eta vs tors. theta energy: 0.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -178.986034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.986034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.986034 (E_RNA)
where:
Base-Base interactions energy: -114.880
where: short stacking energy: -45.540
Base-Backbone interact. energy: -0.054
local terms energy: -64.051116
where:
bonds (distance) C4'-P energy: -13.064
bonds (distance) P-C4' energy: -13.025
flat angles C4'-P-C4' energy: -13.247
flat angles P-C4'-P energy: -9.261
tors. eta vs tors. theta energy: -15.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -178.331745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.331745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.331745 (E_RNA)
where:
Base-Base interactions energy: -115.850
where: short stacking energy: -46.485
Base-Backbone interact. energy: -0.015
local terms energy: -62.466208
where:
bonds (distance) C4'-P energy: -12.137
bonds (distance) P-C4' energy: -13.046
flat angles C4'-P-C4' energy: -11.724
flat angles P-C4'-P energy: -9.366
tors. eta vs tors. theta energy: -16.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -177.386866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.386866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.386866 (E_RNA)
where:
Base-Base interactions energy: -121.200
where: short stacking energy: -42.880
Base-Backbone interact. energy: -0.020
local terms energy: -56.166403
where:
bonds (distance) C4'-P energy: -12.245
bonds (distance) P-C4' energy: -12.426
flat angles C4'-P-C4' energy: -10.229
flat angles P-C4'-P energy: -7.468
tors. eta vs tors. theta energy: -13.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -160.397595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.397595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.397595 (E_RNA)
where:
Base-Base interactions energy: -106.387
where: short stacking energy: -36.231
Base-Backbone interact. energy: -0.167
local terms energy: -53.843732
where:
bonds (distance) C4'-P energy: -12.588
bonds (distance) P-C4' energy: -11.200
flat angles C4'-P-C4' energy: -9.616
flat angles P-C4'-P energy: -6.212
tors. eta vs tors. theta energy: -14.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -146.774948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.774948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.774948 (E_RNA)
where:
Base-Base interactions energy: -96.870
where: short stacking energy: -35.025
Base-Backbone interact. energy: 0.550
local terms energy: -50.455341
where:
bonds (distance) C4'-P energy: -10.452
bonds (distance) P-C4' energy: -11.142
flat angles C4'-P-C4' energy: -10.714
flat angles P-C4'-P energy: -5.321
tors. eta vs tors. theta energy: -12.827
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: 10
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -76.484887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.484887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.484887 (E_RNA)
where:
Base-Base interactions energy: -33.636
where: short stacking energy: -14.482
Base-Backbone interact. energy: -0.156
local terms energy: -42.692478
where:
bonds (distance) C4'-P energy: -10.867
bonds (distance) P-C4' energy: -10.345
flat angles C4'-P-C4' energy: -11.068
flat angles P-C4'-P energy: -8.185
tors. eta vs tors. theta energy: -2.227
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: 7, replica: 4
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -70.568141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.568141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.568141 (E_RNA)
where:
Base-Base interactions energy: -28.362
where: short stacking energy: -21.163
Base-Backbone interact. energy: 0.043
local terms energy: -42.248800
where:
bonds (distance) C4'-P energy: -11.218
bonds (distance) P-C4' energy: -12.184
flat angles C4'-P-C4' energy: -12.109
flat angles P-C4'-P energy: -1.734
tors. eta vs tors. theta energy: -5.005
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: 5
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -63.478355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.478355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.478355 (E_RNA)
where:
Base-Base interactions energy: -20.382
where: short stacking energy: -20.005
Base-Backbone interact. energy: -0.048
local terms energy: -43.047997
where:
bonds (distance) C4'-P energy: -12.228
bonds (distance) P-C4' energy: -11.554
flat angles C4'-P-C4' energy: -10.716
flat angles P-C4'-P energy: -6.122
tors. eta vs tors. theta energy: -2.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -63.819852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.819852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.819852 (E_RNA)
where:
Base-Base interactions energy: -27.083
where: short stacking energy: -9.810
Base-Backbone interact. energy: -0.140
local terms energy: -36.596496
where:
bonds (distance) C4'-P energy: -10.986
bonds (distance) P-C4' energy: -11.267
flat angles C4'-P-C4' energy: -9.107
flat angles P-C4'-P energy: -7.070
tors. eta vs tors. theta energy: 1.833
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: 2
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -57.233574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.233574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.233574 (E_RNA)
where:
Base-Base interactions energy: -12.333
where: short stacking energy: -12.333
Base-Backbone interact. energy: -0.108
local terms energy: -44.793082
where:
bonds (distance) C4'-P energy: -11.967
bonds (distance) P-C4' energy: -13.963
flat angles C4'-P-C4' energy: -7.885
flat angles P-C4'-P energy: -8.070
tors. eta vs tors. theta energy: -2.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -179.759978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.759978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.759978 (E_RNA)
where:
Base-Base interactions energy: -115.691
where: short stacking energy: -50.681
Base-Backbone interact. energy: -0.051
local terms energy: -64.017821
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -13.447
flat angles C4'-P-C4' energy: -10.430
flat angles P-C4'-P energy: -7.723
tors. eta vs tors. theta energy: -17.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -182.203690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.203690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.203690 (E_RNA)
where:
Base-Base interactions energy: -116.540
where: short stacking energy: -50.379
Base-Backbone interact. energy: -0.005
local terms energy: -65.658594
where:
bonds (distance) C4'-P energy: -12.297
bonds (distance) P-C4' energy: -11.451
flat angles C4'-P-C4' energy: -13.543
flat angles P-C4'-P energy: -10.313
tors. eta vs tors. theta energy: -18.054
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: 6
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -174.980420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.980420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.980420 (E_RNA)
where:
Base-Base interactions energy: -110.746
where: short stacking energy: -45.587
Base-Backbone interact. energy: -0.074
local terms energy: -64.160611
where:
bonds (distance) C4'-P energy: -12.323
bonds (distance) P-C4' energy: -13.613
flat angles C4'-P-C4' energy: -13.668
flat angles P-C4'-P energy: -7.975
tors. eta vs tors. theta energy: -16.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -174.681473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.681473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.681473 (E_RNA)
where:
Base-Base interactions energy: -107.173
where: short stacking energy: -38.683
Base-Backbone interact. energy: -0.006
local terms energy: -67.502069
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -13.470
flat angles P-C4'-P energy: -9.949
tors. eta vs tors. theta energy: -16.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -167.484946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.484946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.484946 (E_RNA)
where:
Base-Base interactions energy: -109.198
where: short stacking energy: -43.531
Base-Backbone interact. energy: -0.001
local terms energy: -58.286013
where:
bonds (distance) C4'-P energy: -6.676
bonds (distance) P-C4' energy: -13.702
flat angles C4'-P-C4' energy: -13.188
flat angles P-C4'-P energy: -8.095
tors. eta vs tors. theta energy: -16.625
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: 10
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -70.549152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.549152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.549152 (E_RNA)
where:
Base-Base interactions energy: -28.126
where: short stacking energy: -20.250
Base-Backbone interact. energy: -0.230
local terms energy: -42.192539
where:
bonds (distance) C4'-P energy: -9.222
bonds (distance) P-C4' energy: -14.336
flat angles C4'-P-C4' energy: -12.480
flat angles P-C4'-P energy: -5.742
tors. eta vs tors. theta energy: -0.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -65.397709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.397709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.397709 (E_RNA)
where:
Base-Base interactions energy: -19.474
where: short stacking energy: -19.060
Base-Backbone interact. energy: -0.006
local terms energy: -45.918521
where:
bonds (distance) C4'-P energy: -12.927
bonds (distance) P-C4' energy: -13.616
flat angles C4'-P-C4' energy: -9.581
flat angles P-C4'-P energy: -7.582
tors. eta vs tors. theta energy: -2.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -81.966003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.966003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.966003 (E_RNA)
where:
Base-Base interactions energy: -42.416
where: short stacking energy: -19.085
Base-Backbone interact. energy: -0.004
local terms energy: -39.546290
where:
bonds (distance) C4'-P energy: -11.082
bonds (distance) P-C4' energy: -13.307
flat angles C4'-P-C4' energy: -9.448
flat angles P-C4'-P energy: -4.653
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: 9, replica: 2
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -54.852419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.852419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.852419 (E_RNA)
where:
Base-Base interactions energy: -14.293
where: short stacking energy: -13.885
Base-Backbone interact. energy: -0.196
local terms energy: -40.363475
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -9.574
flat angles C4'-P-C4' energy: -9.311
flat angles P-C4'-P energy: -6.181
tors. eta vs tors. theta energy: -1.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -61.991650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.991650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.991650 (E_RNA)
where:
Base-Base interactions energy: -25.059
where: short stacking energy: -13.379
Base-Backbone interact. energy: -1.288
local terms energy: -35.644835
where:
bonds (distance) C4'-P energy: -6.986
bonds (distance) P-C4' energy: -11.590
flat angles C4'-P-C4' energy: -11.062
flat angles P-C4'-P energy: -5.222
tors. eta vs tors. theta energy: -0.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -181.654868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.654868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.654868 (E_RNA)
where:
Base-Base interactions energy: -118.305
where: short stacking energy: -42.694
Base-Backbone interact. energy: -0.247
local terms energy: -63.103169
where:
bonds (distance) C4'-P energy: -12.547
bonds (distance) P-C4' energy: -12.539
flat angles C4'-P-C4' energy: -13.837
flat angles P-C4'-P energy: -7.238
tors. eta vs tors. theta energy: -16.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -172.944162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.944162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.944162 (E_RNA)
where:
Base-Base interactions energy: -110.031
where: short stacking energy: -41.061
Base-Backbone interact. energy: -0.033
local terms energy: -62.880359
where:
bonds (distance) C4'-P energy: -10.805
bonds (distance) P-C4' energy: -12.694
flat angles C4'-P-C4' energy: -12.629
flat angles P-C4'-P energy: -10.071
tors. eta vs tors. theta energy: -16.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -172.963861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.963861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.963861 (E_RNA)
where:
Base-Base interactions energy: -117.913
where: short stacking energy: -44.866
Base-Backbone interact. energy: -0.534
local terms energy: -54.517273
where:
bonds (distance) C4'-P energy: -8.680
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -12.791
flat angles P-C4'-P energy: -5.818
tors. eta vs tors. theta energy: -14.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -167.067002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.067002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.067002 (E_RNA)
where:
Base-Base interactions energy: -108.363
where: short stacking energy: -38.422
Base-Backbone interact. energy: -0.922
local terms energy: -57.782027
where:
bonds (distance) C4'-P energy: -9.749
bonds (distance) P-C4' energy: -10.158
flat angles C4'-P-C4' energy: -11.210
flat angles P-C4'-P energy: -9.526
tors. eta vs tors. theta energy: -17.139
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: 5, replica: 3
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -165.966641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.966641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.966641 (E_RNA)
where:
Base-Base interactions energy: -106.122
where: short stacking energy: -43.248
Base-Backbone interact. energy: -0.011
local terms energy: -59.834213
where:
bonds (distance) C4'-P energy: -11.152
bonds (distance) P-C4' energy: -11.996
flat angles C4'-P-C4' energy: -13.976
flat angles P-C4'-P energy: -8.056
tors. eta vs tors. theta energy: -14.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -70.503024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.503024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.503024 (E_RNA)
where:
Base-Base interactions energy: -30.284
where: short stacking energy: -17.804
Base-Backbone interact. energy: 0.262
local terms energy: -40.481177
where:
bonds (distance) C4'-P energy: -9.586
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -9.019
flat angles P-C4'-P energy: -5.663
tors. eta vs tors. theta energy: -2.057
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: 10
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -81.481923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.481923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.481923 (E_RNA)
where:
Base-Base interactions energy: -43.187
where: short stacking energy: -6.817
Base-Backbone interact. energy: 0.038
local terms energy: -38.332802
where:
bonds (distance) C4'-P energy: -11.707
bonds (distance) P-C4' energy: -12.207
flat angles C4'-P-C4' energy: -9.535
flat angles P-C4'-P energy: -6.512
tors. eta vs tors. theta energy: 1.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -65.319519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.319519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.319519 (E_RNA)
where:
Base-Base interactions energy: -23.067
where: short stacking energy: -18.218
Base-Backbone interact. energy: -0.227
local terms energy: -42.025203
where:
bonds (distance) C4'-P energy: -11.235
bonds (distance) P-C4' energy: -12.479
flat angles C4'-P-C4' energy: -11.529
flat angles P-C4'-P energy: -7.743
tors. eta vs tors. theta energy: 0.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -56.166828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.166828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.166828 (E_RNA)
where:
Base-Base interactions energy: -25.796
where: short stacking energy: -20.975
Base-Backbone interact. energy: 3.966
local terms energy: -34.336935
where:
bonds (distance) C4'-P energy: -11.912
bonds (distance) P-C4' energy: -10.037
flat angles C4'-P-C4' energy: -9.091
flat angles P-C4'-P energy: -5.158
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: 9
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -63.817454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.817454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.817454 (E_RNA)
where:
Base-Base interactions energy: -26.271
where: short stacking energy: -12.439
Base-Backbone interact. energy: -0.296
local terms energy: -37.250240
where:
bonds (distance) C4'-P energy: -7.816
bonds (distance) P-C4' energy: -14.023
flat angles C4'-P-C4' energy: -10.223
flat angles P-C4'-P energy: -4.957
tors. eta vs tors. theta energy: -0.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -180.500235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.500235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.500235 (E_RNA)
where:
Base-Base interactions energy: -120.290
where: short stacking energy: -50.093
Base-Backbone interact. energy: -0.075
local terms energy: -60.134439
where:
bonds (distance) C4'-P energy: -9.400
bonds (distance) P-C4' energy: -11.324
flat angles C4'-P-C4' energy: -15.378
flat angles P-C4'-P energy: -7.469
tors. eta vs tors. theta energy: -16.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -177.521096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.521096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.521096 (E_RNA)
where:
Base-Base interactions energy: -114.413
where: short stacking energy: -43.694
Base-Backbone interact. energy: -0.060
local terms energy: -63.048466
where:
bonds (distance) C4'-P energy: -14.261
bonds (distance) P-C4' energy: -11.337
flat angles C4'-P-C4' energy: -13.708
flat angles P-C4'-P energy: -7.038
tors. eta vs tors. theta energy: -16.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -178.194389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.194389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.194389 (E_RNA)
where:
Base-Base interactions energy: -121.398
where: short stacking energy: -49.238
Base-Backbone interact. energy: -0.006
local terms energy: -56.790611
where:
bonds (distance) C4'-P energy: -11.818
bonds (distance) P-C4' energy: -10.842
flat angles C4'-P-C4' energy: -9.610
flat angles P-C4'-P energy: -8.159
tors. eta vs tors. theta energy: -16.363
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: 8
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -164.513593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.513593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.513593 (E_RNA)
where:
Base-Base interactions energy: -108.341
where: short stacking energy: -40.822
Base-Backbone interact. energy: 0.524
local terms energy: -56.697266
where:
bonds (distance) C4'-P energy: -9.082
bonds (distance) P-C4' energy: -13.812
flat angles C4'-P-C4' energy: -12.340
flat angles P-C4'-P energy: -5.472
tors. eta vs tors. theta energy: -15.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -166.545597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.545597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.545597 (E_RNA)
where:
Base-Base interactions energy: -107.980
where: short stacking energy: -39.628
Base-Backbone interact. energy: -0.183
local terms energy: -58.382067
where:
bonds (distance) C4'-P energy: -10.213
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -12.149
flat angles P-C4'-P energy: -8.123
tors. eta vs tors. theta energy: -13.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -78.053135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.053135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.053135 (E_RNA)
where:
Base-Base interactions energy: -33.588
where: short stacking energy: -15.644
Base-Backbone interact. energy: -0.101
local terms energy: -44.364220
where:
bonds (distance) C4'-P energy: -9.057
bonds (distance) P-C4' energy: -12.627
flat angles C4'-P-C4' energy: -9.721
flat angles P-C4'-P energy: -11.037
tors. eta vs tors. theta energy: -1.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -100.460302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.460302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.460302 (E_RNA)
where:
Base-Base interactions energy: -58.690
where: short stacking energy: -18.924
Base-Backbone interact. energy: -0.337
local terms energy: -41.432741
where:
bonds (distance) C4'-P energy: -11.579
bonds (distance) P-C4' energy: -8.859
flat angles C4'-P-C4' energy: -6.359
flat angles P-C4'-P energy: -10.023
tors. eta vs tors. theta energy: -4.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -95.515378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.515378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.515378 (E_RNA)
where:
Base-Base interactions energy: -59.903
where: short stacking energy: -14.695
Base-Backbone interact. energy: 0.511
local terms energy: -36.123288
where:
bonds (distance) C4'-P energy: -11.421
bonds (distance) P-C4' energy: -13.297
flat angles C4'-P-C4' energy: -6.537
flat angles P-C4'-P energy: -3.497
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: 9, replica: 9
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -60.562690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.562690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.562690 (E_RNA)
where:
Base-Base interactions energy: -21.720
where: short stacking energy: -21.720
Base-Backbone interact. energy: 0.153
local terms energy: -38.995503
where:
bonds (distance) C4'-P energy: -8.481
bonds (distance) P-C4' energy: -13.343
flat angles C4'-P-C4' energy: -11.567
flat angles P-C4'-P energy: -4.542
tors. eta vs tors. theta energy: -1.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -53.182603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.182603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.182603 (E_RNA)
where:
Base-Base interactions energy: -27.028
where: short stacking energy: -5.291
Base-Backbone interact. energy: -0.634
local terms energy: -25.520867
where:
bonds (distance) C4'-P energy: -9.902
bonds (distance) P-C4' energy: -8.229
flat angles C4'-P-C4' energy: -8.119
flat angles P-C4'-P energy: -6.637
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: 1, replica: 1
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -184.840811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.840811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.840811 (E_RNA)
where:
Base-Base interactions energy: -118.274
where: short stacking energy: -48.378
Base-Backbone interact. energy: -0.015
local terms energy: -66.552141
where:
bonds (distance) C4'-P energy: -12.074
bonds (distance) P-C4' energy: -12.930
flat angles C4'-P-C4' energy: -12.853
flat angles P-C4'-P energy: -9.417
tors. eta vs tors. theta energy: -19.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -179.775332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.775332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.775332 (E_RNA)
where:
Base-Base interactions energy: -118.373
where: short stacking energy: -40.425
Base-Backbone interact. energy: -0.125
local terms energy: -61.277244
where:
bonds (distance) C4'-P energy: -12.990
bonds (distance) P-C4' energy: -12.733
flat angles C4'-P-C4' energy: -14.107
flat angles P-C4'-P energy: -10.473
tors. eta vs tors. theta energy: -10.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -175.042961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.042961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.042961 (E_RNA)
where:
Base-Base interactions energy: -108.994
where: short stacking energy: -41.578
Base-Backbone interact. energy: -0.000
local terms energy: -66.048949
where:
bonds (distance) C4'-P energy: -14.228
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -12.676
flat angles P-C4'-P energy: -7.913
tors. eta vs tors. theta energy: -17.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -175.699686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.699686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.699686 (E_RNA)
where:
Base-Base interactions energy: -117.132
where: short stacking energy: -48.127
Base-Backbone interact. energy: -0.666
local terms energy: -57.901764
where:
bonds (distance) C4'-P energy: -13.135
bonds (distance) P-C4' energy: -8.918
flat angles C4'-P-C4' energy: -13.052
flat angles P-C4'-P energy: -6.687
tors. eta vs tors. theta energy: -16.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -144.911513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.911513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.911513 (E_RNA)
where:
Base-Base interactions energy: -92.227
where: short stacking energy: -41.731
Base-Backbone interact. energy: 0.732
local terms energy: -53.417007
where:
bonds (distance) C4'-P energy: -11.963
bonds (distance) P-C4' energy: -9.871
flat angles C4'-P-C4' energy: -8.445
flat angles P-C4'-P energy: -9.699
tors. eta vs tors. theta energy: -13.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -85.212678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.212678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.212678 (E_RNA)
where:
Base-Base interactions energy: -38.877
where: short stacking energy: -26.392
Base-Backbone interact. energy: -0.031
local terms energy: -46.304926
where:
bonds (distance) C4'-P energy: -12.174
bonds (distance) P-C4' energy: -11.364
flat angles C4'-P-C4' energy: -7.096
flat angles P-C4'-P energy: -8.700
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: 7, replica: 5
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -74.231790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.231790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.231790 (E_RNA)
where:
Base-Base interactions energy: -27.591
where: short stacking energy: -18.888
Base-Backbone interact. energy: -0.404
local terms energy: -46.237727
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -10.994
flat angles P-C4'-P energy: -8.819
tors. eta vs tors. theta energy: -0.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -59.130158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.130158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.130158 (E_RNA)
where:
Base-Base interactions energy: -14.603
where: short stacking energy: -14.603
Base-Backbone interact. energy: -0.160
local terms energy: -44.366986
where:
bonds (distance) C4'-P energy: -10.431
bonds (distance) P-C4' energy: -9.734
flat angles C4'-P-C4' energy: -11.052
flat angles P-C4'-P energy: -8.136
tors. eta vs tors. theta energy: -5.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -71.148162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.148162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.148162 (E_RNA)
where:
Base-Base interactions energy: -32.168
where: short stacking energy: -11.059
Base-Backbone interact. energy: 2.000
local terms energy: -40.979680
where:
bonds (distance) C4'-P energy: -10.639
bonds (distance) P-C4' energy: -12.987
flat angles C4'-P-C4' energy: -10.009
flat angles P-C4'-P energy: -7.371
tors. eta vs tors. theta energy: 0.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -58.037207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.037207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.037207 (E_RNA)
where:
Base-Base interactions energy: -19.091
where: short stacking energy: -12.563
Base-Backbone interact. energy: -0.140
local terms energy: -38.806310
where:
bonds (distance) C4'-P energy: -12.340
bonds (distance) P-C4' energy: -12.116
flat angles C4'-P-C4' energy: -11.269
flat angles P-C4'-P energy: -5.424
tors. eta vs tors. theta energy: 2.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -185.320610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.320610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.320610 (E_RNA)
where:
Base-Base interactions energy: -119.868
where: short stacking energy: -50.228
Base-Backbone interact. energy: -0.027
local terms energy: -65.425815
where:
bonds (distance) C4'-P energy: -10.034
bonds (distance) P-C4' energy: -15.122
flat angles C4'-P-C4' energy: -14.591
flat angles P-C4'-P energy: -7.032
tors. eta vs tors. theta energy: -18.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -183.316123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.316123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.316123 (E_RNA)
where:
Base-Base interactions energy: -124.926
where: short stacking energy: -54.452
Base-Backbone interact. energy: -0.048
local terms energy: -58.341556
where:
bonds (distance) C4'-P energy: -10.422
bonds (distance) P-C4' energy: -11.518
flat angles C4'-P-C4' energy: -11.609
flat angles P-C4'-P energy: -8.469
tors. eta vs tors. theta energy: -16.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -174.113779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.113779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.113779 (E_RNA)
where:
Base-Base interactions energy: -115.729
where: short stacking energy: -43.930
Base-Backbone interact. energy: -0.062
local terms energy: -58.323290
where:
bonds (distance) C4'-P energy: -9.239
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -11.640
flat angles P-C4'-P energy: -7.172
tors. eta vs tors. theta energy: -15.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -173.777567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.777567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.777567 (E_RNA)
where:
Base-Base interactions energy: -115.531
where: short stacking energy: -40.566
Base-Backbone interact. energy: -0.345
local terms energy: -57.901841
where:
bonds (distance) C4'-P energy: -12.298
bonds (distance) P-C4' energy: -12.147
flat angles C4'-P-C4' energy: -11.285
flat angles P-C4'-P energy: -6.923
tors. eta vs tors. theta energy: -15.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -168.762154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.762154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.762154 (E_RNA)
where:
Base-Base interactions energy: -110.779
where: short stacking energy: -39.458
Base-Backbone interact. energy: -0.205
local terms energy: -57.778560
where:
bonds (distance) C4'-P energy: -12.067
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -10.445
flat angles P-C4'-P energy: -8.876
tors. eta vs tors. theta energy: -11.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -72.712494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.712494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.712494 (E_RNA)
where:
Base-Base interactions energy: -30.939
where: short stacking energy: -22.609
Base-Backbone interact. energy: 0.258
local terms energy: -42.031942
where:
bonds (distance) C4'-P energy: -7.224
bonds (distance) P-C4' energy: -11.553
flat angles C4'-P-C4' energy: -9.243
flat angles P-C4'-P energy: -9.545
tors. eta vs tors. theta energy: -4.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -61.714283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.714283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.714283 (E_RNA)
where:
Base-Base interactions energy: -20.556
where: short stacking energy: -11.272
Base-Backbone interact. energy: -0.361
local terms energy: -40.797888
where:
bonds (distance) C4'-P energy: -9.325
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -12.373
flat angles P-C4'-P energy: -6.685
tors. eta vs tors. theta energy: 0.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -61.055542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.055542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.055542 (E_RNA)
where:
Base-Base interactions energy: -18.779
where: short stacking energy: -9.974
Base-Backbone interact. energy: -0.093
local terms energy: -42.184140
where:
bonds (distance) C4'-P energy: -12.749
bonds (distance) P-C4' energy: -13.106
flat angles C4'-P-C4' energy: -6.075
flat angles P-C4'-P energy: -11.150
tors. eta vs tors. theta energy: 0.896
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: 4
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -58.718589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.718589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.718589 (E_RNA)
where:
Base-Base interactions energy: -19.267
where: short stacking energy: -16.885
Base-Backbone interact. energy: -0.142
local terms energy: -39.309726
where:
bonds (distance) C4'-P energy: -10.052
bonds (distance) P-C4' energy: -6.373
flat angles C4'-P-C4' energy: -14.282
flat angles P-C4'-P energy: -8.033
tors. eta vs tors. theta energy: -0.570
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: 260
Temperature: 1.350000
Total energy: -58.406037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.406037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.406037 (E_RNA)
where:
Base-Base interactions energy: -19.103
where: short stacking energy: -11.565
Base-Backbone interact. energy: -0.164
local terms energy: -39.139249
where:
bonds (distance) C4'-P energy: -11.764
bonds (distance) P-C4' energy: -10.760
flat angles C4'-P-C4' energy: -11.499
flat angles P-C4'-P energy: -3.964
tors. eta vs tors. theta energy: -1.152
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: 6
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -181.924211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.924211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.924211 (E_RNA)
where:
Base-Base interactions energy: -116.481
where: short stacking energy: -49.559
Base-Backbone interact. energy: -0.216
local terms energy: -65.226722
where:
bonds (distance) C4'-P energy: -12.928
bonds (distance) P-C4' energy: -13.959
flat angles C4'-P-C4' energy: -12.520
flat angles P-C4'-P energy: -9.013
tors. eta vs tors. theta energy: -16.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -177.079578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.079578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.079578 (E_RNA)
where:
Base-Base interactions energy: -110.375
where: short stacking energy: -44.995
Base-Backbone interact. energy: -0.012
local terms energy: -66.692974
where:
bonds (distance) C4'-P energy: -12.357
bonds (distance) P-C4' energy: -12.356
flat angles C4'-P-C4' energy: -13.734
flat angles P-C4'-P energy: -11.048
tors. eta vs tors. theta energy: -17.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -178.530834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.530834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.530834 (E_RNA)
where:
Base-Base interactions energy: -117.808
where: short stacking energy: -45.866
Base-Backbone interact. energy: -0.048
local terms energy: -60.674188
where:
bonds (distance) C4'-P energy: -11.566
bonds (distance) P-C4' energy: -13.123
flat angles C4'-P-C4' energy: -9.585
flat angles P-C4'-P energy: -10.832
tors. eta vs tors. theta energy: -15.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -170.313677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.313677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.313677 (E_RNA)
where:
Base-Base interactions energy: -110.453
where: short stacking energy: -43.785
Base-Backbone interact. energy: -0.001
local terms energy: -59.859472
where:
bonds (distance) C4'-P energy: -11.053
bonds (distance) P-C4' energy: -10.091
flat angles C4'-P-C4' energy: -14.500
flat angles P-C4'-P energy: -7.411
tors. eta vs tors. theta energy: -16.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -153.796913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.796913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.796913 (E_RNA)
where:
Base-Base interactions energy: -97.287
where: short stacking energy: -36.958
Base-Backbone interact. energy: -0.094
local terms energy: -56.415407
where:
bonds (distance) C4'-P energy: -11.960
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -9.570
flat angles P-C4'-P energy: -8.511
tors. eta vs tors. theta energy: -12.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -96.742212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.742212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.742212 (E_RNA)
where:
Base-Base interactions energy: -57.265
where: short stacking energy: -19.697
Base-Backbone interact. energy: -0.031
local terms energy: -39.445469
where:
bonds (distance) C4'-P energy: -3.858
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -12.966
flat angles P-C4'-P energy: -8.930
tors. eta vs tors. theta energy: -0.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -79.245458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.245458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.245458 (E_RNA)
where:
Base-Base interactions energy: -34.149
where: short stacking energy: -18.241
Base-Backbone interact. energy: -0.052
local terms energy: -45.044345
where:
bonds (distance) C4'-P energy: -8.727
bonds (distance) P-C4' energy: -12.333
flat angles C4'-P-C4' energy: -11.111
flat angles P-C4'-P energy: -7.059
tors. eta vs tors. theta energy: -5.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -73.359306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.359306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.359306 (E_RNA)
where:
Base-Base interactions energy: -24.423
where: short stacking energy: -23.768
Base-Backbone interact. energy: -0.099
local terms energy: -48.837218
where:
bonds (distance) C4'-P energy: -11.782
bonds (distance) P-C4' energy: -10.211
flat angles C4'-P-C4' energy: -9.401
flat angles P-C4'-P energy: -8.620
tors. eta vs tors. theta energy: -8.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -58.150068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.150068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.150068 (E_RNA)
where:
Base-Base interactions energy: -23.712
where: short stacking energy: -19.304
Base-Backbone interact. energy: -0.149
local terms energy: -34.289091
where:
bonds (distance) C4'-P energy: -12.022
bonds (distance) P-C4' energy: -8.392
flat angles C4'-P-C4' energy: -11.965
flat angles P-C4'-P energy: -5.956
tors. eta vs tors. theta energy: 4.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -58.192556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.192556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.192556 (E_RNA)
where:
Base-Base interactions energy: -18.436
where: short stacking energy: -12.526
Base-Backbone interact. energy: -0.064
local terms energy: -39.692387
where:
bonds (distance) C4'-P energy: -11.297
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -11.060
flat angles P-C4'-P energy: 0.954
tors. eta vs tors. theta energy: -4.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -181.868170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.868170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.868170 (E_RNA)
where:
Base-Base interactions energy: -118.022
where: short stacking energy: -45.088
Base-Backbone interact. energy: -0.023
local terms energy: -63.823972
where:
bonds (distance) C4'-P energy: -14.547
bonds (distance) P-C4' energy: -14.415
flat angles C4'-P-C4' energy: -11.505
flat angles P-C4'-P energy: -7.478
tors. eta vs tors. theta energy: -15.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -172.630070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.630070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.630070 (E_RNA)
where:
Base-Base interactions energy: -116.127
where: short stacking energy: -44.013
Base-Backbone interact. energy: -0.101
local terms energy: -56.402229
where:
bonds (distance) C4'-P energy: -11.160
bonds (distance) P-C4' energy: -9.952
flat angles C4'-P-C4' energy: -12.908
flat angles P-C4'-P energy: -6.329
tors. eta vs tors. theta energy: -16.053
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: 7
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -176.468711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.468711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.468711 (E_RNA)
where:
Base-Base interactions energy: -115.972
where: short stacking energy: -45.434
Base-Backbone interact. energy: -0.014
local terms energy: -60.482934
where:
bonds (distance) C4'-P energy: -12.287
bonds (distance) P-C4' energy: -13.705
flat angles C4'-P-C4' energy: -10.091
flat angles P-C4'-P energy: -10.815
tors. eta vs tors. theta energy: -13.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -169.399742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.399742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.399742 (E_RNA)
where:
Base-Base interactions energy: -105.039
where: short stacking energy: -40.096
Base-Backbone interact. energy: -0.041
local terms energy: -64.320281
where:
bonds (distance) C4'-P energy: -13.628
bonds (distance) P-C4' energy: -14.364
flat angles C4'-P-C4' energy: -12.025
flat angles P-C4'-P energy: -8.723
tors. eta vs tors. theta energy: -15.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -72.895774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.895774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.895774 (E_RNA)
where:
Base-Base interactions energy: -22.378
where: short stacking energy: -15.491
Base-Backbone interact. energy: -0.216
local terms energy: -50.302077
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -12.300
flat angles P-C4'-P energy: -4.456
tors. eta vs tors. theta energy: -5.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -103.395478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.395478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.395478 (E_RNA)
where:
Base-Base interactions energy: -59.296
where: short stacking energy: -21.655
Base-Backbone interact. energy: -0.087
local terms energy: -44.012604
where:
bonds (distance) C4'-P energy: -4.644
bonds (distance) P-C4' energy: -13.564
flat angles C4'-P-C4' energy: -14.118
flat angles P-C4'-P energy: -8.839
tors. eta vs tors. theta energy: -2.848
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: 4
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -70.505620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.505620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.505620 (E_RNA)
where:
Base-Base interactions energy: -19.565
where: short stacking energy: -18.198
Base-Backbone interact. energy: -0.209
local terms energy: -50.731386
where:
bonds (distance) C4'-P energy: -10.416
bonds (distance) P-C4' energy: -13.773
flat angles C4'-P-C4' energy: -14.797
flat angles P-C4'-P energy: -9.942
tors. eta vs tors. theta energy: -1.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -68.895695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.895695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.895695 (E_RNA)
where:
Base-Base interactions energy: -26.404
where: short stacking energy: -20.263
Base-Backbone interact. energy: -0.035
local terms energy: -42.456116
where:
bonds (distance) C4'-P energy: -12.344
bonds (distance) P-C4' energy: -11.088
flat angles C4'-P-C4' energy: -11.291
flat angles P-C4'-P energy: -8.024
tors. eta vs tors. theta energy: 0.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -65.693500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.693500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.693500 (E_RNA)
where:
Base-Base interactions energy: -25.371
where: short stacking energy: -15.190
Base-Backbone interact. energy: -0.493
local terms energy: -39.830004
where:
bonds (distance) C4'-P energy: -6.696
bonds (distance) P-C4' energy: -12.820
flat angles C4'-P-C4' energy: -12.737
flat angles P-C4'-P energy: -5.371
tors. eta vs tors. theta energy: -2.205
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: 9
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -66.384218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.384218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.384218 (E_RNA)
where:
Base-Base interactions energy: -29.871
where: short stacking energy: -20.349
Base-Backbone interact. energy: -0.243
local terms energy: -36.269690
where:
bonds (distance) C4'-P energy: -8.721
bonds (distance) P-C4' energy: -8.840
flat angles C4'-P-C4' energy: -11.990
flat angles P-C4'-P energy: -4.875
tors. eta vs tors. theta energy: -1.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -182.908541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.908541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.908541 (E_RNA)
where:
Base-Base interactions energy: -120.789
where: short stacking energy: -51.395
Base-Backbone interact. energy: -0.686
local terms energy: -61.434187
where:
bonds (distance) C4'-P energy: -12.201
bonds (distance) P-C4' energy: -9.989
flat angles C4'-P-C4' energy: -12.855
flat angles P-C4'-P energy: -10.295
tors. eta vs tors. theta energy: -16.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -180.501116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.501116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.501116 (E_RNA)
where:
Base-Base interactions energy: -116.471
where: short stacking energy: -47.920
Base-Backbone interact. energy: -0.046
local terms energy: -63.983651
where:
bonds (distance) C4'-P energy: -11.910
bonds (distance) P-C4' energy: -11.605
flat angles C4'-P-C4' energy: -13.815
flat angles P-C4'-P energy: -10.636
tors. eta vs tors. theta energy: -16.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -178.174952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.174952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.174952 (E_RNA)
where:
Base-Base interactions energy: -115.771
where: short stacking energy: -42.439
Base-Backbone interact. energy: -1.026
local terms energy: -61.377258
where:
bonds (distance) C4'-P energy: -13.424
bonds (distance) P-C4' energy: -10.868
flat angles C4'-P-C4' energy: -12.748
flat angles P-C4'-P energy: -7.660
tors. eta vs tors. theta energy: -16.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -165.662328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.662328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.662328 (E_RNA)
where:
Base-Base interactions energy: -111.269
where: short stacking energy: -37.981
Base-Backbone interact. energy: 0.343
local terms energy: -54.735751
where:
bonds (distance) C4'-P energy: -10.958
bonds (distance) P-C4' energy: -11.488
flat angles C4'-P-C4' energy: -13.537
flat angles P-C4'-P energy: -6.015
tors. eta vs tors. theta energy: -12.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -75.259353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.259353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.259353 (E_RNA)
where:
Base-Base interactions energy: -20.601
where: short stacking energy: -20.601
Base-Backbone interact. energy: -0.001
local terms energy: -54.657267
where:
bonds (distance) C4'-P energy: -12.519
bonds (distance) P-C4' energy: -15.559
flat angles C4'-P-C4' energy: -12.049
flat angles P-C4'-P energy: -8.327
tors. eta vs tors. theta energy: -6.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -129.298614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.298614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.298614 (E_RNA)
where:
Base-Base interactions energy: -82.041
where: short stacking energy: -35.641
Base-Backbone interact. energy: -0.105
local terms energy: -47.152985
where:
bonds (distance) C4'-P energy: -6.745
bonds (distance) P-C4' energy: -10.269
flat angles C4'-P-C4' energy: -13.010
flat angles P-C4'-P energy: -9.326
tors. eta vs tors. theta energy: -7.803
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: 263
Temperature: 1.200000
Total energy: -71.425413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.425413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.425413 (E_RNA)
where:
Base-Base interactions energy: -35.182
where: short stacking energy: -17.815
Base-Backbone interact. energy: -0.147
local terms energy: -36.096191
where:
bonds (distance) C4'-P energy: -4.835
bonds (distance) P-C4' energy: -12.948
flat angles C4'-P-C4' energy: -11.699
flat angles P-C4'-P energy: -8.144
tors. eta vs tors. theta energy: 1.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -67.189063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.189063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.189063 (E_RNA)
where:
Base-Base interactions energy: -29.849
where: short stacking energy: -10.093
Base-Backbone interact. energy: -0.447
local terms energy: -36.892511
where:
bonds (distance) C4'-P energy: -13.206
bonds (distance) P-C4' energy: -12.889
flat angles C4'-P-C4' energy: -9.700
flat angles P-C4'-P energy: -5.991
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: 9, replica: 5
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -57.428009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.428009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.428009 (E_RNA)
where:
Base-Base interactions energy: -18.443
where: short stacking energy: -18.443
Base-Backbone interact. energy: -0.100
local terms energy: -38.885559
where:
bonds (distance) C4'-P energy: -11.541
bonds (distance) P-C4' energy: -13.447
flat angles C4'-P-C4' energy: -9.619
flat angles P-C4'-P energy: -4.392
tors. eta vs tors. theta energy: 0.114
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: 9
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -57.027939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.027939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.027939 (E_RNA)
where:
Base-Base interactions energy: -19.714
where: short stacking energy: -14.726
Base-Backbone interact. energy: 0.235
local terms energy: -37.549811
where:
bonds (distance) C4'-P energy: -11.599
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -7.394
flat angles P-C4'-P energy: -7.728
tors. eta vs tors. theta energy: 4.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -181.864901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.864901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.864901 (E_RNA)
where:
Base-Base interactions energy: -120.081
where: short stacking energy: -51.761
Base-Backbone interact. energy: -0.025
local terms energy: -61.759210
where:
bonds (distance) C4'-P energy: -11.658
bonds (distance) P-C4' energy: -12.746
flat angles C4'-P-C4' energy: -11.719
flat angles P-C4'-P energy: -7.682
tors. eta vs tors. theta energy: -17.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -179.073722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.073722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.073722 (E_RNA)
where:
Base-Base interactions energy: -115.406
where: short stacking energy: -44.925
Base-Backbone interact. energy: -0.001
local terms energy: -63.667100
where:
bonds (distance) C4'-P energy: -12.111
bonds (distance) P-C4' energy: -13.592
flat angles C4'-P-C4' energy: -13.693
flat angles P-C4'-P energy: -9.179
tors. eta vs tors. theta energy: -15.092
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: 1
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -172.407937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.407937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.407937 (E_RNA)
where:
Base-Base interactions energy: -112.917
where: short stacking energy: -40.436
Base-Backbone interact. energy: -0.045
local terms energy: -59.445954
where:
bonds (distance) C4'-P energy: -10.866
bonds (distance) P-C4' energy: -12.589
flat angles C4'-P-C4' energy: -14.394
flat angles P-C4'-P energy: -9.662
tors. eta vs tors. theta energy: -11.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -179.021976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.021976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.021976 (E_RNA)
where:
Base-Base interactions energy: -113.651
where: short stacking energy: -48.807
Base-Backbone interact. energy: -0.003
local terms energy: -65.368409
where:
bonds (distance) C4'-P energy: -11.892
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -14.077
flat angles P-C4'-P energy: -7.667
tors. eta vs tors. theta energy: -17.549
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: 8
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -144.387632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.387632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.387632 (E_RNA)
where:
Base-Base interactions energy: -89.546
where: short stacking energy: -30.727
Base-Backbone interact. energy: -0.699
local terms energy: -54.143129
where:
bonds (distance) C4'-P energy: -10.241
bonds (distance) P-C4' energy: -11.270
flat angles C4'-P-C4' energy: -12.309
flat angles P-C4'-P energy: -8.581
tors. eta vs tors. theta energy: -11.741
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: 2
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -72.776329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.776329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.776329 (E_RNA)
where:
Base-Base interactions energy: -28.959
where: short stacking energy: -27.335
Base-Backbone interact. energy: -0.068
local terms energy: -43.748987
where:
bonds (distance) C4'-P energy: -9.020
bonds (distance) P-C4' energy: -11.050
flat angles C4'-P-C4' energy: -12.708
flat angles P-C4'-P energy: -6.625
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: 7, replica: 10
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -104.402179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.402179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.402179 (E_RNA)
where:
Base-Base interactions energy: -57.409
where: short stacking energy: -21.962
Base-Backbone interact. energy: 0.583
local terms energy: -47.576987
where:
bonds (distance) C4'-P energy: -13.326
bonds (distance) P-C4' energy: -9.952
flat angles C4'-P-C4' energy: -11.389
flat angles P-C4'-P energy: -10.439
tors. eta vs tors. theta energy: -2.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -63.442325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.442325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.442325 (E_RNA)
where:
Base-Base interactions energy: -25.581
where: short stacking energy: -10.937
Base-Backbone interact. energy: -0.174
local terms energy: -37.687032
where:
bonds (distance) C4'-P energy: -11.400
bonds (distance) P-C4' energy: -12.198
flat angles C4'-P-C4' energy: -5.933
flat angles P-C4'-P energy: -8.029
tors. eta vs tors. theta energy: -0.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -71.957673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.957673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.957673 (E_RNA)
where:
Base-Base interactions energy: -35.731
where: short stacking energy: -10.912
Base-Backbone interact. energy: -0.108
local terms energy: -36.118659
where:
bonds (distance) C4'-P energy: -6.399
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -10.093
flat angles P-C4'-P energy: -5.607
tors. eta vs tors. theta energy: -0.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -66.545663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.545663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.545663 (E_RNA)
where:
Base-Base interactions energy: -27.571
where: short stacking energy: -14.325
Base-Backbone interact. energy: 1.125
local terms energy: -40.099943
where:
bonds (distance) C4'-P energy: -8.800
bonds (distance) P-C4' energy: -9.922
flat angles C4'-P-C4' energy: -11.272
flat angles P-C4'-P energy: -7.015
tors. eta vs tors. theta energy: -3.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -182.368120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.368120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.368120 (E_RNA)
where:
Base-Base interactions energy: -119.213
where: short stacking energy: -47.350
Base-Backbone interact. energy: -0.095
local terms energy: -63.060085
where:
bonds (distance) C4'-P energy: -11.777
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -10.807
flat angles P-C4'-P energy: -9.440
tors. eta vs tors. theta energy: -17.085
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: 265
Temperature: 0.950000
Total energy: -181.658951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.658951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.658951 (E_RNA)
where:
Base-Base interactions energy: -122.129
where: short stacking energy: -50.942
Base-Backbone interact. energy: -0.003
local terms energy: -59.526628
where:
bonds (distance) C4'-P energy: -9.670
bonds (distance) P-C4' energy: -11.620
flat angles C4'-P-C4' energy: -11.506
flat angles P-C4'-P energy: -7.928
tors. eta vs tors. theta energy: -18.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -173.804563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.804563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.804563 (E_RNA)
where:
Base-Base interactions energy: -116.036
where: short stacking energy: -42.522
Base-Backbone interact. energy: -0.121
local terms energy: -57.647624
where:
bonds (distance) C4'-P energy: -9.520
bonds (distance) P-C4' energy: -13.561
flat angles C4'-P-C4' energy: -11.036
flat angles P-C4'-P energy: -9.679
tors. eta vs tors. theta energy: -13.852
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: 4, replica: 7
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -165.514692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.514692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.514692 (E_RNA)
where:
Base-Base interactions energy: -111.288
where: short stacking energy: -41.018
Base-Backbone interact. energy: -0.026
local terms energy: -54.200254
where:
bonds (distance) C4'-P energy: -8.353
bonds (distance) P-C4' energy: -9.588
flat angles C4'-P-C4' energy: -13.012
flat angles P-C4'-P energy: -9.570
tors. eta vs tors. theta energy: -13.677
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: 8
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -164.991868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.991868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.991868 (E_RNA)
where:
Base-Base interactions energy: -112.367
where: short stacking energy: -42.367
Base-Backbone interact. energy: -0.016
local terms energy: -52.608985
where:
bonds (distance) C4'-P energy: -10.655
bonds (distance) P-C4' energy: -8.668
flat angles C4'-P-C4' energy: -13.945
flat angles P-C4'-P energy: -5.418
tors. eta vs tors. theta energy: -13.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -108.176915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.176915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.176915 (E_RNA)
where:
Base-Base interactions energy: -63.207
where: short stacking energy: -25.531
Base-Backbone interact. energy: -0.224
local terms energy: -44.745387
where:
bonds (distance) C4'-P energy: -10.783
bonds (distance) P-C4' energy: -12.197
flat angles C4'-P-C4' energy: -13.690
flat angles P-C4'-P energy: -3.067
tors. eta vs tors. theta energy: -5.008
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: 2
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -70.346352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.346352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.346352 (E_RNA)
where:
Base-Base interactions energy: -25.373
where: short stacking energy: -24.143
Base-Backbone interact. energy: -0.686
local terms energy: -44.287547
where:
bonds (distance) C4'-P energy: -12.882
bonds (distance) P-C4' energy: -10.490
flat angles C4'-P-C4' energy: -8.138
flat angles P-C4'-P energy: -5.284
tors. eta vs tors. theta energy: -7.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -69.641719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.641719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.641719 (E_RNA)
where:
Base-Base interactions energy: -20.083
where: short stacking energy: -18.995
Base-Backbone interact. energy: -0.326
local terms energy: -49.232847
where:
bonds (distance) C4'-P energy: -10.109
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -9.270
flat angles P-C4'-P energy: -9.469
tors. eta vs tors. theta energy: -6.888
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: 4
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -57.325425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.325425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.325425 (E_RNA)
where:
Base-Base interactions energy: -18.637
where: short stacking energy: -16.859
Base-Backbone interact. energy: -0.358
local terms energy: -38.329817
where:
bonds (distance) C4'-P energy: -7.265
bonds (distance) P-C4' energy: -13.018
flat angles C4'-P-C4' energy: -8.193
flat angles P-C4'-P energy: -10.603
tors. eta vs tors. theta energy: 0.749
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: 10, replica: 5
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -57.014372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.014372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.014372 (E_RNA)
where:
Base-Base interactions energy: -16.677
where: short stacking energy: -16.677
Base-Backbone interact. energy: 0.408
local terms energy: -40.745006
where:
bonds (distance) C4'-P energy: -12.245
bonds (distance) P-C4' energy: -13.248
flat angles C4'-P-C4' energy: -6.623
flat angles P-C4'-P energy: -8.284
tors. eta vs tors. theta energy: -0.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -181.173994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.173994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.173994 (E_RNA)
where:
Base-Base interactions energy: -116.395
where: short stacking energy: -42.032
Base-Backbone interact. energy: -0.014
local terms energy: -64.764747
where:
bonds (distance) C4'-P energy: -14.873
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -13.327
flat angles P-C4'-P energy: -8.723
tors. eta vs tors. theta energy: -14.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -178.927547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.927547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.927547 (E_RNA)
where:
Base-Base interactions energy: -122.104
where: short stacking energy: -48.275
Base-Backbone interact. energy: -0.096
local terms energy: -56.727968
where:
bonds (distance) C4'-P energy: -11.976
bonds (distance) P-C4' energy: -10.387
flat angles C4'-P-C4' energy: -10.716
flat angles P-C4'-P energy: -7.765
tors. eta vs tors. theta energy: -15.885
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: 1
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -174.706471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.706471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.706471 (E_RNA)
where:
Base-Base interactions energy: -115.751
where: short stacking energy: -45.189
Base-Backbone interact. energy: -0.582
local terms energy: -58.372594
where:
bonds (distance) C4'-P energy: -11.227
bonds (distance) P-C4' energy: -13.022
flat angles C4'-P-C4' energy: -13.202
flat angles P-C4'-P energy: -8.916
tors. eta vs tors. theta energy: -12.006
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: 7
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -172.482570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.482570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.482570 (E_RNA)
where:
Base-Base interactions energy: -116.754
where: short stacking energy: -45.931
Base-Backbone interact. energy: -0.039
local terms energy: -55.689204
where:
bonds (distance) C4'-P energy: -11.703
bonds (distance) P-C4' energy: -10.622
flat angles C4'-P-C4' energy: -12.119
flat angles P-C4'-P energy: -5.382
tors. eta vs tors. theta energy: -15.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -171.013010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.013010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.013010 (E_RNA)
where:
Base-Base interactions energy: -110.553
where: short stacking energy: -38.435
Base-Backbone interact. energy: -0.052
local terms energy: -60.407349
where:
bonds (distance) C4'-P energy: -11.223
bonds (distance) P-C4' energy: -12.293
flat angles C4'-P-C4' energy: -12.574
flat angles P-C4'-P energy: -9.839
tors. eta vs tors. theta energy: -14.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -128.031889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.031889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.031889 (E_RNA)
where:
Base-Base interactions energy: -82.485
where: short stacking energy: -29.966
Base-Backbone interact. energy: -0.006
local terms energy: -45.540497
where:
bonds (distance) C4'-P energy: -12.174
bonds (distance) P-C4' energy: -9.061
flat angles C4'-P-C4' energy: -9.420
flat angles P-C4'-P energy: -5.642
tors. eta vs tors. theta energy: -9.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -78.275868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.275868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.275868 (E_RNA)
where:
Base-Base interactions energy: -44.636
where: short stacking energy: -19.577
Base-Backbone interact. energy: -0.108
local terms energy: -33.531550
where:
bonds (distance) C4'-P energy: -8.717
bonds (distance) P-C4' energy: -8.176
flat angles C4'-P-C4' energy: -8.885
flat angles P-C4'-P energy: -8.139
tors. eta vs tors. theta energy: 0.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -59.893343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.893343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.893343 (E_RNA)
where:
Base-Base interactions energy: -15.622
where: short stacking energy: -15.622
Base-Backbone interact. energy: -0.167
local terms energy: -44.103585
where:
bonds (distance) C4'-P energy: -8.974
bonds (distance) P-C4' energy: -13.247
flat angles C4'-P-C4' energy: -10.859
flat angles P-C4'-P energy: -5.565
tors. eta vs tors. theta energy: -5.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -61.094795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.094795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.094795 (E_RNA)
where:
Base-Base interactions energy: -23.975
where: short stacking energy: -15.561
Base-Backbone interact. energy: -0.049
local terms energy: -37.070251
where:
bonds (distance) C4'-P energy: -10.362
bonds (distance) P-C4' energy: -11.337
flat angles C4'-P-C4' energy: -7.879
flat angles P-C4'-P energy: -5.886
tors. eta vs tors. theta energy: -1.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -64.550750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.550750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.550750 (E_RNA)
where:
Base-Base interactions energy: -33.006
where: short stacking energy: -14.771
Base-Backbone interact. energy: -1.537
local terms energy: -30.007682
where:
bonds (distance) C4'-P energy: -9.380
bonds (distance) P-C4' energy: -10.165
flat angles C4'-P-C4' energy: -5.735
flat angles P-C4'-P energy: -4.330
tors. eta vs tors. theta energy: -0.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -183.761623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.761623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.761623 (E_RNA)
where:
Base-Base interactions energy: -116.768
where: short stacking energy: -48.465
Base-Backbone interact. energy: -0.004
local terms energy: -66.989331
where:
bonds (distance) C4'-P energy: -8.890
bonds (distance) P-C4' energy: -14.424
flat angles C4'-P-C4' energy: -16.079
flat angles P-C4'-P energy: -9.989
tors. eta vs tors. theta energy: -17.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -173.652332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.652332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.652332 (E_RNA)
where:
Base-Base interactions energy: -110.372
where: short stacking energy: -46.492
Base-Backbone interact. energy: -0.015
local terms energy: -63.265313
where:
bonds (distance) C4'-P energy: -12.357
bonds (distance) P-C4' energy: -13.150
flat angles C4'-P-C4' energy: -12.635
flat angles P-C4'-P energy: -7.895
tors. eta vs tors. theta energy: -17.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -171.089962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.089962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.089962 (E_RNA)
where:
Base-Base interactions energy: -112.015
where: short stacking energy: -46.544
Base-Backbone interact. energy: -0.788
local terms energy: -58.286430
where:
bonds (distance) C4'-P energy: -12.742
bonds (distance) P-C4' energy: -11.482
flat angles C4'-P-C4' energy: -11.387
flat angles P-C4'-P energy: -7.370
tors. eta vs tors. theta energy: -15.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -171.927750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.927750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.927750 (E_RNA)
where:
Base-Base interactions energy: -116.602
where: short stacking energy: -46.722
Base-Backbone interact. energy: -0.002
local terms energy: -55.323757
where:
bonds (distance) C4'-P energy: -8.307
bonds (distance) P-C4' energy: -13.216
flat angles C4'-P-C4' energy: -12.852
flat angles P-C4'-P energy: -4.423
tors. eta vs tors. theta energy: -16.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -173.692354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.692354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.692354 (E_RNA)
where:
Base-Base interactions energy: -112.885
where: short stacking energy: -48.237
Base-Backbone interact. energy: 0.231
local terms energy: -61.038149
where:
bonds (distance) C4'-P energy: -11.819
bonds (distance) P-C4' energy: -13.373
flat angles C4'-P-C4' energy: -11.760
flat angles P-C4'-P energy: -8.105
tors. eta vs tors. theta energy: -15.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -90.955626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.955626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.955626 (E_RNA)
where:
Base-Base interactions energy: -50.482
where: short stacking energy: -17.150
Base-Backbone interact. energy: -0.953
local terms energy: -39.521162
where:
bonds (distance) C4'-P energy: -7.877
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -11.628
flat angles P-C4'-P energy: -5.264
tors. eta vs tors. theta energy: -1.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -110.039543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.039543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.039543 (E_RNA)
where:
Base-Base interactions energy: -64.544
where: short stacking energy: -24.611
Base-Backbone interact. energy: -0.502
local terms energy: -44.993626
where:
bonds (distance) C4'-P energy: -11.714
bonds (distance) P-C4' energy: -12.574
flat angles C4'-P-C4' energy: -7.264
flat angles P-C4'-P energy: -8.818
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: 8, replica: 2
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -62.317227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.317227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.317227 (E_RNA)
where:
Base-Base interactions energy: -23.677
where: short stacking energy: -12.042
Base-Backbone interact. energy: -1.712
local terms energy: -36.927983
where:
bonds (distance) C4'-P energy: -10.697
bonds (distance) P-C4' energy: -11.085
flat angles C4'-P-C4' energy: -7.926
flat angles P-C4'-P energy: -8.749
tors. eta vs tors. theta energy: 1.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -60.546999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.546999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.546999 (E_RNA)
where:
Base-Base interactions energy: -16.336
where: short stacking energy: -16.336
Base-Backbone interact. energy: -0.077
local terms energy: -44.133674
where:
bonds (distance) C4'-P energy: -11.925
bonds (distance) P-C4' energy: -10.849
flat angles C4'-P-C4' energy: -8.302
flat angles P-C4'-P energy: -9.359
tors. eta vs tors. theta energy: -3.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -60.859897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.859897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.859897 (E_RNA)
where:
Base-Base interactions energy: -20.574
where: short stacking energy: -11.341
Base-Backbone interact. energy: -0.090
local terms energy: -40.195829
where:
bonds (distance) C4'-P energy: -13.379
bonds (distance) P-C4' energy: -11.249
flat angles C4'-P-C4' energy: -8.286
flat angles P-C4'-P energy: -4.858
tors. eta vs tors. theta energy: -2.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -179.717182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.717182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.717182 (E_RNA)
where:
Base-Base interactions energy: -113.788
where: short stacking energy: -46.990
Base-Backbone interact. energy: -0.005
local terms energy: -65.924538
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -12.874
flat angles C4'-P-C4' energy: -14.495
flat angles P-C4'-P energy: -9.049
tors. eta vs tors. theta energy: -16.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -174.507577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.507577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.507577 (E_RNA)
where:
Base-Base interactions energy: -111.421
where: short stacking energy: -43.642
Base-Backbone interact. energy: -0.029
local terms energy: -63.057429
where:
bonds (distance) C4'-P energy: -11.026
bonds (distance) P-C4' energy: -12.317
flat angles C4'-P-C4' energy: -12.909
flat angles P-C4'-P energy: -9.941
tors. eta vs tors. theta energy: -16.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -175.247110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.247110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.247110 (E_RNA)
where:
Base-Base interactions energy: -113.854
where: short stacking energy: -37.392
Base-Backbone interact. energy: -0.036
local terms energy: -61.356602
where:
bonds (distance) C4'-P energy: -15.399
bonds (distance) P-C4' energy: -10.126
flat angles C4'-P-C4' energy: -13.653
flat angles P-C4'-P energy: -8.259
tors. eta vs tors. theta energy: -13.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -166.428664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.428664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.428664 (E_RNA)
where:
Base-Base interactions energy: -109.201
where: short stacking energy: -44.356
Base-Backbone interact. energy: 2.072
local terms energy: -59.299762
where:
bonds (distance) C4'-P energy: -11.169
bonds (distance) P-C4' energy: -10.597
flat angles C4'-P-C4' energy: -12.121
flat angles P-C4'-P energy: -9.133
tors. eta vs tors. theta energy: -16.279
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: 7
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -168.746631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.746631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.746631 (E_RNA)
where:
Base-Base interactions energy: -112.489
where: short stacking energy: -47.223
Base-Backbone interact. energy: -0.241
local terms energy: -56.016276
where:
bonds (distance) C4'-P energy: -11.301
bonds (distance) P-C4' energy: -10.414
flat angles C4'-P-C4' energy: -13.170
flat angles P-C4'-P energy: -6.023
tors. eta vs tors. theta energy: -15.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -78.264339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.264339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.264339 (E_RNA)
where:
Base-Base interactions energy: -37.968
where: short stacking energy: -20.993
Base-Backbone interact. energy: -0.847
local terms energy: -39.449954
where:
bonds (distance) C4'-P energy: -10.655
bonds (distance) P-C4' energy: -12.466
flat angles C4'-P-C4' energy: -4.782
flat angles P-C4'-P energy: -10.083
tors. eta vs tors. theta energy: -1.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -70.959466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.959466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.959466 (E_RNA)
where:
Base-Base interactions energy: -26.978
where: short stacking energy: -16.271
Base-Backbone interact. energy: -0.147
local terms energy: -43.834972
where:
bonds (distance) C4'-P energy: -14.555
bonds (distance) P-C4' energy: -12.286
flat angles C4'-P-C4' energy: -10.822
flat angles P-C4'-P energy: -5.264
tors. eta vs tors. theta energy: -0.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -68.896606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.896606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.896606 (E_RNA)
where:
Base-Base interactions energy: -35.462
where: short stacking energy: -11.777
Base-Backbone interact. energy: -0.557
local terms energy: -32.877433
where:
bonds (distance) C4'-P energy: -14.054
bonds (distance) P-C4' energy: -11.436
flat angles C4'-P-C4' energy: -11.354
flat angles P-C4'-P energy: 1.270
tors. eta vs tors. theta energy: 2.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -69.098987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.098987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.098987 (E_RNA)
where:
Base-Base interactions energy: -40.635
where: short stacking energy: -18.696
Base-Backbone interact. energy: -0.833
local terms energy: -27.631795
where:
bonds (distance) C4'-P energy: -10.336
bonds (distance) P-C4' energy: -10.526
flat angles C4'-P-C4' energy: -7.079
flat angles P-C4'-P energy: -4.534
tors. eta vs tors. theta energy: 4.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -58.810188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.810188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.810188 (E_RNA)
where:
Base-Base interactions energy: -25.360
where: short stacking energy: -15.959
Base-Backbone interact. energy: -0.142
local terms energy: -33.307544
where:
bonds (distance) C4'-P energy: -6.246
bonds (distance) P-C4' energy: -12.732
flat angles C4'-P-C4' energy: -6.357
flat angles P-C4'-P energy: -7.658
tors. eta vs tors. theta energy: -0.313
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: 1, replica: 1
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -183.223037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.223037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.223037 (E_RNA)
where:
Base-Base interactions energy: -118.481
where: short stacking energy: -47.036
Base-Backbone interact. energy: -0.344
local terms energy: -64.398267
where:
bonds (distance) C4'-P energy: -11.977
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -11.804
flat angles P-C4'-P energy: -11.218
tors. eta vs tors. theta energy: -15.008
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: 8
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -182.516706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.516706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.516706 (E_RNA)
where:
Base-Base interactions energy: -116.274
where: short stacking energy: -46.971
Base-Backbone interact. energy: -0.293
local terms energy: -65.949998
where:
bonds (distance) C4'-P energy: -11.732
bonds (distance) P-C4' energy: -13.343
flat angles C4'-P-C4' energy: -14.571
flat angles P-C4'-P energy: -10.247
tors. eta vs tors. theta energy: -16.058
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: 3, replica: 6
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -174.198640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.198640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.198640 (E_RNA)
where:
Base-Base interactions energy: -110.800
where: short stacking energy: -45.378
Base-Backbone interact. energy: -0.020
local terms energy: -63.378536
where:
bonds (distance) C4'-P energy: -10.175
bonds (distance) P-C4' energy: -12.469
flat angles C4'-P-C4' energy: -13.192
flat angles P-C4'-P energy: -10.419
tors. eta vs tors. theta energy: -17.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -179.661613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.661613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.661613 (E_RNA)
where:
Base-Base interactions energy: -119.575
where: short stacking energy: -49.256
Base-Backbone interact. energy: -0.008
local terms energy: -60.078852
where:
bonds (distance) C4'-P energy: -13.382
bonds (distance) P-C4' energy: -10.536
flat angles C4'-P-C4' energy: -11.548
flat angles P-C4'-P energy: -7.801
tors. eta vs tors. theta energy: -16.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -167.835211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.835211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.835211 (E_RNA)
where:
Base-Base interactions energy: -106.289
where: short stacking energy: -39.695
Base-Backbone interact. energy: -1.017
local terms energy: -60.529515
where:
bonds (distance) C4'-P energy: -10.025
bonds (distance) P-C4' energy: -12.938
flat angles C4'-P-C4' energy: -12.261
flat angles P-C4'-P energy: -10.720
tors. eta vs tors. theta energy: -14.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -89.254378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.254378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.254378 (E_RNA)
where:
Base-Base interactions energy: -50.894
where: short stacking energy: -21.383
Base-Backbone interact. energy: -0.159
local terms energy: -38.201625
where:
bonds (distance) C4'-P energy: -11.422
bonds (distance) P-C4' energy: -12.193
flat angles C4'-P-C4' energy: -9.018
flat angles P-C4'-P energy: -5.197
tors. eta vs tors. theta energy: -0.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -61.258902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.258902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.258902 (E_RNA)
where:
Base-Base interactions energy: -28.715
where: short stacking energy: -17.626
Base-Backbone interact. energy: -0.186
local terms energy: -32.358309
where:
bonds (distance) C4'-P energy: -8.959
bonds (distance) P-C4' energy: -11.557
flat angles C4'-P-C4' energy: -6.078
flat angles P-C4'-P energy: -3.689
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: 269
Temperature: 1.250000
Total energy: -69.763734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.763734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.763734 (E_RNA)
where:
Base-Base interactions energy: -26.890
where: short stacking energy: -11.417
Base-Backbone interact. energy: -0.149
local terms energy: -42.724992
where:
bonds (distance) C4'-P energy: -11.967
bonds (distance) P-C4' energy: -12.883
flat angles C4'-P-C4' energy: -9.064
flat angles P-C4'-P energy: -8.074
tors. eta vs tors. theta energy: -0.737
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: 10
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -62.415484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.415484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.415484 (E_RNA)
where:
Base-Base interactions energy: -23.005
where: short stacking energy: -16.159
Base-Backbone interact. energy: -0.374
local terms energy: -39.036651
where:
bonds (distance) C4'-P energy: -9.670
bonds (distance) P-C4' energy: -13.067
flat angles C4'-P-C4' energy: -5.844
flat angles P-C4'-P energy: -9.603
tors. eta vs tors. theta energy: -0.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -59.224054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.224054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.224054 (E_RNA)
where:
Base-Base interactions energy: -23.423
where: short stacking energy: -15.888
Base-Backbone interact. energy: -0.322
local terms energy: -35.478543
where:
bonds (distance) C4'-P energy: -13.533
bonds (distance) P-C4' energy: -9.073
flat angles C4'-P-C4' energy: -4.621
flat angles P-C4'-P energy: -4.696
tors. eta vs tors. theta energy: -3.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -181.466880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.466880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.466880 (E_RNA)
where:
Base-Base interactions energy: -115.964
where: short stacking energy: -51.550
Base-Backbone interact. energy: -0.010
local terms energy: -65.492076
where:
bonds (distance) C4'-P energy: -12.439
bonds (distance) P-C4' energy: -12.014
flat angles C4'-P-C4' energy: -13.346
flat angles P-C4'-P energy: -11.045
tors. eta vs tors. theta energy: -16.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -179.885253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.885253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.885253 (E_RNA)
where:
Base-Base interactions energy: -116.042
where: short stacking energy: -50.928
Base-Backbone interact. energy: -0.001
local terms energy: -63.842641
where:
bonds (distance) C4'-P energy: -8.950
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -11.923
flat angles P-C4'-P energy: -9.655
tors. eta vs tors. theta energy: -18.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -176.865912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.865912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.865912 (E_RNA)
where:
Base-Base interactions energy: -112.878
where: short stacking energy: -48.231
Base-Backbone interact. energy: -0.009
local terms energy: -63.978300
where:
bonds (distance) C4'-P energy: -13.175
bonds (distance) P-C4' energy: -11.365
flat angles C4'-P-C4' energy: -12.208
flat angles P-C4'-P energy: -8.789
tors. eta vs tors. theta energy: -18.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -165.775963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.775963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.775963 (E_RNA)
where:
Base-Base interactions energy: -104.565
where: short stacking energy: -41.574
Base-Backbone interact. energy: -0.079
local terms energy: -61.132234
where:
bonds (distance) C4'-P energy: -11.251
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -10.959
flat angles P-C4'-P energy: -10.355
tors. eta vs tors. theta energy: -13.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -164.602607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.602607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.602607 (E_RNA)
where:
Base-Base interactions energy: -109.062
where: short stacking energy: -42.187
Base-Backbone interact. energy: -0.032
local terms energy: -55.508544
where:
bonds (distance) C4'-P energy: -12.034
bonds (distance) P-C4' energy: -9.418
flat angles C4'-P-C4' energy: -11.341
flat angles P-C4'-P energy: -7.542
tors. eta vs tors. theta energy: -15.174
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: 6, replica: 2
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -61.021443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.021443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.021443 (E_RNA)
where:
Base-Base interactions energy: -14.499
where: short stacking energy: -14.499
Base-Backbone interact. energy: -0.091
local terms energy: -46.430720
where:
bonds (distance) C4'-P energy: -10.344
bonds (distance) P-C4' energy: -12.052
flat angles C4'-P-C4' energy: -10.964
flat angles P-C4'-P energy: -9.151
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: 7, replica: 5
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -102.849520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.849520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.849520 (E_RNA)
where:
Base-Base interactions energy: -56.159
where: short stacking energy: -14.722
Base-Backbone interact. energy: -1.100
local terms energy: -45.591314
where:
bonds (distance) C4'-P energy: -9.160
bonds (distance) P-C4' energy: -13.959
flat angles C4'-P-C4' energy: -10.662
flat angles P-C4'-P energy: -9.683
tors. eta vs tors. theta energy: -2.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -57.271379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.271379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.271379 (E_RNA)
where:
Base-Base interactions energy: -13.917
where: short stacking energy: -5.497
Base-Backbone interact. energy: 0.126
local terms energy: -43.480967
where:
bonds (distance) C4'-P energy: -14.307
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -12.404
flat angles P-C4'-P energy: -5.694
tors. eta vs tors. theta energy: 2.865
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: 9, replica: 10
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -60.208993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.208993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.208993 (E_RNA)
where:
Base-Base interactions energy: -19.264
where: short stacking energy: -15.171
Base-Backbone interact. energy: -0.165
local terms energy: -40.779403
where:
bonds (distance) C4'-P energy: -11.189
bonds (distance) P-C4' energy: -13.212
flat angles C4'-P-C4' energy: -10.046
flat angles P-C4'-P energy: -6.873
tors. eta vs tors. theta energy: 0.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -70.429156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.429156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.429156 (E_RNA)
where:
Base-Base interactions energy: -28.184
where: short stacking energy: -9.699
Base-Backbone interact. energy: -0.326
local terms energy: -41.918886
where:
bonds (distance) C4'-P energy: -12.079
bonds (distance) P-C4' energy: -12.137
flat angles C4'-P-C4' energy: -10.686
flat angles P-C4'-P energy: -9.141
tors. eta vs tors. theta energy: 2.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -180.963779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.963779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.963779 (E_RNA)
where:
Base-Base interactions energy: -117.438
where: short stacking energy: -49.081
Base-Backbone interact. energy: -0.027
local terms energy: -63.498366
where:
bonds (distance) C4'-P energy: -9.104
bonds (distance) P-C4' energy: -13.220
flat angles C4'-P-C4' energy: -14.608
flat angles P-C4'-P energy: -10.183
tors. eta vs tors. theta energy: -16.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -178.761553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.761553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.761553 (E_RNA)
where:
Base-Base interactions energy: -118.867
where: short stacking energy: -45.910
Base-Backbone interact. energy: -0.001
local terms energy: -59.893464
where:
bonds (distance) C4'-P energy: -14.617
bonds (distance) P-C4' energy: -9.520
flat angles C4'-P-C4' energy: -11.601
flat angles P-C4'-P energy: -6.273
tors. eta vs tors. theta energy: -17.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -172.754585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.754585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.754585 (E_RNA)
where:
Base-Base interactions energy: -111.467
where: short stacking energy: -43.729
Base-Backbone interact. energy: -0.014
local terms energy: -61.273362
where:
bonds (distance) C4'-P energy: -13.578
bonds (distance) P-C4' energy: -9.456
flat angles C4'-P-C4' energy: -11.951
flat angles P-C4'-P energy: -9.475
tors. eta vs tors. theta energy: -16.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -168.295780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.295780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.295780 (E_RNA)
where:
Base-Base interactions energy: -112.752
where: short stacking energy: -42.585
Base-Backbone interact. energy: -0.074
local terms energy: -55.470200
where:
bonds (distance) C4'-P energy: -10.643
bonds (distance) P-C4' energy: -8.871
flat angles C4'-P-C4' energy: -14.280
flat angles P-C4'-P energy: -4.267
tors. eta vs tors. theta energy: -17.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -166.146458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.146458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.146458 (E_RNA)
where:
Base-Base interactions energy: -106.347
where: short stacking energy: -44.742
Base-Backbone interact. energy: 0.871
local terms energy: -60.670064
where:
bonds (distance) C4'-P energy: -10.965
bonds (distance) P-C4' energy: -15.365
flat angles C4'-P-C4' energy: -9.057
flat angles P-C4'-P energy: -9.469
tors. eta vs tors. theta energy: -15.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -75.619253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.619253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.619253 (E_RNA)
where:
Base-Base interactions energy: -31.291
where: short stacking energy: -21.773
Base-Backbone interact. energy: 0.049
local terms energy: -44.377304
where:
bonds (distance) C4'-P energy: -12.219
bonds (distance) P-C4' energy: -4.336
flat angles C4'-P-C4' energy: -10.259
flat angles P-C4'-P energy: -9.269
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: 2
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -76.478884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.478884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.478884 (E_RNA)
where:
Base-Base interactions energy: -31.830
where: short stacking energy: -22.613
Base-Backbone interact. energy: -0.306
local terms energy: -44.343274
where:
bonds (distance) C4'-P energy: -11.360
bonds (distance) P-C4' energy: -12.711
flat angles C4'-P-C4' energy: -10.132
flat angles P-C4'-P energy: -7.747
tors. eta vs tors. theta energy: -2.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -78.183166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.183166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.183166 (E_RNA)
where:
Base-Base interactions energy: -48.277
where: short stacking energy: -17.724
Base-Backbone interact. energy: -0.264
local terms energy: -29.641929
where:
bonds (distance) C4'-P energy: -10.766
bonds (distance) P-C4' energy: -11.129
flat angles C4'-P-C4' energy: -4.494
flat angles P-C4'-P energy: -3.008
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: 9, replica: 9
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -61.464280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.464280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.464280 (E_RNA)
where:
Base-Base interactions energy: -16.623
where: short stacking energy: -16.623
Base-Backbone interact. energy: -0.159
local terms energy: -44.682283
where:
bonds (distance) C4'-P energy: -11.243
bonds (distance) P-C4' energy: -14.886
flat angles C4'-P-C4' energy: -9.116
flat angles P-C4'-P energy: -8.513
tors. eta vs tors. theta energy: -0.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -62.424083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.424083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.424083 (E_RNA)
where:
Base-Base interactions energy: -21.554
where: short stacking energy: -20.681
Base-Backbone interact. energy: -0.042
local terms energy: -40.827945
where:
bonds (distance) C4'-P energy: -12.182
bonds (distance) P-C4' energy: -6.692
flat angles C4'-P-C4' energy: -9.074
flat angles P-C4'-P energy: -5.980
tors. eta vs tors. theta energy: -6.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -185.299401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.299401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.299401 (E_RNA)
where:
Base-Base interactions energy: -120.550
where: short stacking energy: -52.933
Base-Backbone interact. energy: -0.002
local terms energy: -64.747807
where:
bonds (distance) C4'-P energy: -12.564
bonds (distance) P-C4' energy: -12.527
flat angles C4'-P-C4' energy: -13.731
flat angles P-C4'-P energy: -9.570
tors. eta vs tors. theta energy: -16.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -178.270317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.270317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.270317 (E_RNA)
where:
Base-Base interactions energy: -111.401
where: short stacking energy: -48.787
Base-Backbone interact. energy: -0.002
local terms energy: -66.867198
where:
bonds (distance) C4'-P energy: -12.510
bonds (distance) P-C4' energy: -13.511
flat angles C4'-P-C4' energy: -14.823
flat angles P-C4'-P energy: -9.415
tors. eta vs tors. theta energy: -16.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -172.393892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.393892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.393892 (E_RNA)
where:
Base-Base interactions energy: -116.053
where: short stacking energy: -46.342
Base-Backbone interact. energy: -0.019
local terms energy: -56.322036
where:
bonds (distance) C4'-P energy: -9.180
bonds (distance) P-C4' energy: -11.063
flat angles C4'-P-C4' energy: -10.732
flat angles P-C4'-P energy: -9.802
tors. eta vs tors. theta energy: -15.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -170.950571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.950571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.950571 (E_RNA)
where:
Base-Base interactions energy: -116.016
where: short stacking energy: -42.310
Base-Backbone interact. energy: -0.066
local terms energy: -54.867977
where:
bonds (distance) C4'-P energy: -12.096
bonds (distance) P-C4' energy: -12.130
flat angles C4'-P-C4' energy: -6.934
flat angles P-C4'-P energy: -9.256
tors. eta vs tors. theta energy: -14.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -158.455701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.455701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.455701 (E_RNA)
where:
Base-Base interactions energy: -109.978
where: short stacking energy: -39.634
Base-Backbone interact. energy: -0.639
local terms energy: -47.839054
where:
bonds (distance) C4'-P energy: -6.528
bonds (distance) P-C4' energy: -3.483
flat angles C4'-P-C4' energy: -13.622
flat angles P-C4'-P energy: -8.494
tors. eta vs tors. theta energy: -15.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -59.314825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.314825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.314825 (E_RNA)
where:
Base-Base interactions energy: -22.598
where: short stacking energy: -6.543
Base-Backbone interact. energy: -0.193
local terms energy: -36.523835
where:
bonds (distance) C4'-P energy: -11.595
bonds (distance) P-C4' energy: -11.352
flat angles C4'-P-C4' energy: -11.530
flat angles P-C4'-P energy: -5.171
tors. eta vs tors. theta energy: 3.125
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: 10
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -66.115274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.115274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.115274 (E_RNA)
where:
Base-Base interactions energy: -23.405
where: short stacking energy: -23.405
Base-Backbone interact. energy: -0.014
local terms energy: -42.696387
where:
bonds (distance) C4'-P energy: -9.111
bonds (distance) P-C4' energy: -12.806
flat angles C4'-P-C4' energy: -9.421
flat angles P-C4'-P energy: -6.073
tors. eta vs tors. theta energy: -5.285
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: 2
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -57.383456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.383456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.383456 (E_RNA)
where:
Base-Base interactions energy: -18.316
where: short stacking energy: -18.316
Base-Backbone interact. energy: -0.293
local terms energy: -38.774642
where:
bonds (distance) C4'-P energy: -11.959
bonds (distance) P-C4' energy: -11.242
flat angles C4'-P-C4' energy: -10.962
flat angles P-C4'-P energy: -5.519
tors. eta vs tors. theta energy: 0.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -63.257404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.257404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.257404 (E_RNA)
where:
Base-Base interactions energy: -20.932
where: short stacking energy: -13.825
Base-Backbone interact. energy: -0.493
local terms energy: -41.832534
where:
bonds (distance) C4'-P energy: -11.127
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -13.183
flat angles P-C4'-P energy: -7.834
tors. eta vs tors. theta energy: 4.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -56.540337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.540337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.540337 (E_RNA)
where:
Base-Base interactions energy: -23.071
where: short stacking energy: -13.084
Base-Backbone interact. energy: -0.197
local terms energy: -33.271767
where:
bonds (distance) C4'-P energy: -8.047
bonds (distance) P-C4' energy: -11.283
flat angles C4'-P-C4' energy: -8.325
flat angles P-C4'-P energy: -6.312
tors. eta vs tors. theta energy: 0.695
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: 1, replica: 8
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -178.675102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.675102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.675102 (E_RNA)
where:
Base-Base interactions energy: -110.174
where: short stacking energy: -41.825
Base-Backbone interact. energy: -0.376
local terms energy: -68.124626
where:
bonds (distance) C4'-P energy: -14.571
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -13.702
flat angles P-C4'-P energy: -10.881
tors. eta vs tors. theta energy: -14.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -181.263821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.263821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.263821 (E_RNA)
where:
Base-Base interactions energy: -122.077
where: short stacking energy: -42.411
Base-Backbone interact. energy: -0.025
local terms energy: -59.161735
where:
bonds (distance) C4'-P energy: -12.216
bonds (distance) P-C4' energy: -12.616
flat angles C4'-P-C4' energy: -9.572
flat angles P-C4'-P energy: -8.750
tors. eta vs tors. theta energy: -16.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -177.712204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.712204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.712204 (E_RNA)
where:
Base-Base interactions energy: -113.480
where: short stacking energy: -43.944
Base-Backbone interact. energy: -0.035
local terms energy: -64.197835
where:
bonds (distance) C4'-P energy: -13.470
bonds (distance) P-C4' energy: -13.803
flat angles C4'-P-C4' energy: -10.149
flat angles P-C4'-P energy: -9.831
tors. eta vs tors. theta energy: -16.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -168.571132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.571132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.571132 (E_RNA)
where:
Base-Base interactions energy: -111.093
where: short stacking energy: -30.998
Base-Backbone interact. energy: -0.223
local terms energy: -57.256015
where:
bonds (distance) C4'-P energy: -10.005
bonds (distance) P-C4' energy: -10.991
flat angles C4'-P-C4' energy: -13.040
flat angles P-C4'-P energy: -7.524
tors. eta vs tors. theta energy: -15.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -163.070379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.070379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.070379 (E_RNA)
where:
Base-Base interactions energy: -108.734
where: short stacking energy: -45.053
Base-Backbone interact. energy: -0.050
local terms energy: -54.287178
where:
bonds (distance) C4'-P energy: -11.418
bonds (distance) P-C4' energy: -8.706
flat angles C4'-P-C4' energy: -13.161
flat angles P-C4'-P energy: -4.533
tors. eta vs tors. theta energy: -16.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -70.500557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.500557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.500557 (E_RNA)
where:
Base-Base interactions energy: -26.789
where: short stacking energy: -26.789
Base-Backbone interact. energy: 1.682
local terms energy: -45.394015
where:
bonds (distance) C4'-P energy: -8.615
bonds (distance) P-C4' energy: -13.745
flat angles C4'-P-C4' energy: -8.701
flat angles P-C4'-P energy: -5.849
tors. eta vs tors. theta energy: -8.484
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: 5
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -73.892412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.892412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.892412 (E_RNA)
where:
Base-Base interactions energy: -38.177
where: short stacking energy: -15.942
Base-Backbone interact. energy: 0.374
local terms energy: -36.089321
where:
bonds (distance) C4'-P energy: -8.648
bonds (distance) P-C4' energy: -8.334
flat angles C4'-P-C4' energy: -7.254
flat angles P-C4'-P energy: -8.087
tors. eta vs tors. theta energy: -3.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -61.662013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.662013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.662013 (E_RNA)
where:
Base-Base interactions energy: -18.645
where: short stacking energy: -12.170
Base-Backbone interact. energy: -0.478
local terms energy: -42.538484
where:
bonds (distance) C4'-P energy: -13.914
bonds (distance) P-C4' energy: -11.982
flat angles C4'-P-C4' energy: -11.710
flat angles P-C4'-P energy: -8.673
tors. eta vs tors. theta energy: 3.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -71.395934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.395934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.395934 (E_RNA)
where:
Base-Base interactions energy: -28.525
where: short stacking energy: -13.991
Base-Backbone interact. energy: -0.499
local terms energy: -42.372674
where:
bonds (distance) C4'-P energy: -8.668
bonds (distance) P-C4' energy: -11.204
flat angles C4'-P-C4' energy: -13.638
flat angles P-C4'-P energy: -5.850
tors. eta vs tors. theta energy: -3.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -60.513719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.513719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.513719 (E_RNA)
where:
Base-Base interactions energy: -18.990
where: short stacking energy: -11.510
Base-Backbone interact. energy: -0.139
local terms energy: -41.384880
where:
bonds (distance) C4'-P energy: -11.935
bonds (distance) P-C4' energy: -10.856
flat angles C4'-P-C4' energy: -7.065
flat angles P-C4'-P energy: -6.935
tors. eta vs tors. theta energy: -4.594
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: 6
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -178.736795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.736795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.736795 (E_RNA)
where:
Base-Base interactions energy: -115.733
where: short stacking energy: -47.317
Base-Backbone interact. energy: -0.022
local terms energy: -62.982174
where:
bonds (distance) C4'-P energy: -13.459
bonds (distance) P-C4' energy: -10.305
flat angles C4'-P-C4' energy: -12.580
flat angles P-C4'-P energy: -10.227
tors. eta vs tors. theta energy: -16.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -178.665125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.665125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.665125 (E_RNA)
where:
Base-Base interactions energy: -122.097
where: short stacking energy: -45.982
Base-Backbone interact. energy: -0.335
local terms energy: -56.233465
where:
bonds (distance) C4'-P energy: -9.902
bonds (distance) P-C4' energy: -12.152
flat angles C4'-P-C4' energy: -14.097
flat angles P-C4'-P energy: -6.521
tors. eta vs tors. theta energy: -13.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -174.765635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.765635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.765635 (E_RNA)
where:
Base-Base interactions energy: -107.503
where: short stacking energy: -45.484
Base-Backbone interact. energy: -0.026
local terms energy: -67.237178
where:
bonds (distance) C4'-P energy: -12.622
bonds (distance) P-C4' energy: -12.390
flat angles C4'-P-C4' energy: -14.428
flat angles P-C4'-P energy: -10.747
tors. eta vs tors. theta energy: -17.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -170.691833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.691833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.691833 (E_RNA)
where:
Base-Base interactions energy: -115.914
where: short stacking energy: -42.931
Base-Backbone interact. energy: -0.003
local terms energy: -54.775518
where:
bonds (distance) C4'-P energy: -8.891
bonds (distance) P-C4' energy: -13.328
flat angles C4'-P-C4' energy: -12.417
flat angles P-C4'-P energy: -5.696
tors. eta vs tors. theta energy: -14.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -167.329121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.329121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.329121 (E_RNA)
where:
Base-Base interactions energy: -113.425
where: short stacking energy: -43.317
Base-Backbone interact. energy: -0.002
local terms energy: -53.902703
where:
bonds (distance) C4'-P energy: -7.607
bonds (distance) P-C4' energy: -12.715
flat angles C4'-P-C4' energy: -10.861
flat angles P-C4'-P energy: -5.781
tors. eta vs tors. theta energy: -16.939
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: 10
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -75.526042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.526042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.526042 (E_RNA)
where:
Base-Base interactions energy: -34.165
where: short stacking energy: -17.146
Base-Backbone interact. energy: -0.152
local terms energy: -41.208549
where:
bonds (distance) C4'-P energy: -13.015
bonds (distance) P-C4' energy: -10.737
flat angles C4'-P-C4' energy: -12.022
flat angles P-C4'-P energy: -5.255
tors. eta vs tors. theta energy: -0.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -77.467780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.467780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.467780 (E_RNA)
where:
Base-Base interactions energy: -43.342
where: short stacking energy: -13.624
Base-Backbone interact. energy: -0.399
local terms energy: -33.726573
where:
bonds (distance) C4'-P energy: -12.228
bonds (distance) P-C4' energy: -9.607
flat angles C4'-P-C4' energy: -11.800
flat angles P-C4'-P energy: -5.357
tors. eta vs tors. theta energy: 5.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -85.240218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.240218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.240218 (E_RNA)
where:
Base-Base interactions energy: -42.768
where: short stacking energy: -21.121
Base-Backbone interact. energy: -0.301
local terms energy: -42.171124
where:
bonds (distance) C4'-P energy: -11.536
bonds (distance) P-C4' energy: -13.116
flat angles C4'-P-C4' energy: -7.703
flat angles P-C4'-P energy: -8.302
tors. eta vs tors. theta energy: -1.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -69.738202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.738202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.738202 (E_RNA)
where:
Base-Base interactions energy: -24.296
where: short stacking energy: -19.347
Base-Backbone interact. energy: 0.408
local terms energy: -45.849756
where:
bonds (distance) C4'-P energy: -12.726
bonds (distance) P-C4' energy: -13.378
flat angles C4'-P-C4' energy: -8.113
flat angles P-C4'-P energy: -4.393
tors. eta vs tors. theta energy: -7.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -58.829447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.829447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.829447 (E_RNA)
where:
Base-Base interactions energy: -24.940
where: short stacking energy: -13.171
Base-Backbone interact. energy: 0.171
local terms energy: -34.060569
where:
bonds (distance) C4'-P energy: -8.941
bonds (distance) P-C4' energy: -9.636
flat angles C4'-P-C4' energy: -12.414
flat angles P-C4'-P energy: -2.782
tors. eta vs tors. theta energy: -0.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -182.519713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.519713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.519713 (E_RNA)
where:
Base-Base interactions energy: -116.904
where: short stacking energy: -43.645
Base-Backbone interact. energy: -1.544
local terms energy: -64.071284
where:
bonds (distance) C4'-P energy: -11.860
bonds (distance) P-C4' energy: -11.330
flat angles C4'-P-C4' energy: -13.909
flat angles P-C4'-P energy: -10.343
tors. eta vs tors. theta energy: -16.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -175.595108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.595108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.595108 (E_RNA)
where:
Base-Base interactions energy: -113.622
where: short stacking energy: -40.911
Base-Backbone interact. energy: -0.005
local terms energy: -61.968125
where:
bonds (distance) C4'-P energy: -8.950
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -11.653
flat angles P-C4'-P energy: -8.381
tors. eta vs tors. theta energy: -18.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -171.041412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.041412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.041412 (E_RNA)
where:
Base-Base interactions energy: -107.419
where: short stacking energy: -39.156
Base-Backbone interact. energy: -0.511
local terms energy: -63.111857
where:
bonds (distance) C4'-P energy: -12.282
bonds (distance) P-C4' energy: -12.837
flat angles C4'-P-C4' energy: -12.357
flat angles P-C4'-P energy: -11.651
tors. eta vs tors. theta energy: -13.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -175.426298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.426298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.426298 (E_RNA)
where:
Base-Base interactions energy: -110.860
where: short stacking energy: -43.537
Base-Backbone interact. energy: -0.056
local terms energy: -64.510931
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -12.836
flat angles P-C4'-P energy: -8.233
tors. eta vs tors. theta energy: -14.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -166.409403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.409403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.409403 (E_RNA)
where:
Base-Base interactions energy: -113.889
where: short stacking energy: -41.746
Base-Backbone interact. energy: -0.034
local terms energy: -52.486442
where:
bonds (distance) C4'-P energy: -7.409
bonds (distance) P-C4' energy: -9.825
flat angles C4'-P-C4' energy: -9.731
flat angles P-C4'-P energy: -10.657
tors. eta vs tors. theta energy: -14.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -76.739581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.739581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.739581 (E_RNA)
where:
Base-Base interactions energy: -37.712
where: short stacking energy: -21.322
Base-Backbone interact. energy: -0.129
local terms energy: -38.898695
where:
bonds (distance) C4'-P energy: -9.007
bonds (distance) P-C4' energy: -11.750
flat angles C4'-P-C4' energy: -12.806
flat angles P-C4'-P energy: -7.185
tors. eta vs tors. theta energy: 1.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -62.844228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.844228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.844228 (E_RNA)
where:
Base-Base interactions energy: -18.484
where: short stacking energy: -18.484
Base-Backbone interact. energy: 0.425
local terms energy: -44.784615
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -12.154
flat angles P-C4'-P energy: 0.191
tors. eta vs tors. theta energy: -5.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -64.282622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.282622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.282622 (E_RNA)
where:
Base-Base interactions energy: -24.288
where: short stacking energy: -10.205
Base-Backbone interact. energy: -0.039
local terms energy: -39.955635
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -13.493
flat angles C4'-P-C4' energy: -7.325
flat angles P-C4'-P energy: -7.631
tors. eta vs tors. theta energy: 0.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -58.713703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.713703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.713703 (E_RNA)
where:
Base-Base interactions energy: -21.709
where: short stacking energy: -14.511
Base-Backbone interact. energy: -0.102
local terms energy: -36.903125
where:
bonds (distance) C4'-P energy: -12.095
bonds (distance) P-C4' energy: -9.996
flat angles C4'-P-C4' energy: -9.090
flat angles P-C4'-P energy: -4.435
tors. eta vs tors. theta energy: -1.287
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: 275
Temperature: 1.350000
Total energy: -58.878690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.878690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.878690 (E_RNA)
where:
Base-Base interactions energy: -23.402
where: short stacking energy: -14.486
Base-Backbone interact. energy: -0.134
local terms energy: -35.342198
where:
bonds (distance) C4'-P energy: -8.630
bonds (distance) P-C4' energy: -11.424
flat angles C4'-P-C4' energy: -9.685
flat angles P-C4'-P energy: -0.510
tors. eta vs tors. theta energy: -5.093
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: 3
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -180.593943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.593943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.593943 (E_RNA)
where:
Base-Base interactions energy: -119.006
where: short stacking energy: -52.366
Base-Backbone interact. energy: -0.001
local terms energy: -61.587891
where:
bonds (distance) C4'-P energy: -12.323
bonds (distance) P-C4' energy: -8.910
flat angles C4'-P-C4' energy: -15.397
flat angles P-C4'-P energy: -9.137
tors. eta vs tors. theta energy: -15.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -176.659925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.659925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.659925 (E_RNA)
where:
Base-Base interactions energy: -115.989
where: short stacking energy: -44.708
Base-Backbone interact. energy: 1.262
local terms energy: -61.932464
where:
bonds (distance) C4'-P energy: -11.673
bonds (distance) P-C4' energy: -12.529
flat angles C4'-P-C4' energy: -13.407
flat angles P-C4'-P energy: -8.879
tors. eta vs tors. theta energy: -15.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -172.229166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.229166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.229166 (E_RNA)
where:
Base-Base interactions energy: -115.309
where: short stacking energy: -42.202
Base-Backbone interact. energy: -0.441
local terms energy: -56.479135
where:
bonds (distance) C4'-P energy: -12.042
bonds (distance) P-C4' energy: -11.714
flat angles C4'-P-C4' energy: -8.554
flat angles P-C4'-P energy: -8.567
tors. eta vs tors. theta energy: -15.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -150.854106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.854106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.854106 (E_RNA)
where:
Base-Base interactions energy: -92.965
where: short stacking energy: -32.421
Base-Backbone interact. energy: 1.121
local terms energy: -59.010137
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -11.396
flat angles C4'-P-C4' energy: -12.453
flat angles P-C4'-P energy: -7.852
tors. eta vs tors. theta energy: -14.104
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: 276
Temperature: 1.100000
Total energy: -176.164743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.164743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.164743 (E_RNA)
where:
Base-Base interactions energy: -113.080
where: short stacking energy: -44.639
Base-Backbone interact. energy: -0.009
local terms energy: -63.076003
where:
bonds (distance) C4'-P energy: -11.537
bonds (distance) P-C4' energy: -13.871
flat angles C4'-P-C4' energy: -11.719
flat angles P-C4'-P energy: -9.560
tors. eta vs tors. theta energy: -16.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -81.021526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.021526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.021526 (E_RNA)
where:
Base-Base interactions energy: -35.592
where: short stacking energy: -24.516
Base-Backbone interact. energy: -0.111
local terms energy: -45.318716
where:
bonds (distance) C4'-P energy: -12.083
bonds (distance) P-C4' energy: -10.619
flat angles C4'-P-C4' energy: -11.597
flat angles P-C4'-P energy: -5.191
tors. eta vs tors. theta energy: -5.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -77.102585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.102585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.102585 (E_RNA)
where:
Base-Base interactions energy: -30.560
where: short stacking energy: -19.573
Base-Backbone interact. energy: 1.049
local terms energy: -47.591814
where:
bonds (distance) C4'-P energy: -10.059
bonds (distance) P-C4' energy: -15.834
flat angles C4'-P-C4' energy: -12.142
flat angles P-C4'-P energy: -7.540
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: 8, replica: 4
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -71.631298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.631298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.631298 (E_RNA)
where:
Base-Base interactions energy: -24.428
where: short stacking energy: -24.295
Base-Backbone interact. energy: -0.108
local terms energy: -47.095487
where:
bonds (distance) C4'-P energy: -7.799
bonds (distance) P-C4' energy: -11.493
flat angles C4'-P-C4' energy: -10.104
flat angles P-C4'-P energy: -9.507
tors. eta vs tors. theta energy: -8.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -67.265507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.265507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.265507 (E_RNA)
where:
Base-Base interactions energy: -29.010
where: short stacking energy: -22.837
Base-Backbone interact. energy: 1.534
local terms energy: -39.788739
where:
bonds (distance) C4'-P energy: -6.893
bonds (distance) P-C4' energy: -14.214
flat angles C4'-P-C4' energy: -11.265
flat angles P-C4'-P energy: -6.903
tors. eta vs tors. theta energy: -0.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -63.400691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.400691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.400691 (E_RNA)
where:
Base-Base interactions energy: -19.418
where: short stacking energy: -19.418
Base-Backbone interact. energy: -0.150
local terms energy: -43.833243
where:
bonds (distance) C4'-P energy: -12.990
bonds (distance) P-C4' energy: -14.138
flat angles C4'-P-C4' energy: -6.579
flat angles P-C4'-P energy: -5.324
tors. eta vs tors. theta energy: -4.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -179.821692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.821692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.821692 (E_RNA)
where:
Base-Base interactions energy: -115.812
where: short stacking energy: -46.831
Base-Backbone interact. energy: -0.008
local terms energy: -64.001759
where:
bonds (distance) C4'-P energy: -10.820
bonds (distance) P-C4' energy: -11.064
flat angles C4'-P-C4' energy: -13.572
flat angles P-C4'-P energy: -11.675
tors. eta vs tors. theta energy: -16.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -174.106758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.106758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.106758 (E_RNA)
where:
Base-Base interactions energy: -111.115
where: short stacking energy: -45.201
Base-Backbone interact. energy: -0.011
local terms energy: -62.981652
where:
bonds (distance) C4'-P energy: -9.834
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -12.853
flat angles P-C4'-P energy: -11.378
tors. eta vs tors. theta energy: -14.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -172.868388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.868388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.868388 (E_RNA)
where:
Base-Base interactions energy: -109.730
where: short stacking energy: -43.239
Base-Backbone interact. energy: -0.003
local terms energy: -63.135363
where:
bonds (distance) C4'-P energy: -11.571
bonds (distance) P-C4' energy: -12.481
flat angles C4'-P-C4' energy: -12.571
flat angles P-C4'-P energy: -10.800
tors. eta vs tors. theta energy: -15.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -166.954421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.954421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.954421 (E_RNA)
where:
Base-Base interactions energy: -108.619
where: short stacking energy: -42.037
Base-Backbone interact. energy: -0.103
local terms energy: -58.232117
where:
bonds (distance) C4'-P energy: -11.694
bonds (distance) P-C4' energy: -13.416
flat angles C4'-P-C4' energy: -11.210
flat angles P-C4'-P energy: -6.075
tors. eta vs tors. theta energy: -15.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -156.950471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.950471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.950471 (E_RNA)
where:
Base-Base interactions energy: -101.717
where: short stacking energy: -36.291
Base-Backbone interact. energy: -0.122
local terms energy: -55.112032
where:
bonds (distance) C4'-P energy: -13.583
bonds (distance) P-C4' energy: -10.720
flat angles C4'-P-C4' energy: -12.575
flat angles P-C4'-P energy: -5.670
tors. eta vs tors. theta energy: -12.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -72.835846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.835846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.835846 (E_RNA)
where:
Base-Base interactions energy: -32.358
where: short stacking energy: -13.716
Base-Backbone interact. energy: 0.181
local terms energy: -40.658694
where:
bonds (distance) C4'-P energy: -13.330
bonds (distance) P-C4' energy: -11.545
flat angles C4'-P-C4' energy: -4.719
flat angles P-C4'-P energy: -5.575
tors. eta vs tors. theta energy: -5.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -71.023378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.023378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.023378 (E_RNA)
where:
Base-Base interactions energy: -25.399
where: short stacking energy: -19.235
Base-Backbone interact. energy: -0.730
local terms energy: -44.894456
where:
bonds (distance) C4'-P energy: -12.643
bonds (distance) P-C4' energy: -7.675
flat angles C4'-P-C4' energy: -9.892
flat angles P-C4'-P energy: -8.768
tors. eta vs tors. theta energy: -5.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -62.221873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.221873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.221873 (E_RNA)
where:
Base-Base interactions energy: -20.179
where: short stacking energy: -19.629
Base-Backbone interact. energy: -0.090
local terms energy: -41.952554
where:
bonds (distance) C4'-P energy: -8.843
bonds (distance) P-C4' energy: -12.656
flat angles C4'-P-C4' energy: -12.351
flat angles P-C4'-P energy: -7.661
tors. eta vs tors. theta energy: -0.443
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: 4
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -57.515134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.515134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.515134 (E_RNA)
where:
Base-Base interactions energy: -12.448
where: short stacking energy: -7.859
Base-Backbone interact. energy: -0.008
local terms energy: -45.060060
where:
bonds (distance) C4'-P energy: -11.669
bonds (distance) P-C4' energy: -12.779
flat angles C4'-P-C4' energy: -13.229
flat angles P-C4'-P energy: -6.251
tors. eta vs tors. theta energy: -1.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -55.879022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.879022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.879022 (E_RNA)
where:
Base-Base interactions energy: -22.064
where: short stacking energy: -16.177
Base-Backbone interact. energy: 1.045
local terms energy: -34.859581
where:
bonds (distance) C4'-P energy: -8.254
bonds (distance) P-C4' energy: -10.890
flat angles C4'-P-C4' energy: -12.796
flat angles P-C4'-P energy: -1.249
tors. eta vs tors. theta energy: -1.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -179.721737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.721737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.721737 (E_RNA)
where:
Base-Base interactions energy: -117.989
where: short stacking energy: -47.310
Base-Backbone interact. energy: -0.084
local terms energy: -61.648022
where:
bonds (distance) C4'-P energy: -12.166
bonds (distance) P-C4' energy: -12.986
flat angles C4'-P-C4' energy: -12.945
flat angles P-C4'-P energy: -7.396
tors. eta vs tors. theta energy: -16.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -177.582584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.582584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.582584 (E_RNA)
where:
Base-Base interactions energy: -112.648
where: short stacking energy: -44.521
Base-Backbone interact. energy: -0.015
local terms energy: -64.919881
where:
bonds (distance) C4'-P energy: -14.269
bonds (distance) P-C4' energy: -11.331
flat angles C4'-P-C4' energy: -14.130
flat angles P-C4'-P energy: -8.729
tors. eta vs tors. theta energy: -16.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -157.240292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.240292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.240292 (E_RNA)
where:
Base-Base interactions energy: -96.826
where: short stacking energy: -38.180
Base-Backbone interact. energy: -0.007
local terms energy: -60.406377
where:
bonds (distance) C4'-P energy: -11.728
bonds (distance) P-C4' energy: -12.267
flat angles C4'-P-C4' energy: -13.227
flat angles P-C4'-P energy: -9.136
tors. eta vs tors. theta energy: -14.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -175.402871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.402871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.402871 (E_RNA)
where:
Base-Base interactions energy: -112.334
where: short stacking energy: -45.188
Base-Backbone interact. energy: -0.001
local terms energy: -63.067652
where:
bonds (distance) C4'-P energy: -12.410
bonds (distance) P-C4' energy: -12.864
flat angles C4'-P-C4' energy: -12.328
flat angles P-C4'-P energy: -6.982
tors. eta vs tors. theta energy: -18.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -164.399066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.399066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.399066 (E_RNA)
where:
Base-Base interactions energy: -106.371
where: short stacking energy: -45.621
Base-Backbone interact. energy: -0.392
local terms energy: -57.635907
where:
bonds (distance) C4'-P energy: -9.674
bonds (distance) P-C4' energy: -11.954
flat angles C4'-P-C4' energy: -12.814
flat angles P-C4'-P energy: -7.665
tors. eta vs tors. theta energy: -15.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -63.296119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.296119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.296119 (E_RNA)
where:
Base-Base interactions energy: -24.289
where: short stacking energy: -14.639
Base-Backbone interact. energy: -0.005
local terms energy: -39.001901
where:
bonds (distance) C4'-P energy: -10.742
bonds (distance) P-C4' energy: -9.571
flat angles C4'-P-C4' energy: -8.170
flat angles P-C4'-P energy: -7.309
tors. eta vs tors. theta energy: -3.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -67.903281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.903281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.903281 (E_RNA)
where:
Base-Base interactions energy: -34.827
where: short stacking energy: -20.636
Base-Backbone interact. energy: -0.339
local terms energy: -32.737401
where:
bonds (distance) C4'-P energy: -10.117
bonds (distance) P-C4' energy: -6.199
flat angles C4'-P-C4' energy: -4.864
flat angles P-C4'-P energy: -6.329
tors. eta vs tors. theta energy: -5.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -62.251684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.251684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.251684 (E_RNA)
where:
Base-Base interactions energy: -14.234
where: short stacking energy: -9.368
Base-Backbone interact. energy: 0.266
local terms energy: -48.283805
where:
bonds (distance) C4'-P energy: -9.736
bonds (distance) P-C4' energy: -15.348
flat angles C4'-P-C4' energy: -12.370
flat angles P-C4'-P energy: -7.146
tors. eta vs tors. theta energy: -3.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -53.885342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.885342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.885342 (E_RNA)
where:
Base-Base interactions energy: -17.527
where: short stacking energy: -15.326
Base-Backbone interact. energy: -0.107
local terms energy: -36.251105
where:
bonds (distance) C4'-P energy: -9.919
bonds (distance) P-C4' energy: -11.247
flat angles C4'-P-C4' energy: -9.184
flat angles P-C4'-P energy: -5.616
tors. eta vs tors. theta energy: -0.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -56.720224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.720224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.720224 (E_RNA)
where:
Base-Base interactions energy: -15.876
where: short stacking energy: -16.176
Base-Backbone interact. energy: -0.148
local terms energy: -40.696858
where:
bonds (distance) C4'-P energy: -11.102
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -8.905
flat angles P-C4'-P energy: -6.109
tors. eta vs tors. theta energy: 0.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -184.699196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.699196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.699196 (E_RNA)
where:
Base-Base interactions energy: -117.769
where: short stacking energy: -48.948
Base-Backbone interact. energy: -0.012
local terms energy: -66.918227
where:
bonds (distance) C4'-P energy: -12.352
bonds (distance) P-C4' energy: -14.306
flat angles C4'-P-C4' energy: -11.989
flat angles P-C4'-P energy: -9.785
tors. eta vs tors. theta energy: -18.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -179.759157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.759157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.759157 (E_RNA)
where:
Base-Base interactions energy: -111.797
where: short stacking energy: -43.829
Base-Backbone interact. energy: -0.011
local terms energy: -67.951581
where:
bonds (distance) C4'-P energy: -13.149
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -14.534
flat angles P-C4'-P energy: -10.099
tors. eta vs tors. theta energy: -15.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -180.497707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.497707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.497707 (E_RNA)
where:
Base-Base interactions energy: -121.490
where: short stacking energy: -43.821
Base-Backbone interact. energy: -0.106
local terms energy: -58.901789
where:
bonds (distance) C4'-P energy: -12.208
bonds (distance) P-C4' energy: -7.985
flat angles C4'-P-C4' energy: -13.513
flat angles P-C4'-P energy: -8.143
tors. eta vs tors. theta energy: -17.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -170.937782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.937782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.937782 (E_RNA)
where:
Base-Base interactions energy: -114.122
where: short stacking energy: -49.756
Base-Backbone interact. energy: 0.917
local terms energy: -57.733374
where:
bonds (distance) C4'-P energy: -4.390
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -12.177
flat angles P-C4'-P energy: -9.463
tors. eta vs tors. theta energy: -17.097
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: 7
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -169.979592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.979592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.979592 (E_RNA)
where:
Base-Base interactions energy: -108.728
where: short stacking energy: -42.922
Base-Backbone interact. energy: -0.154
local terms energy: -61.097145
where:
bonds (distance) C4'-P energy: -9.284
bonds (distance) P-C4' energy: -11.472
flat angles C4'-P-C4' energy: -11.953
flat angles P-C4'-P energy: -10.791
tors. eta vs tors. theta energy: -17.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -73.136384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.136384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.136384 (E_RNA)
where:
Base-Base interactions energy: -32.736
where: short stacking energy: -21.463
Base-Backbone interact. energy: -0.118
local terms energy: -40.282791
where:
bonds (distance) C4'-P energy: -9.285
bonds (distance) P-C4' energy: -13.754
flat angles C4'-P-C4' energy: -11.720
flat angles P-C4'-P energy: -3.650
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: 7, replica: 10
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -66.710034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.710034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.710034 (E_RNA)
where:
Base-Base interactions energy: -23.803
where: short stacking energy: -7.327
Base-Backbone interact. energy: -0.134
local terms energy: -42.772987
where:
bonds (distance) C4'-P energy: -7.173
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -12.635
flat angles P-C4'-P energy: -9.457
tors. eta vs tors. theta energy: 1.374
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: 4
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -72.116615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.116615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.116615 (E_RNA)
where:
Base-Base interactions energy: -27.142
where: short stacking energy: -18.754
Base-Backbone interact. energy: -0.101
local terms energy: -44.872909
where:
bonds (distance) C4'-P energy: -13.168
bonds (distance) P-C4' energy: -12.594
flat angles C4'-P-C4' energy: -8.226
flat angles P-C4'-P energy: -8.350
tors. eta vs tors. theta energy: -2.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -63.059317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.059317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.059317 (E_RNA)
where:
Base-Base interactions energy: -31.475
where: short stacking energy: -16.082
Base-Backbone interact. energy: -0.246
local terms energy: -31.338302
where:
bonds (distance) C4'-P energy: -11.094
bonds (distance) P-C4' energy: -7.542
flat angles C4'-P-C4' energy: -7.966
flat angles P-C4'-P energy: -8.215
tors. eta vs tors. theta energy: 3.480
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: 10, replica: 5
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -59.812368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.812368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.812368 (E_RNA)
where:
Base-Base interactions energy: -19.921
where: short stacking energy: -10.387
Base-Backbone interact. energy: -0.270
local terms energy: -39.620845
where:
bonds (distance) C4'-P energy: -11.801
bonds (distance) P-C4' energy: -10.239
flat angles C4'-P-C4' energy: -11.032
flat angles P-C4'-P energy: -6.932
tors. eta vs tors. theta energy: 0.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -178.512594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.512594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.512594 (E_RNA)
where:
Base-Base interactions energy: -116.990
where: short stacking energy: -44.356
Base-Backbone interact. energy: -0.065
local terms energy: -61.457498
where:
bonds (distance) C4'-P energy: -13.586
bonds (distance) P-C4' energy: -12.405
flat angles C4'-P-C4' energy: -15.453
flat angles P-C4'-P energy: -4.002
tors. eta vs tors. theta energy: -16.012
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: 6
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -177.142474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.142474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.142474 (E_RNA)
where:
Base-Base interactions energy: -115.513
where: short stacking energy: -44.741
Base-Backbone interact. energy: -0.005
local terms energy: -61.624703
where:
bonds (distance) C4'-P energy: -13.077
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -11.231
flat angles P-C4'-P energy: -6.279
tors. eta vs tors. theta energy: -16.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -182.834650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.834650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.834650 (E_RNA)
where:
Base-Base interactions energy: -122.687
where: short stacking energy: -50.511
Base-Backbone interact. energy: -0.004
local terms energy: -60.144037
where:
bonds (distance) C4'-P energy: -10.565
bonds (distance) P-C4' energy: -12.082
flat angles C4'-P-C4' energy: -14.077
flat angles P-C4'-P energy: -6.745
tors. eta vs tors. theta energy: -16.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -169.920592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.920592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.920592 (E_RNA)
where:
Base-Base interactions energy: -104.967
where: short stacking energy: -42.727
Base-Backbone interact. energy: -0.043
local terms energy: -64.910615
where:
bonds (distance) C4'-P energy: -13.160
bonds (distance) P-C4' energy: -13.970
flat angles C4'-P-C4' energy: -12.318
flat angles P-C4'-P energy: -8.829
tors. eta vs tors. theta energy: -16.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -169.736420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.736420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.736420 (E_RNA)
where:
Base-Base interactions energy: -115.907
where: short stacking energy: -45.096
Base-Backbone interact. energy: -0.037
local terms energy: -53.791764
where:
bonds (distance) C4'-P energy: -9.140
bonds (distance) P-C4' energy: -5.475
flat angles C4'-P-C4' energy: -12.939
flat angles P-C4'-P energy: -9.397
tors. eta vs tors. theta energy: -16.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -66.841820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.841820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.841820 (E_RNA)
where:
Base-Base interactions energy: -29.710
where: short stacking energy: -6.454
Base-Backbone interact. energy: 0.101
local terms energy: -37.233073
where:
bonds (distance) C4'-P energy: -10.734
bonds (distance) P-C4' energy: -11.086
flat angles C4'-P-C4' energy: -9.418
flat angles P-C4'-P energy: -10.820
tors. eta vs tors. theta energy: 4.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -105.196023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.196023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.196023 (E_RNA)
where:
Base-Base interactions energy: -66.190
where: short stacking energy: -18.971
Base-Backbone interact. energy: -0.381
local terms energy: -38.624685
where:
bonds (distance) C4'-P energy: -9.748
bonds (distance) P-C4' energy: -12.048
flat angles C4'-P-C4' energy: -10.655
flat angles P-C4'-P energy: -4.080
tors. eta vs tors. theta energy: -2.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -70.127928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.127928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.127928 (E_RNA)
where:
Base-Base interactions energy: -26.502
where: short stacking energy: -21.251
Base-Backbone interact. energy: -0.119
local terms energy: -43.506920
where:
bonds (distance) C4'-P energy: -9.194
bonds (distance) P-C4' energy: -14.119
flat angles C4'-P-C4' energy: -10.237
flat angles P-C4'-P energy: -1.794
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: 9, replica: 5
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -70.757674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.757674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.757674 (E_RNA)
where:
Base-Base interactions energy: -30.344
where: short stacking energy: -21.267
Base-Backbone interact. energy: -0.017
local terms energy: -40.396886
where:
bonds (distance) C4'-P energy: -10.671
bonds (distance) P-C4' energy: -8.643
flat angles C4'-P-C4' energy: -10.750
flat angles P-C4'-P energy: -9.408
tors. eta vs tors. theta energy: -0.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -63.062919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.062919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.062919 (E_RNA)
where:
Base-Base interactions energy: -17.366
where: short stacking energy: -17.366
Base-Backbone interact. energy: 1.886
local terms energy: -47.582526
where:
bonds (distance) C4'-P energy: -9.885
bonds (distance) P-C4' energy: -13.920
flat angles C4'-P-C4' energy: -7.076
flat angles P-C4'-P energy: -10.243
tors. eta vs tors. theta energy: -6.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -188.075339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.075339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.075339 (E_RNA)
where:
Base-Base interactions energy: -120.458
where: short stacking energy: -49.537
Base-Backbone interact. energy: -0.002
local terms energy: -67.615397
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -13.187
flat angles C4'-P-C4' energy: -13.674
flat angles P-C4'-P energy: -8.910
tors. eta vs tors. theta energy: -17.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -177.405028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.405028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.405028 (E_RNA)
where:
Base-Base interactions energy: -115.763
where: short stacking energy: -41.431
Base-Backbone interact. energy: -0.260
local terms energy: -61.382283
where:
bonds (distance) C4'-P energy: -9.136
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -14.729
flat angles P-C4'-P energy: -7.814
tors. eta vs tors. theta energy: -15.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -177.328134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.328134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.328134 (E_RNA)
where:
Base-Base interactions energy: -115.565
where: short stacking energy: -47.192
Base-Backbone interact. energy: -0.610
local terms energy: -61.152651
where:
bonds (distance) C4'-P energy: -9.528
bonds (distance) P-C4' energy: -14.354
flat angles C4'-P-C4' energy: -12.687
flat angles P-C4'-P energy: -9.977
tors. eta vs tors. theta energy: -14.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -173.146543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.146543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.146543 (E_RNA)
where:
Base-Base interactions energy: -108.212
where: short stacking energy: -42.813
Base-Backbone interact. energy: -0.908
local terms energy: -64.025901
where:
bonds (distance) C4'-P energy: -9.807
bonds (distance) P-C4' energy: -12.412
flat angles C4'-P-C4' energy: -14.011
flat angles P-C4'-P energy: -11.859
tors. eta vs tors. theta energy: -15.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -168.952750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.952750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.952750 (E_RNA)
where:
Base-Base interactions energy: -110.194
where: short stacking energy: -42.934
Base-Backbone interact. energy: -0.072
local terms energy: -58.686882
where:
bonds (distance) C4'-P energy: -10.758
bonds (distance) P-C4' energy: -12.147
flat angles C4'-P-C4' energy: -15.640
flat angles P-C4'-P energy: -7.702
tors. eta vs tors. theta energy: -12.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -85.305947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.305947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.305947 (E_RNA)
where:
Base-Base interactions energy: -44.275
where: short stacking energy: -17.006
Base-Backbone interact. energy: -0.020
local terms energy: -41.010755
where:
bonds (distance) C4'-P energy: -11.984
bonds (distance) P-C4' energy: -10.910
flat angles C4'-P-C4' energy: -8.393
flat angles P-C4'-P energy: -7.289
tors. eta vs tors. theta energy: -2.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -78.447294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.447294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.447294 (E_RNA)
where:
Base-Base interactions energy: -36.990
where: short stacking energy: -16.700
Base-Backbone interact. energy: -0.113
local terms energy: -41.343769
where:
bonds (distance) C4'-P energy: -11.637
bonds (distance) P-C4' energy: -10.367
flat angles C4'-P-C4' energy: -11.646
flat angles P-C4'-P energy: -6.335
tors. eta vs tors. theta energy: -1.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -67.940080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.940080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.940080 (E_RNA)
where:
Base-Base interactions energy: -34.631
where: short stacking energy: -17.493
Base-Backbone interact. energy: -0.203
local terms energy: -33.106714
where:
bonds (distance) C4'-P energy: -9.053
bonds (distance) P-C4' energy: -11.585
flat angles C4'-P-C4' energy: -3.707
flat angles P-C4'-P energy: -7.439
tors. eta vs tors. theta energy: -1.323
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: 10
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -60.826205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.826205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.826205 (E_RNA)
where:
Base-Base interactions energy: -24.205
where: short stacking energy: -16.280
Base-Backbone interact. energy: -0.993
local terms energy: -35.628391
where:
bonds (distance) C4'-P energy: -10.477
bonds (distance) P-C4' energy: -13.610
flat angles C4'-P-C4' energy: -5.577
flat angles P-C4'-P energy: -6.556
tors. eta vs tors. theta energy: 0.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -67.684602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.684602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.684602 (E_RNA)
where:
Base-Base interactions energy: -26.772
where: short stacking energy: -13.853
Base-Backbone interact. energy: -0.035
local terms energy: -40.877843
where:
bonds (distance) C4'-P energy: -11.814
bonds (distance) P-C4' energy: -13.110
flat angles C4'-P-C4' energy: -8.114
flat angles P-C4'-P energy: -10.055
tors. eta vs tors. theta energy: 2.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -181.002307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.002307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.002307 (E_RNA)
where:
Base-Base interactions energy: -122.843
where: short stacking energy: -47.868
Base-Backbone interact. energy: -0.002
local terms energy: -58.158000
where:
bonds (distance) C4'-P energy: -6.835
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -14.758
flat angles P-C4'-P energy: -5.324
tors. eta vs tors. theta energy: -17.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -169.715781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.715781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.715781 (E_RNA)
where:
Base-Base interactions energy: -107.410
where: short stacking energy: -38.341
Base-Backbone interact. energy: -0.096
local terms energy: -62.209296
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -11.242
flat angles P-C4'-P energy: -9.193
tors. eta vs tors. theta energy: -13.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -182.947995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.947995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.947995 (E_RNA)
where:
Base-Base interactions energy: -121.610
where: short stacking energy: -51.790
Base-Backbone interact. energy: -0.063
local terms energy: -61.274180
where:
bonds (distance) C4'-P energy: -12.584
bonds (distance) P-C4' energy: -12.880
flat angles C4'-P-C4' energy: -13.247
flat angles P-C4'-P energy: -5.705
tors. eta vs tors. theta energy: -16.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -164.848670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.848670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.848670 (E_RNA)
where:
Base-Base interactions energy: -108.190
where: short stacking energy: -42.817
Base-Backbone interact. energy: -0.365
local terms energy: -56.293675
where:
bonds (distance) C4'-P energy: -9.927
bonds (distance) P-C4' energy: -12.007
flat angles C4'-P-C4' energy: -10.888
flat angles P-C4'-P energy: -7.731
tors. eta vs tors. theta energy: -15.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -170.145558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.145558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.145558 (E_RNA)
where:
Base-Base interactions energy: -113.064
where: short stacking energy: -38.942
Base-Backbone interact. energy: -0.109
local terms energy: -56.972085
where:
bonds (distance) C4'-P energy: -7.860
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -11.718
flat angles P-C4'-P energy: -6.840
tors. eta vs tors. theta energy: -15.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -75.073438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.073438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.073438 (E_RNA)
where:
Base-Base interactions energy: -25.756
where: short stacking energy: -16.683
Base-Backbone interact. energy: -0.211
local terms energy: -49.106763
where:
bonds (distance) C4'-P energy: -12.759
bonds (distance) P-C4' energy: -13.663
flat angles C4'-P-C4' energy: -11.643
flat angles P-C4'-P energy: -9.668
tors. eta vs tors. theta energy: -1.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -76.413703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.413703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.413703 (E_RNA)
where:
Base-Base interactions energy: -28.744
where: short stacking energy: -28.744
Base-Backbone interact. energy: -0.057
local terms energy: -47.612939
where:
bonds (distance) C4'-P energy: -8.909
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -10.179
flat angles P-C4'-P energy: -7.737
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: 8, replica: 9
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -79.578236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.578236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.578236 (E_RNA)
where:
Base-Base interactions energy: -40.846
where: short stacking energy: -10.473
Base-Backbone interact. energy: -0.206
local terms energy: -38.526330
where:
bonds (distance) C4'-P energy: -12.662
bonds (distance) P-C4' energy: -7.191
flat angles C4'-P-C4' energy: -10.014
flat angles P-C4'-P energy: -8.797
tors. eta vs tors. theta energy: 0.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -61.335174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.335174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.335174 (E_RNA)
where:
Base-Base interactions energy: -15.472
where: short stacking energy: -14.338
Base-Backbone interact. energy: 0.625
local terms energy: -46.487906
where:
bonds (distance) C4'-P energy: -12.809
bonds (distance) P-C4' energy: -9.982
flat angles C4'-P-C4' energy: -11.478
flat angles P-C4'-P energy: -8.080
tors. eta vs tors. theta energy: -4.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -54.473287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.473287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.473287 (E_RNA)
where:
Base-Base interactions energy: -18.720
where: short stacking energy: -8.640
Base-Backbone interact. energy: -0.368
local terms energy: -35.385727
where:
bonds (distance) C4'-P energy: -9.495
bonds (distance) P-C4' energy: -11.059
flat angles C4'-P-C4' energy: -10.801
flat angles P-C4'-P energy: -6.308
tors. eta vs tors. theta energy: 2.278
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: 6
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -184.377898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.377898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.377898 (E_RNA)
where:
Base-Base interactions energy: -115.642
where: short stacking energy: -46.579
Base-Backbone interact. energy: -0.261
local terms energy: -68.475295
where:
bonds (distance) C4'-P energy: -14.038
bonds (distance) P-C4' energy: -12.859
flat angles C4'-P-C4' energy: -12.961
flat angles P-C4'-P energy: -9.740
tors. eta vs tors. theta energy: -18.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -174.315739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.315739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.315739 (E_RNA)
where:
Base-Base interactions energy: -112.089
where: short stacking energy: -43.704
Base-Backbone interact. energy: -0.031
local terms energy: -62.195630
where:
bonds (distance) C4'-P energy: -11.864
bonds (distance) P-C4' energy: -10.256
flat angles C4'-P-C4' energy: -14.728
flat angles P-C4'-P energy: -9.505
tors. eta vs tors. theta energy: -15.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -161.364055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.364055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.364055 (E_RNA)
where:
Base-Base interactions energy: -113.524
where: short stacking energy: -33.359
Base-Backbone interact. energy: -0.141
local terms energy: -47.699195
where:
bonds (distance) C4'-P energy: -7.641
bonds (distance) P-C4' energy: -13.379
flat angles C4'-P-C4' energy: -10.644
flat angles P-C4'-P energy: -5.873
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: 4, replica: 1
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -164.249007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.249007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.249007 (E_RNA)
where:
Base-Base interactions energy: -108.814
where: short stacking energy: -41.262
Base-Backbone interact. energy: -0.244
local terms energy: -55.190533
where:
bonds (distance) C4'-P energy: -11.441
bonds (distance) P-C4' energy: -10.711
flat angles C4'-P-C4' energy: -11.471
flat angles P-C4'-P energy: -10.556
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: 5, replica: 7
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -171.633559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.633559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.633559 (E_RNA)
where:
Base-Base interactions energy: -110.040
where: short stacking energy: -49.220
Base-Backbone interact. energy: -0.000
local terms energy: -61.592826
where:
bonds (distance) C4'-P energy: -8.204
bonds (distance) P-C4' energy: -11.375
flat angles C4'-P-C4' energy: -13.377
flat angles P-C4'-P energy: -11.458
tors. eta vs tors. theta energy: -17.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -98.973288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.973288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.973288 (E_RNA)
where:
Base-Base interactions energy: -53.819
where: short stacking energy: -18.118
Base-Backbone interact. energy: -0.309
local terms energy: -44.845832
where:
bonds (distance) C4'-P energy: -11.959
bonds (distance) P-C4' energy: -11.926
flat angles C4'-P-C4' energy: -6.161
flat angles P-C4'-P energy: -9.000
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: 4
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -83.523388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.523388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.523388 (E_RNA)
where:
Base-Base interactions energy: -45.088
where: short stacking energy: -20.174
Base-Backbone interact. energy: 0.930
local terms energy: -39.365012
where:
bonds (distance) C4'-P energy: -10.895
bonds (distance) P-C4' energy: -7.846
flat angles C4'-P-C4' energy: -10.172
flat angles P-C4'-P energy: -7.966
tors. eta vs tors. theta energy: -2.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -58.600875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.600875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.600875 (E_RNA)
where:
Base-Base interactions energy: -23.223
where: short stacking energy: -10.811
Base-Backbone interact. energy: 0.456
local terms energy: -35.834431
where:
bonds (distance) C4'-P energy: -10.122
bonds (distance) P-C4' energy: -10.175
flat angles C4'-P-C4' energy: -9.229
flat angles P-C4'-P energy: -5.474
tors. eta vs tors. theta energy: -0.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -63.464021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.464021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.464021 (E_RNA)
where:
Base-Base interactions energy: -23.490
where: short stacking energy: -10.225
Base-Backbone interact. energy: -0.118
local terms energy: -39.855600
where:
bonds (distance) C4'-P energy: -8.707
bonds (distance) P-C4' energy: -12.917
flat angles C4'-P-C4' energy: -9.436
flat angles P-C4'-P energy: -6.418
tors. eta vs tors. theta energy: -2.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -87.439209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.439209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.439209 (E_RNA)
where:
Base-Base interactions energy: -43.698
where: short stacking energy: -13.224
Base-Backbone interact. energy: -0.205
local terms energy: -43.536392
where:
bonds (distance) C4'-P energy: -14.625
bonds (distance) P-C4' energy: -11.597
flat angles C4'-P-C4' energy: -8.264
flat angles P-C4'-P energy: -7.556
tors. eta vs tors. theta energy: -1.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -178.537342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.537342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.537342 (E_RNA)
where:
Base-Base interactions energy: -115.445
where: short stacking energy: -48.525
Base-Backbone interact. energy: -0.000
local terms energy: -63.091993
where:
bonds (distance) C4'-P energy: -10.511
bonds (distance) P-C4' energy: -11.227
flat angles C4'-P-C4' energy: -11.572
flat angles P-C4'-P energy: -11.997
tors. eta vs tors. theta energy: -17.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -178.971328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.971328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.971328 (E_RNA)
where:
Base-Base interactions energy: -118.838
where: short stacking energy: -49.015
Base-Backbone interact. energy: 0.268
local terms energy: -60.401578
where:
bonds (distance) C4'-P energy: -12.741
bonds (distance) P-C4' energy: -9.776
flat angles C4'-P-C4' energy: -12.413
flat angles P-C4'-P energy: -10.022
tors. eta vs tors. theta energy: -15.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -169.788849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.788849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.788849 (E_RNA)
where:
Base-Base interactions energy: -108.130
where: short stacking energy: -38.030
Base-Backbone interact. energy: -1.228
local terms energy: -60.431329
where:
bonds (distance) C4'-P energy: -10.896
bonds (distance) P-C4' energy: -13.609
flat angles C4'-P-C4' energy: -13.813
flat angles P-C4'-P energy: -9.246
tors. eta vs tors. theta energy: -12.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -135.277195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.277195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.277195 (E_RNA)
where:
Base-Base interactions energy: -86.285
where: short stacking energy: -33.547
Base-Backbone interact. energy: -0.168
local terms energy: -48.824704
where:
bonds (distance) C4'-P energy: -9.475
bonds (distance) P-C4' energy: -12.405
flat angles C4'-P-C4' energy: -14.206
flat angles P-C4'-P energy: -5.040
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: 5, replica: 7
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -175.913982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.913982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.913982 (E_RNA)
where:
Base-Base interactions energy: -112.845
where: short stacking energy: -51.000
Base-Backbone interact. energy: -0.002
local terms energy: -63.066956
where:
bonds (distance) C4'-P energy: -12.866
bonds (distance) P-C4' energy: -11.843
flat angles C4'-P-C4' energy: -12.630
flat angles P-C4'-P energy: -10.094
tors. eta vs tors. theta energy: -15.635
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: 284
Temperature: 1.150000
Total energy: -71.958430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.958430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.958430 (E_RNA)
where:
Base-Base interactions energy: -23.630
where: short stacking energy: -20.398
Base-Backbone interact. energy: -0.161
local terms energy: -48.167436
where:
bonds (distance) C4'-P energy: -11.718
bonds (distance) P-C4' energy: -13.840
flat angles C4'-P-C4' energy: -11.092
flat angles P-C4'-P energy: -7.813
tors. eta vs tors. theta energy: -3.704
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: 7, replica: 4
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -89.080603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.080603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.080603 (E_RNA)
where:
Base-Base interactions energy: -47.738
where: short stacking energy: -23.664
Base-Backbone interact. energy: -0.010
local terms energy: -41.333416
where:
bonds (distance) C4'-P energy: -12.956
bonds (distance) P-C4' energy: -7.921
flat angles C4'-P-C4' energy: -8.124
flat angles P-C4'-P energy: -9.456
tors. eta vs tors. theta energy: -2.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -63.791288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.791288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.791288 (E_RNA)
where:
Base-Base interactions energy: -19.829
where: short stacking energy: -19.829
Base-Backbone interact. energy: -0.074
local terms energy: -43.888528
where:
bonds (distance) C4'-P energy: -11.226
bonds (distance) P-C4' energy: -10.268
flat angles C4'-P-C4' energy: -11.539
flat angles P-C4'-P energy: -7.030
tors. eta vs tors. theta energy: -3.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -63.275396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.275396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.275396 (E_RNA)
where:
Base-Base interactions energy: -24.741
where: short stacking energy: -6.384
Base-Backbone interact. energy: -0.626
local terms energy: -37.908215
where:
bonds (distance) C4'-P energy: -6.784
bonds (distance) P-C4' energy: -14.214
flat angles C4'-P-C4' energy: -6.514
flat angles P-C4'-P energy: -7.941
tors. eta vs tors. theta energy: -2.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -57.930723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.930723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.930723 (E_RNA)
where:
Base-Base interactions energy: -12.744
where: short stacking energy: -10.791
Base-Backbone interact. energy: 0.789
local terms energy: -45.976253
where:
bonds (distance) C4'-P energy: -11.469
bonds (distance) P-C4' energy: -13.907
flat angles C4'-P-C4' energy: -11.941
flat angles P-C4'-P energy: -6.235
tors. eta vs tors. theta energy: -2.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -179.605021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.605021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.605021 (E_RNA)
where:
Base-Base interactions energy: -119.341
where: short stacking energy: -42.496
Base-Backbone interact. energy: -0.006
local terms energy: -60.257931
where:
bonds (distance) C4'-P energy: -11.164
bonds (distance) P-C4' energy: -13.634
flat angles C4'-P-C4' energy: -10.972
flat angles P-C4'-P energy: -9.423
tors. eta vs tors. theta energy: -15.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -168.384726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.384726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.384726 (E_RNA)
where:
Base-Base interactions energy: -111.880
where: short stacking energy: -41.710
Base-Backbone interact. energy: -0.005
local terms energy: -56.500333
where:
bonds (distance) C4'-P energy: -11.363
bonds (distance) P-C4' energy: -13.944
flat angles C4'-P-C4' energy: -10.803
flat angles P-C4'-P energy: -7.736
tors. eta vs tors. theta energy: -12.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -173.321368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.321368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.321368 (E_RNA)
where:
Base-Base interactions energy: -106.772
where: short stacking energy: -45.818
Base-Backbone interact. energy: -0.034
local terms energy: -66.514962
where:
bonds (distance) C4'-P energy: -12.402
bonds (distance) P-C4' energy: -11.876
flat angles C4'-P-C4' energy: -13.955
flat angles P-C4'-P energy: -9.938
tors. eta vs tors. theta energy: -18.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -169.392916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.392916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.392916 (E_RNA)
where:
Base-Base interactions energy: -112.840
where: short stacking energy: -46.354
Base-Backbone interact. energy: -0.872
local terms energy: -55.680369
where:
bonds (distance) C4'-P energy: -8.701
bonds (distance) P-C4' energy: -9.101
flat angles C4'-P-C4' energy: -13.622
flat angles P-C4'-P energy: -8.279
tors. eta vs tors. theta energy: -15.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -137.042888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.042888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.042888 (E_RNA)
where:
Base-Base interactions energy: -83.854
where: short stacking energy: -38.949
Base-Backbone interact. energy: -0.053
local terms energy: -53.135924
where:
bonds (distance) C4'-P energy: -9.690
bonds (distance) P-C4' energy: -15.033
flat angles C4'-P-C4' energy: -12.076
flat angles P-C4'-P energy: -7.077
tors. eta vs tors. theta energy: -9.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -92.262998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.262998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.262998 (E_RNA)
where:
Base-Base interactions energy: -55.512
where: short stacking energy: -15.881
Base-Backbone interact. energy: -0.093
local terms energy: -36.657814
where:
bonds (distance) C4'-P energy: -6.902
bonds (distance) P-C4' energy: -12.831
flat angles C4'-P-C4' energy: -9.543
flat angles P-C4'-P energy: -6.567
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: 7, replica: 5
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -69.867893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.867893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.867893 (E_RNA)
where:
Base-Base interactions energy: -28.575
where: short stacking energy: -24.915
Base-Backbone interact. energy: -0.489
local terms energy: -40.804055
where:
bonds (distance) C4'-P energy: -12.298
bonds (distance) P-C4' energy: -12.048
flat angles C4'-P-C4' energy: -7.268
flat angles P-C4'-P energy: -5.799
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: 8, replica: 10
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -61.613474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.613474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.613474 (E_RNA)
where:
Base-Base interactions energy: -26.179
where: short stacking energy: -9.028
Base-Backbone interact. energy: -0.412
local terms energy: -35.023395
where:
bonds (distance) C4'-P energy: -12.932
bonds (distance) P-C4' energy: -9.042
flat angles C4'-P-C4' energy: -8.846
flat angles P-C4'-P energy: -5.938
tors. eta vs tors. theta energy: 1.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -63.252291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.252291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.252291 (E_RNA)
where:
Base-Base interactions energy: -18.343
where: short stacking energy: -8.086
Base-Backbone interact. energy: -0.161
local terms energy: -44.748347
where:
bonds (distance) C4'-P energy: -14.960
bonds (distance) P-C4' energy: -13.687
flat angles C4'-P-C4' energy: -10.692
flat angles P-C4'-P energy: -6.620
tors. eta vs tors. theta energy: 1.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -60.303380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.303380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.303380 (E_RNA)
where:
Base-Base interactions energy: -16.532
where: short stacking energy: -15.132
Base-Backbone interact. energy: -0.073
local terms energy: -43.697816
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -13.705
flat angles C4'-P-C4' energy: -9.023
flat angles P-C4'-P energy: -7.290
tors. eta vs tors. theta energy: -1.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -179.499668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.499668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.499668 (E_RNA)
where:
Base-Base interactions energy: -117.393
where: short stacking energy: -46.486
Base-Backbone interact. energy: -0.854
local terms energy: -61.252809
where:
bonds (distance) C4'-P energy: -11.179
bonds (distance) P-C4' energy: -12.126
flat angles C4'-P-C4' energy: -13.029
flat angles P-C4'-P energy: -9.405
tors. eta vs tors. theta energy: -15.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -170.905386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.905386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.905386 (E_RNA)
where:
Base-Base interactions energy: -114.751
where: short stacking energy: -49.375
Base-Backbone interact. energy: -0.052
local terms energy: -56.102570
where:
bonds (distance) C4'-P energy: -9.397
bonds (distance) P-C4' energy: -13.681
flat angles C4'-P-C4' energy: -14.260
flat angles P-C4'-P energy: -3.335
tors. eta vs tors. theta energy: -15.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -176.938648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.938648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.938648 (E_RNA)
where:
Base-Base interactions energy: -115.708
where: short stacking energy: -43.667
Base-Backbone interact. energy: -0.104
local terms energy: -61.126669
where:
bonds (distance) C4'-P energy: -13.405
bonds (distance) P-C4' energy: -14.519
flat angles C4'-P-C4' energy: -11.334
flat angles P-C4'-P energy: -6.165
tors. eta vs tors. theta energy: -15.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -167.603529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.603529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.603529 (E_RNA)
where:
Base-Base interactions energy: -108.415
where: short stacking energy: -44.607
Base-Backbone interact. energy: -0.009
local terms energy: -59.180013
where:
bonds (distance) C4'-P energy: -10.601
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -11.594
flat angles P-C4'-P energy: -9.813
tors. eta vs tors. theta energy: -13.646
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: 286
Temperature: 1.100000
Total energy: -127.551885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.551885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.551885 (E_RNA)
where:
Base-Base interactions energy: -74.432
where: short stacking energy: -33.507
Base-Backbone interact. energy: -0.028
local terms energy: -53.092527
where:
bonds (distance) C4'-P energy: -11.665
bonds (distance) P-C4' energy: -14.033
flat angles C4'-P-C4' energy: -9.882
flat angles P-C4'-P energy: -8.266
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: 6, replica: 4
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -79.940355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.940355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.940355 (E_RNA)
where:
Base-Base interactions energy: -44.406
where: short stacking energy: -13.069
Base-Backbone interact. energy: -0.035
local terms energy: -35.499088
where:
bonds (distance) C4'-P energy: -10.556
bonds (distance) P-C4' energy: -9.822
flat angles C4'-P-C4' energy: -8.253
flat angles P-C4'-P energy: -6.152
tors. eta vs tors. theta energy: -0.717
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: 5
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -63.593585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.593585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.593585 (E_RNA)
where:
Base-Base interactions energy: -22.539
where: short stacking energy: -22.539
Base-Backbone interact. energy: -0.338
local terms energy: -40.716096
where:
bonds (distance) C4'-P energy: -9.099
bonds (distance) P-C4' energy: -9.112
flat angles C4'-P-C4' energy: -8.174
flat angles P-C4'-P energy: -11.392
tors. eta vs tors. theta energy: -2.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -56.990385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.990385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.990385 (E_RNA)
where:
Base-Base interactions energy: -23.357
where: short stacking energy: -14.017
Base-Backbone interact. energy: -0.161
local terms energy: -33.473089
where:
bonds (distance) C4'-P energy: -9.538
bonds (distance) P-C4' energy: -10.369
flat angles C4'-P-C4' energy: -11.281
flat angles P-C4'-P energy: -4.350
tors. eta vs tors. theta energy: 2.066
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: 286
Temperature: 1.300000
Total energy: -58.884702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.884702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.884702 (E_RNA)
where:
Base-Base interactions energy: -14.333
where: short stacking energy: -14.220
Base-Backbone interact. energy: -0.360
local terms energy: -44.192232
where:
bonds (distance) C4'-P energy: -13.105
bonds (distance) P-C4' energy: -13.956
flat angles C4'-P-C4' energy: -12.252
flat angles P-C4'-P energy: -4.911
tors. eta vs tors. theta energy: 0.032
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: 10, replica: 2
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -72.005398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.005398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.005398 (E_RNA)
where:
Base-Base interactions energy: -32.800
where: short stacking energy: -18.740
Base-Backbone interact. energy: -0.137
local terms energy: -39.068464
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -13.607
flat angles C4'-P-C4' energy: -6.389
flat angles P-C4'-P energy: -5.017
tors. eta vs tors. theta energy: -1.025
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: 1, replica: 6
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -182.624644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.624644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.624644 (E_RNA)
where:
Base-Base interactions energy: -119.779
where: short stacking energy: -50.950
Base-Backbone interact. energy: -0.020
local terms energy: -62.826207
where:
bonds (distance) C4'-P energy: -12.493
bonds (distance) P-C4' energy: -12.109
flat angles C4'-P-C4' energy: -11.225
flat angles P-C4'-P energy: -10.291
tors. eta vs tors. theta energy: -16.709
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: 1
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -177.036271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.036271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.036271 (E_RNA)
where:
Base-Base interactions energy: -113.997
where: short stacking energy: -44.482
Base-Backbone interact. energy: -0.014
local terms energy: -63.024885
where:
bonds (distance) C4'-P energy: -9.290
bonds (distance) P-C4' energy: -14.299
flat angles C4'-P-C4' energy: -13.893
flat angles P-C4'-P energy: -9.134
tors. eta vs tors. theta energy: -16.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -174.823239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.823239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.823239 (E_RNA)
where:
Base-Base interactions energy: -113.852
where: short stacking energy: -47.464
Base-Backbone interact. energy: -0.169
local terms energy: -60.802073
where:
bonds (distance) C4'-P energy: -12.485
bonds (distance) P-C4' energy: -11.194
flat angles C4'-P-C4' energy: -12.206
flat angles P-C4'-P energy: -6.273
tors. eta vs tors. theta energy: -18.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -167.463609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.463609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.463609 (E_RNA)
where:
Base-Base interactions energy: -107.318
where: short stacking energy: -41.594
Base-Backbone interact. energy: -0.001
local terms energy: -60.144948
where:
bonds (distance) C4'-P energy: -10.485
bonds (distance) P-C4' energy: -14.671
flat angles C4'-P-C4' energy: -11.268
flat angles P-C4'-P energy: -6.869
tors. eta vs tors. theta energy: -16.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -134.094547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.094547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.094547 (E_RNA)
where:
Base-Base interactions energy: -78.794
where: short stacking energy: -31.254
Base-Backbone interact. energy: -0.052
local terms energy: -55.249354
where:
bonds (distance) C4'-P energy: -11.223
bonds (distance) P-C4' energy: -15.559
flat angles C4'-P-C4' energy: -12.800
flat angles P-C4'-P energy: -8.618
tors. eta vs tors. theta energy: -7.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -83.646760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.646760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.646760 (E_RNA)
where:
Base-Base interactions energy: -43.189
where: short stacking energy: -15.621
Base-Backbone interact. energy: 1.061
local terms energy: -41.519125
where:
bonds (distance) C4'-P energy: -12.348
bonds (distance) P-C4' energy: -12.042
flat angles C4'-P-C4' energy: -10.510
flat angles P-C4'-P energy: -3.763
tors. eta vs tors. theta energy: -2.856
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: 4
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -63.672701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.672701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.672701 (E_RNA)
where:
Base-Base interactions energy: -22.228
where: short stacking energy: -22.228
Base-Backbone interact. energy: -0.447
local terms energy: -40.997152
where:
bonds (distance) C4'-P energy: -12.351
bonds (distance) P-C4' energy: -11.890
flat angles C4'-P-C4' energy: -9.647
flat angles P-C4'-P energy: -4.724
tors. eta vs tors. theta energy: -2.384
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: 9
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -60.700290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.700290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.700290 (E_RNA)
where:
Base-Base interactions energy: -22.898
where: short stacking energy: -16.609
Base-Backbone interact. energy: -0.134
local terms energy: -37.668364
where:
bonds (distance) C4'-P energy: -12.725
bonds (distance) P-C4' energy: -11.322
flat angles C4'-P-C4' energy: -12.004
flat angles P-C4'-P energy: -5.451
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: 9, replica: 10
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -63.604476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.604476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.604476 (E_RNA)
where:
Base-Base interactions energy: -21.872
where: short stacking energy: -16.552
Base-Backbone interact. energy: -0.132
local terms energy: -41.600821
where:
bonds (distance) C4'-P energy: -12.651
bonds (distance) P-C4' energy: -11.803
flat angles C4'-P-C4' energy: -10.325
flat angles P-C4'-P energy: -3.963
tors. eta vs tors. theta energy: -2.859
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: 10, replica: 2
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -69.051831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.051831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.051831 (E_RNA)
where:
Base-Base interactions energy: -25.732
where: short stacking energy: -15.977
Base-Backbone interact. energy: 0.998
local terms energy: -44.317226
where:
bonds (distance) C4'-P energy: -10.638
bonds (distance) P-C4' energy: -10.005
flat angles C4'-P-C4' energy: -11.624
flat angles P-C4'-P energy: -10.122
tors. eta vs tors. theta energy: -1.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -179.533783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.533783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.533783 (E_RNA)
where:
Base-Base interactions energy: -115.384
where: short stacking energy: -47.766
Base-Backbone interact. energy: -0.035
local terms energy: -64.114719
where:
bonds (distance) C4'-P energy: -12.269
bonds (distance) P-C4' energy: -13.702
flat angles C4'-P-C4' energy: -12.864
flat angles P-C4'-P energy: -11.065
tors. eta vs tors. theta energy: -14.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -174.882062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.882062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.882062 (E_RNA)
where:
Base-Base interactions energy: -111.779
where: short stacking energy: -41.618
Base-Backbone interact. energy: -0.002
local terms energy: -63.101580
where:
bonds (distance) C4'-P energy: -11.798
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -13.578
flat angles P-C4'-P energy: -7.460
tors. eta vs tors. theta energy: -16.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -174.653219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.653219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.653219 (E_RNA)
where:
Base-Base interactions energy: -113.354
where: short stacking energy: -47.653
Base-Backbone interact. energy: -0.052
local terms energy: -61.246931
where:
bonds (distance) C4'-P energy: -11.645
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -9.362
flat angles P-C4'-P energy: -11.064
tors. eta vs tors. theta energy: -15.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -149.847328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.847328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.847328 (E_RNA)
where:
Base-Base interactions energy: -101.614
where: short stacking energy: -37.236
Base-Backbone interact. energy: -1.325
local terms energy: -46.907998
where:
bonds (distance) C4'-P energy: -11.455
bonds (distance) P-C4' energy: -12.761
flat angles C4'-P-C4' energy: -5.757
flat angles P-C4'-P energy: -5.927
tors. eta vs tors. theta energy: -11.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -134.215180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.215180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.215180 (E_RNA)
where:
Base-Base interactions energy: -83.638
where: short stacking energy: -31.612
Base-Backbone interact. energy: -0.259
local terms energy: -50.318867
where:
bonds (distance) C4'-P energy: -13.628
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -12.161
flat angles P-C4'-P energy: -8.428
tors. eta vs tors. theta energy: -1.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -94.329299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.329299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.329299 (E_RNA)
where:
Base-Base interactions energy: -41.513
where: short stacking energy: -21.383
Base-Backbone interact. energy: -0.029
local terms energy: -52.787869
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -12.567
flat angles C4'-P-C4' energy: -12.425
flat angles P-C4'-P energy: -6.336
tors. eta vs tors. theta energy: -8.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -64.293817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.293817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.293817 (E_RNA)
where:
Base-Base interactions energy: -19.666
where: short stacking energy: -18.800
Base-Backbone interact. energy: -1.106
local terms energy: -43.522216
where:
bonds (distance) C4'-P energy: -10.799
bonds (distance) P-C4' energy: -10.336
flat angles C4'-P-C4' energy: -10.337
flat angles P-C4'-P energy: -8.902
tors. eta vs tors. theta energy: -3.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -59.224578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.224578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.224578 (E_RNA)
where:
Base-Base interactions energy: -20.465
where: short stacking energy: -20.465
Base-Backbone interact. energy: -0.093
local terms energy: -38.666852
where:
bonds (distance) C4'-P energy: -10.283
bonds (distance) P-C4' energy: -11.249
flat angles C4'-P-C4' energy: -8.841
flat angles P-C4'-P energy: -7.236
tors. eta vs tors. theta energy: -1.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -67.789469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.789469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.789469 (E_RNA)
where:
Base-Base interactions energy: -19.406
where: short stacking energy: -19.406
Base-Backbone interact. energy: -0.059
local terms energy: -48.324473
where:
bonds (distance) C4'-P energy: -11.372
bonds (distance) P-C4' energy: -10.316
flat angles C4'-P-C4' energy: -12.940
flat angles P-C4'-P energy: -5.302
tors. eta vs tors. theta energy: -8.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -66.288641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.288641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.288641 (E_RNA)
where:
Base-Base interactions energy: -29.375
where: short stacking energy: -10.882
Base-Backbone interact. energy: -0.139
local terms energy: -36.774986
where:
bonds (distance) C4'-P energy: -10.262
bonds (distance) P-C4' energy: -11.443
flat angles C4'-P-C4' energy: -11.697
flat angles P-C4'-P energy: -6.862
tors. eta vs tors. theta energy: 3.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -182.281321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.281321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.281321 (E_RNA)
where:
Base-Base interactions energy: -120.875
where: short stacking energy: -47.077
Base-Backbone interact. energy: -0.002
local terms energy: -61.403917
where:
bonds (distance) C4'-P energy: -10.453
bonds (distance) P-C4' energy: -11.957
flat angles C4'-P-C4' energy: -14.435
flat angles P-C4'-P energy: -8.643
tors. eta vs tors. theta energy: -15.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -184.161629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.161629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.161629 (E_RNA)
where:
Base-Base interactions energy: -120.901
where: short stacking energy: -48.225
Base-Backbone interact. energy: -0.004
local terms energy: -63.256316
where:
bonds (distance) C4'-P energy: -12.927
bonds (distance) P-C4' energy: -9.537
flat angles C4'-P-C4' energy: -13.077
flat angles P-C4'-P energy: -9.701
tors. eta vs tors. theta energy: -18.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -170.539694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.539694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.539694 (E_RNA)
where:
Base-Base interactions energy: -109.888
where: short stacking energy: -41.434
Base-Backbone interact. energy: -0.049
local terms energy: -60.603324
where:
bonds (distance) C4'-P energy: -13.388
bonds (distance) P-C4' energy: -13.353
flat angles C4'-P-C4' energy: -9.617
flat angles P-C4'-P energy: -6.825
tors. eta vs tors. theta energy: -17.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -169.399081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.399081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.399081 (E_RNA)
where:
Base-Base interactions energy: -107.507
where: short stacking energy: -42.893
Base-Backbone interact. energy: -0.002
local terms energy: -61.890125
where:
bonds (distance) C4'-P energy: -8.693
bonds (distance) P-C4' energy: -13.974
flat angles C4'-P-C4' energy: -14.457
flat angles P-C4'-P energy: -9.188
tors. eta vs tors. theta energy: -15.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -161.507362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.507362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.507362 (E_RNA)
where:
Base-Base interactions energy: -105.704
where: short stacking energy: -46.696
Base-Backbone interact. energy: -0.042
local terms energy: -55.760644
where:
bonds (distance) C4'-P energy: -13.230
bonds (distance) P-C4' energy: -8.478
flat angles C4'-P-C4' energy: -11.537
flat angles P-C4'-P energy: -8.921
tors. eta vs tors. theta energy: -13.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -95.994411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.994411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.994411 (E_RNA)
where:
Base-Base interactions energy: -43.077
where: short stacking energy: -22.650
Base-Backbone interact. energy: -0.111
local terms energy: -52.806605
where:
bonds (distance) C4'-P energy: -12.083
bonds (distance) P-C4' energy: -11.592
flat angles C4'-P-C4' energy: -13.273
flat angles P-C4'-P energy: -7.703
tors. eta vs tors. theta energy: -8.155
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: 7, replica: 4
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -68.721189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.721189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.721189 (E_RNA)
where:
Base-Base interactions energy: -23.674
where: short stacking energy: -17.239
Base-Backbone interact. energy: 0.079
local terms energy: -45.125879
where:
bonds (distance) C4'-P energy: -11.648
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -10.917
flat angles P-C4'-P energy: -4.915
tors. eta vs tors. theta energy: -3.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -69.920996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.920996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.920996 (E_RNA)
where:
Base-Base interactions energy: -29.824
where: short stacking energy: -13.486
Base-Backbone interact. energy: 1.502
local terms energy: -41.598941
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -11.485
flat angles C4'-P-C4' energy: -8.481
flat angles P-C4'-P energy: -6.895
tors. eta vs tors. theta energy: -0.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -58.274795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.274795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.274795 (E_RNA)
where:
Base-Base interactions energy: -18.894
where: short stacking energy: -18.894
Base-Backbone interact. energy: -0.070
local terms energy: -39.311462
where:
bonds (distance) C4'-P energy: -10.783
bonds (distance) P-C4' energy: -13.113
flat angles C4'-P-C4' energy: -6.847
flat angles P-C4'-P energy: -6.083
tors. eta vs tors. theta energy: -2.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -72.560778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.560778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.560778 (E_RNA)
where:
Base-Base interactions energy: -30.435
where: short stacking energy: -6.415
Base-Backbone interact. energy: -0.228
local terms energy: -41.897885
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -12.662
flat angles C4'-P-C4' energy: -13.097
flat angles P-C4'-P energy: -1.053
tors. eta vs tors. theta energy: -2.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -179.950085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.950085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.950085 (E_RNA)
where:
Base-Base interactions energy: -116.640
where: short stacking energy: -48.927
Base-Backbone interact. energy: -0.005
local terms energy: -63.305596
where:
bonds (distance) C4'-P energy: -14.447
bonds (distance) P-C4' energy: -12.760
flat angles C4'-P-C4' energy: -8.763
flat angles P-C4'-P energy: -9.265
tors. eta vs tors. theta energy: -18.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -182.785715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.785715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.785715 (E_RNA)
where:
Base-Base interactions energy: -114.955
where: short stacking energy: -50.308
Base-Backbone interact. energy: -0.015
local terms energy: -67.815369
where:
bonds (distance) C4'-P energy: -12.609
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -14.781
flat angles P-C4'-P energy: -8.837
tors. eta vs tors. theta energy: -17.647
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: 3
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -175.737264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.737264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.737264 (E_RNA)
where:
Base-Base interactions energy: -112.233
where: short stacking energy: -45.310
Base-Backbone interact. energy: -0.000
local terms energy: -63.503433
where:
bonds (distance) C4'-P energy: -12.179
bonds (distance) P-C4' energy: -13.258
flat angles C4'-P-C4' energy: -12.268
flat angles P-C4'-P energy: -8.753
tors. eta vs tors. theta energy: -17.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -169.523974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.523974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.523974 (E_RNA)
where:
Base-Base interactions energy: -110.921
where: short stacking energy: -41.121
Base-Backbone interact. energy: -0.104
local terms energy: -58.499072
where:
bonds (distance) C4'-P energy: -8.693
bonds (distance) P-C4' energy: -15.115
flat angles C4'-P-C4' energy: -11.690
flat angles P-C4'-P energy: -8.882
tors. eta vs tors. theta energy: -14.118
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: 8
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -161.699731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.699731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.699731 (E_RNA)
where:
Base-Base interactions energy: -112.233
where: short stacking energy: -40.096
Base-Backbone interact. energy: -0.058
local terms energy: -49.408442
where:
bonds (distance) C4'-P energy: -10.778
bonds (distance) P-C4' energy: -9.050
flat angles C4'-P-C4' energy: -9.389
flat angles P-C4'-P energy: -7.147
tors. eta vs tors. theta energy: -13.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -82.412577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.412577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.412577 (E_RNA)
where:
Base-Base interactions energy: -43.091
where: short stacking energy: -22.186
Base-Backbone interact. energy: 0.621
local terms energy: -39.942428
where:
bonds (distance) C4'-P energy: -11.209
bonds (distance) P-C4' energy: -12.107
flat angles C4'-P-C4' energy: -6.216
flat angles P-C4'-P energy: -7.548
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: 7, replica: 10
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -68.481876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.481876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.481876 (E_RNA)
where:
Base-Base interactions energy: -29.356
where: short stacking energy: -26.759
Base-Backbone interact. energy: -0.358
local terms energy: -38.768065
where:
bonds (distance) C4'-P energy: -12.635
bonds (distance) P-C4' energy: -12.054
flat angles C4'-P-C4' energy: -5.035
flat angles P-C4'-P energy: -8.159
tors. eta vs tors. theta energy: -0.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -69.015219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.015219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.015219 (E_RNA)
where:
Base-Base interactions energy: -23.076
where: short stacking energy: -23.076
Base-Backbone interact. energy: -0.049
local terms energy: -45.890172
where:
bonds (distance) C4'-P energy: -10.804
bonds (distance) P-C4' energy: -12.785
flat angles C4'-P-C4' energy: -13.980
flat angles P-C4'-P energy: -9.504
tors. eta vs tors. theta energy: 1.184
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: 290
Temperature: 1.300000
Total energy: -59.972633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.972633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.972633 (E_RNA)
where:
Base-Base interactions energy: -24.344
where: short stacking energy: -16.152
Base-Backbone interact. energy: 0.202
local terms energy: -35.830039
where:
bonds (distance) C4'-P energy: -8.643
bonds (distance) P-C4' energy: -13.614
flat angles C4'-P-C4' energy: -7.608
flat angles P-C4'-P energy: -5.850
tors. eta vs tors. theta energy: -0.115
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: 9
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -60.673307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.673307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.673307 (E_RNA)
where:
Base-Base interactions energy: -13.351
where: short stacking energy: -13.351
Base-Backbone interact. energy: -0.061
local terms energy: -47.261042
where:
bonds (distance) C4'-P energy: -12.034
bonds (distance) P-C4' energy: -11.623
flat angles C4'-P-C4' energy: -12.489
flat angles P-C4'-P energy: -7.453
tors. eta vs tors. theta energy: -3.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -181.101075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.101075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.101075 (E_RNA)
where:
Base-Base interactions energy: -116.926
where: short stacking energy: -45.845
Base-Backbone interact. energy: -0.089
local terms energy: -64.085350
where:
bonds (distance) C4'-P energy: -11.143
bonds (distance) P-C4' energy: -13.370
flat angles C4'-P-C4' energy: -13.525
flat angles P-C4'-P energy: -9.336
tors. eta vs tors. theta energy: -16.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -177.397622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.397622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.397622 (E_RNA)
where:
Base-Base interactions energy: -116.867
where: short stacking energy: -42.793
Base-Backbone interact. energy: -0.009
local terms energy: -60.521523
where:
bonds (distance) C4'-P energy: -12.096
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -12.741
flat angles P-C4'-P energy: -6.508
tors. eta vs tors. theta energy: -14.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -173.411748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.411748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.411748 (E_RNA)
where:
Base-Base interactions energy: -112.081
where: short stacking energy: -48.906
Base-Backbone interact. energy: -0.120
local terms energy: -61.210026
where:
bonds (distance) C4'-P energy: -12.343
bonds (distance) P-C4' energy: -10.511
flat angles C4'-P-C4' energy: -12.688
flat angles P-C4'-P energy: -11.398
tors. eta vs tors. theta energy: -14.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -170.784727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.784727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.784727 (E_RNA)
where:
Base-Base interactions energy: -115.359
where: short stacking energy: -45.305
Base-Backbone interact. energy: -0.150
local terms energy: -55.276404
where:
bonds (distance) C4'-P energy: -10.967
bonds (distance) P-C4' energy: -9.512
flat angles C4'-P-C4' energy: -12.582
flat angles P-C4'-P energy: -5.936
tors. eta vs tors. theta energy: -16.279
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: 6
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -171.332658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.332658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.332658 (E_RNA)
where:
Base-Base interactions energy: -108.621
where: short stacking energy: -47.612
Base-Backbone interact. energy: -0.000
local terms energy: -62.710753
where:
bonds (distance) C4'-P energy: -14.065
bonds (distance) P-C4' energy: -12.874
flat angles C4'-P-C4' energy: -13.996
flat angles P-C4'-P energy: -4.629
tors. eta vs tors. theta energy: -17.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -71.498238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.498238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.498238 (E_RNA)
where:
Base-Base interactions energy: -34.881
where: short stacking energy: -15.103
Base-Backbone interact. energy: -0.411
local terms energy: -36.206258
where:
bonds (distance) C4'-P energy: -8.962
bonds (distance) P-C4' energy: -11.436
flat angles C4'-P-C4' energy: -8.631
flat angles P-C4'-P energy: -5.465
tors. eta vs tors. theta energy: -1.713
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: 10
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -73.324077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.324077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.324077 (E_RNA)
where:
Base-Base interactions energy: -33.039
where: short stacking energy: -24.213
Base-Backbone interact. energy: -0.033
local terms energy: -40.251306
where:
bonds (distance) C4'-P energy: -13.081
bonds (distance) P-C4' energy: -5.601
flat angles C4'-P-C4' energy: -10.980
flat angles P-C4'-P energy: -4.194
tors. eta vs tors. theta energy: -6.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -60.283114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.283114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.283114 (E_RNA)
where:
Base-Base interactions energy: -22.934
where: short stacking energy: -14.396
Base-Backbone interact. energy: -0.235
local terms energy: -37.114776
where:
bonds (distance) C4'-P energy: -11.103
bonds (distance) P-C4' energy: -12.165
flat angles C4'-P-C4' energy: -9.813
flat angles P-C4'-P energy: -6.270
tors. eta vs tors. theta energy: 2.237
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: 9, replica: 4
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -79.789269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.789269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.789269 (E_RNA)
where:
Base-Base interactions energy: -36.752
where: short stacking energy: -16.104
Base-Backbone interact. energy: 0.605
local terms energy: -43.642583
where:
bonds (distance) C4'-P energy: -12.593
bonds (distance) P-C4' energy: -10.697
flat angles C4'-P-C4' energy: -12.099
flat angles P-C4'-P energy: -6.983
tors. eta vs tors. theta energy: -1.270
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: 10, replica: 9
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -53.621907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.621907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.621907 (E_RNA)
where:
Base-Base interactions energy: -18.151
where: short stacking energy: -12.784
Base-Backbone interact. energy: -0.273
local terms energy: -35.197533
where:
bonds (distance) C4'-P energy: -8.419
bonds (distance) P-C4' energy: -13.720
flat angles C4'-P-C4' energy: -6.053
flat angles P-C4'-P energy: -8.181
tors. eta vs tors. theta energy: 1.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -184.203511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.203511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.203511 (E_RNA)
where:
Base-Base interactions energy: -119.099
where: short stacking energy: -46.929
Base-Backbone interact. energy: -0.002
local terms energy: -65.103048
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -14.054
flat angles C4'-P-C4' energy: -12.922
flat angles P-C4'-P energy: -8.939
tors. eta vs tors. theta energy: -13.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -183.947156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.947156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.947156 (E_RNA)
where:
Base-Base interactions energy: -121.199
where: short stacking energy: -47.830
Base-Backbone interact. energy: -0.004
local terms energy: -62.743880
where:
bonds (distance) C4'-P energy: -12.262
bonds (distance) P-C4' energy: -8.930
flat angles C4'-P-C4' energy: -13.752
flat angles P-C4'-P energy: -10.477
tors. eta vs tors. theta energy: -17.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -170.724780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.724780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.724780 (E_RNA)
where:
Base-Base interactions energy: -111.634
where: short stacking energy: -40.202
Base-Backbone interact. energy: -0.008
local terms energy: -59.082130
where:
bonds (distance) C4'-P energy: -9.889
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -10.728
flat angles P-C4'-P energy: -10.247
tors. eta vs tors. theta energy: -14.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -170.741631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.741631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.741631 (E_RNA)
where:
Base-Base interactions energy: -111.292
where: short stacking energy: -45.197
Base-Backbone interact. energy: -0.008
local terms energy: -59.441105
where:
bonds (distance) C4'-P energy: -13.752
bonds (distance) P-C4' energy: -12.036
flat angles C4'-P-C4' energy: -12.009
flat angles P-C4'-P energy: -4.677
tors. eta vs tors. theta energy: -16.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -170.538118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.538118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.538118 (E_RNA)
where:
Base-Base interactions energy: -109.101
where: short stacking energy: -43.643
Base-Backbone interact. energy: -0.005
local terms energy: -61.431470
where:
bonds (distance) C4'-P energy: -10.001
bonds (distance) P-C4' energy: -12.959
flat angles C4'-P-C4' energy: -12.581
flat angles P-C4'-P energy: -9.136
tors. eta vs tors. theta energy: -16.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -70.658585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.658585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.658585 (E_RNA)
where:
Base-Base interactions energy: -33.141
where: short stacking energy: -10.757
Base-Backbone interact. energy: -0.240
local terms energy: -37.277971
where:
bonds (distance) C4'-P energy: -11.231
bonds (distance) P-C4' energy: -10.491
flat angles C4'-P-C4' energy: -12.492
flat angles P-C4'-P energy: -6.248
tors. eta vs tors. theta energy: 3.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -65.812565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.812565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.812565 (E_RNA)
where:
Base-Base interactions energy: -22.299
where: short stacking energy: -22.299
Base-Backbone interact. energy: -0.016
local terms energy: -43.497472
where:
bonds (distance) C4'-P energy: -11.814
bonds (distance) P-C4' energy: -8.529
flat angles C4'-P-C4' energy: -9.670
flat angles P-C4'-P energy: -7.952
tors. eta vs tors. theta energy: -5.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -62.440118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.440118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.440118 (E_RNA)
where:
Base-Base interactions energy: -19.940
where: short stacking energy: -19.513
Base-Backbone interact. energy: -0.137
local terms energy: -42.363155
where:
bonds (distance) C4'-P energy: -14.485
bonds (distance) P-C4' energy: -10.986
flat angles C4'-P-C4' energy: -8.276
flat angles P-C4'-P energy: -7.688
tors. eta vs tors. theta energy: -0.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -70.310384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.310384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.310384 (E_RNA)
where:
Base-Base interactions energy: -26.219
where: short stacking energy: -17.431
Base-Backbone interact. energy: -0.347
local terms energy: -43.744381
where:
bonds (distance) C4'-P energy: -11.048
bonds (distance) P-C4' energy: -13.106
flat angles C4'-P-C4' energy: -8.871
flat angles P-C4'-P energy: -8.595
tors. eta vs tors. theta energy: -2.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -69.595467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.595467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.595467 (E_RNA)
where:
Base-Base interactions energy: -30.738
where: short stacking energy: -11.883
Base-Backbone interact. energy: 0.315
local terms energy: -39.171963
where:
bonds (distance) C4'-P energy: -7.810
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -10.896
flat angles P-C4'-P energy: -10.116
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: 1, replica: 3
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -177.871232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.871232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.871232 (E_RNA)
where:
Base-Base interactions energy: -112.034
where: short stacking energy: -44.985
Base-Backbone interact. energy: 0.843
local terms energy: -66.679724
where:
bonds (distance) C4'-P energy: -12.374
bonds (distance) P-C4' energy: -12.722
flat angles C4'-P-C4' energy: -13.849
flat angles P-C4'-P energy: -12.291
tors. eta vs tors. theta energy: -15.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -177.071269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.071269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.071269 (E_RNA)
where:
Base-Base interactions energy: -113.357
where: short stacking energy: -45.760
Base-Backbone interact. energy: -0.010
local terms energy: -63.704666
where:
bonds (distance) C4'-P energy: -10.708
bonds (distance) P-C4' energy: -14.893
flat angles C4'-P-C4' energy: -12.765
flat angles P-C4'-P energy: -10.296
tors. eta vs tors. theta energy: -15.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -168.284259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.284259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.284259 (E_RNA)
where:
Base-Base interactions energy: -109.669
where: short stacking energy: -42.556
Base-Backbone interact. energy: -0.001
local terms energy: -58.614507
where:
bonds (distance) C4'-P energy: -12.278
bonds (distance) P-C4' energy: -12.365
flat angles C4'-P-C4' energy: -12.638
flat angles P-C4'-P energy: -6.918
tors. eta vs tors. theta energy: -14.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -176.165206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.165206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.165206 (E_RNA)
where:
Base-Base interactions energy: -114.649
where: short stacking energy: -42.072
Base-Backbone interact. energy: -0.201
local terms energy: -61.314752
where:
bonds (distance) C4'-P energy: -12.492
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -13.546
flat angles P-C4'-P energy: -9.552
tors. eta vs tors. theta energy: -12.379
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: 5, replica: 8
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -172.778270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.778270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.778270 (E_RNA)
where:
Base-Base interactions energy: -114.030
where: short stacking energy: -43.225
Base-Backbone interact. energy: -0.014
local terms energy: -58.735090
where:
bonds (distance) C4'-P energy: -10.923
bonds (distance) P-C4' energy: -12.895
flat angles C4'-P-C4' energy: -12.397
flat angles P-C4'-P energy: -6.490
tors. eta vs tors. theta energy: -16.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -73.426585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.426585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.426585 (E_RNA)
where:
Base-Base interactions energy: -28.120
where: short stacking energy: -20.981
Base-Backbone interact. energy: -0.182
local terms energy: -45.124375
where:
bonds (distance) C4'-P energy: -9.316
bonds (distance) P-C4' energy: -13.662
flat angles C4'-P-C4' energy: -12.134
flat angles P-C4'-P energy: -6.012
tors. eta vs tors. theta energy: -4.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -72.777036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.777036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.777036 (E_RNA)
where:
Base-Base interactions energy: -26.543
where: short stacking energy: -20.907
Base-Backbone interact. energy: -0.159
local terms energy: -46.075090
where:
bonds (distance) C4'-P energy: -14.695
bonds (distance) P-C4' energy: -9.926
flat angles C4'-P-C4' energy: -10.243
flat angles P-C4'-P energy: -8.511
tors. eta vs tors. theta energy: -2.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -65.399462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.399462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.399462 (E_RNA)
where:
Base-Base interactions energy: -15.775
where: short stacking energy: -15.775
Base-Backbone interact. energy: -0.316
local terms energy: -49.308993
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -11.546
flat angles C4'-P-C4' energy: -12.496
flat angles P-C4'-P energy: -10.451
tors. eta vs tors. theta energy: -1.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -60.179938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.179938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.179938 (E_RNA)
where:
Base-Base interactions energy: -27.301
where: short stacking energy: -22.686
Base-Backbone interact. energy: -2.822
local terms energy: -30.056874
where:
bonds (distance) C4'-P energy: -3.757
bonds (distance) P-C4' energy: -11.680
flat angles C4'-P-C4' energy: -3.542
flat angles P-C4'-P energy: -9.006
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: 10, replica: 4
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -55.476657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.476657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.476657 (E_RNA)
where:
Base-Base interactions energy: -17.823
where: short stacking energy: -7.732
Base-Backbone interact. energy: -0.792
local terms energy: -36.861496
where:
bonds (distance) C4'-P energy: -9.745
bonds (distance) P-C4' energy: -12.145
flat angles C4'-P-C4' energy: -10.662
flat angles P-C4'-P energy: -5.306
tors. eta vs tors. theta energy: 0.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -177.277876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.277876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.277876 (E_RNA)
where:
Base-Base interactions energy: -117.211
where: short stacking energy: -49.336
Base-Backbone interact. energy: -0.161
local terms energy: -59.905904
where:
bonds (distance) C4'-P energy: -11.019
bonds (distance) P-C4' energy: -12.436
flat angles C4'-P-C4' energy: -10.930
flat angles P-C4'-P energy: -9.069
tors. eta vs tors. theta energy: -16.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -176.367069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.367069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.367069 (E_RNA)
where:
Base-Base interactions energy: -112.608
where: short stacking energy: -43.209
Base-Backbone interact. energy: -0.050
local terms energy: -63.709401
where:
bonds (distance) C4'-P energy: -11.060
bonds (distance) P-C4' energy: -12.576
flat angles C4'-P-C4' energy: -9.764
flat angles P-C4'-P energy: -11.959
tors. eta vs tors. theta energy: -18.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -170.484965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.484965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.484965 (E_RNA)
where:
Base-Base interactions energy: -110.419
where: short stacking energy: -43.493
Base-Backbone interact. energy: -0.977
local terms energy: -59.088512
where:
bonds (distance) C4'-P energy: -10.945
bonds (distance) P-C4' energy: -10.868
flat angles C4'-P-C4' energy: -13.673
flat angles P-C4'-P energy: -7.932
tors. eta vs tors. theta energy: -15.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -171.918538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.918538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.918538 (E_RNA)
where:
Base-Base interactions energy: -115.403
where: short stacking energy: -48.469
Base-Backbone interact. energy: -0.083
local terms energy: -56.432666
where:
bonds (distance) C4'-P energy: -12.378
bonds (distance) P-C4' energy: -12.038
flat angles C4'-P-C4' energy: -11.018
flat angles P-C4'-P energy: -6.090
tors. eta vs tors. theta energy: -14.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -166.527862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.527862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.527862 (E_RNA)
where:
Base-Base interactions energy: -111.672
where: short stacking energy: -35.129
Base-Backbone interact. energy: -0.808
local terms energy: -54.047026
where:
bonds (distance) C4'-P energy: -8.415
bonds (distance) P-C4' energy: -12.563
flat angles C4'-P-C4' energy: -7.553
flat angles P-C4'-P energy: -11.244
tors. eta vs tors. theta energy: -14.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -70.139103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.139103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.139103 (E_RNA)
where:
Base-Base interactions energy: -24.057
where: short stacking energy: -20.890
Base-Backbone interact. energy: -1.587
local terms energy: -44.494720
where:
bonds (distance) C4'-P energy: -8.184
bonds (distance) P-C4' energy: -10.416
flat angles C4'-P-C4' energy: -11.300
flat angles P-C4'-P energy: -10.581
tors. eta vs tors. theta energy: -4.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -89.227649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.227649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.227649 (E_RNA)
where:
Base-Base interactions energy: -51.953
where: short stacking energy: -13.295
Base-Backbone interact. energy: -0.301
local terms energy: -36.974244
where:
bonds (distance) C4'-P energy: -10.971
bonds (distance) P-C4' energy: -12.384
flat angles C4'-P-C4' energy: -8.761
flat angles P-C4'-P energy: -5.332
tors. eta vs tors. theta energy: 0.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -64.159147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.159147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.159147 (E_RNA)
where:
Base-Base interactions energy: -15.859
where: short stacking energy: -11.252
Base-Backbone interact. energy: 0.020
local terms energy: -48.320099
where:
bonds (distance) C4'-P energy: -14.154
bonds (distance) P-C4' energy: -13.014
flat angles C4'-P-C4' energy: -9.660
flat angles P-C4'-P energy: -11.141
tors. eta vs tors. theta energy: -0.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -70.186273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.186273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.186273 (E_RNA)
where:
Base-Base interactions energy: -30.908
where: short stacking energy: -18.361
Base-Backbone interact. energy: -0.132
local terms energy: -39.146208
where:
bonds (distance) C4'-P energy: -9.280
bonds (distance) P-C4' energy: -12.849
flat angles C4'-P-C4' energy: -5.757
flat angles P-C4'-P energy: -8.577
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: 10, replica: 9
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -60.713099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.713099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.713099 (E_RNA)
where:
Base-Base interactions energy: -11.539
where: short stacking energy: -11.342
Base-Backbone interact. energy: -0.224
local terms energy: -48.949350
where:
bonds (distance) C4'-P energy: -13.674
bonds (distance) P-C4' energy: -12.033
flat angles C4'-P-C4' energy: -11.254
flat angles P-C4'-P energy: -10.134
tors. eta vs tors. theta energy: -1.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -181.077496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.077496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.077496 (E_RNA)
where:
Base-Base interactions energy: -114.514
where: short stacking energy: -47.104
Base-Backbone interact. energy: -0.014
local terms energy: -66.549901
where:
bonds (distance) C4'-P energy: -13.122
bonds (distance) P-C4' energy: -12.711
flat angles C4'-P-C4' energy: -13.931
flat angles P-C4'-P energy: -9.331
tors. eta vs tors. theta energy: -17.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -178.880796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.880796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.880796 (E_RNA)
where:
Base-Base interactions energy: -113.682
where: short stacking energy: -48.160
Base-Backbone interact. energy: -0.808
local terms energy: -64.390735
where:
bonds (distance) C4'-P energy: -13.424
bonds (distance) P-C4' energy: -14.266
flat angles C4'-P-C4' energy: -10.824
flat angles P-C4'-P energy: -9.767
tors. eta vs tors. theta energy: -16.109
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: 3, replica: 3
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -174.315672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.315672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.315672 (E_RNA)
where:
Base-Base interactions energy: -110.693
where: short stacking energy: -42.703
Base-Backbone interact. energy: -0.180
local terms energy: -63.443103
where:
bonds (distance) C4'-P energy: -12.320
bonds (distance) P-C4' energy: -12.557
flat angles C4'-P-C4' energy: -11.516
flat angles P-C4'-P energy: -9.405
tors. eta vs tors. theta energy: -17.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -164.853373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.853373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.853373 (E_RNA)
where:
Base-Base interactions energy: -106.428
where: short stacking energy: -38.249
Base-Backbone interact. energy: -0.601
local terms energy: -57.824290
where:
bonds (distance) C4'-P energy: -13.628
bonds (distance) P-C4' energy: -9.104
flat angles C4'-P-C4' energy: -14.072
flat angles P-C4'-P energy: -6.542
tors. eta vs tors. theta energy: -14.479
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: 6
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -168.467937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.467937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.467937 (E_RNA)
where:
Base-Base interactions energy: -109.918
where: short stacking energy: -42.799
Base-Backbone interact. energy: -0.029
local terms energy: -58.520518
where:
bonds (distance) C4'-P energy: -10.494
bonds (distance) P-C4' energy: -11.289
flat angles C4'-P-C4' energy: -14.104
flat angles P-C4'-P energy: -6.772
tors. eta vs tors. theta energy: -15.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -72.244781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.244781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.244781 (E_RNA)
where:
Base-Base interactions energy: -30.264
where: short stacking energy: -15.712
Base-Backbone interact. energy: -0.262
local terms energy: -41.718246
where:
bonds (distance) C4'-P energy: -10.928
bonds (distance) P-C4' energy: -13.933
flat angles C4'-P-C4' energy: -11.275
flat angles P-C4'-P energy: -6.082
tors. eta vs tors. theta energy: 0.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -60.958547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.958547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.958547 (E_RNA)
where:
Base-Base interactions energy: -20.489
where: short stacking energy: -16.579
Base-Backbone interact. energy: 0.647
local terms energy: -41.115830
where:
bonds (distance) C4'-P energy: -11.239
bonds (distance) P-C4' energy: -11.116
flat angles C4'-P-C4' energy: -9.647
flat angles P-C4'-P energy: -8.525
tors. eta vs tors. theta energy: -0.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -59.070034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.070034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.070034 (E_RNA)
where:
Base-Base interactions energy: -16.621
where: short stacking energy: -12.251
Base-Backbone interact. energy: -0.294
local terms energy: -42.154977
where:
bonds (distance) C4'-P energy: -12.104
bonds (distance) P-C4' energy: -14.539
flat angles C4'-P-C4' energy: -14.169
flat angles P-C4'-P energy: -5.673
tors. eta vs tors. theta energy: 4.329
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: 5
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -60.728265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.728265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.728265 (E_RNA)
where:
Base-Base interactions energy: -29.433
where: short stacking energy: -18.219
Base-Backbone interact. energy: -0.132
local terms energy: -31.163749
where:
bonds (distance) C4'-P energy: -4.516
bonds (distance) P-C4' energy: -14.244
flat angles C4'-P-C4' energy: -10.732
flat angles P-C4'-P energy: -3.336
tors. eta vs tors. theta energy: 1.664
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: 9
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -59.445125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.445125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.445125 (E_RNA)
where:
Base-Base interactions energy: -25.119
where: short stacking energy: -7.003
Base-Backbone interact. energy: -0.167
local terms energy: -34.158705
where:
bonds (distance) C4'-P energy: -11.205
bonds (distance) P-C4' energy: -13.260
flat angles C4'-P-C4' energy: -2.642
flat angles P-C4'-P energy: -9.680
tors. eta vs tors. theta energy: 2.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -178.973175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.973175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.973175 (E_RNA)
where:
Base-Base interactions energy: -114.424
where: short stacking energy: -49.204
Base-Backbone interact. energy: -0.002
local terms energy: -64.546977
where:
bonds (distance) C4'-P energy: -14.294
bonds (distance) P-C4' energy: -12.412
flat angles C4'-P-C4' energy: -12.342
flat angles P-C4'-P energy: -8.804
tors. eta vs tors. theta energy: -16.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -177.532010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.532010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.532010 (E_RNA)
where:
Base-Base interactions energy: -124.048
where: short stacking energy: -36.470
Base-Backbone interact. energy: -0.346
local terms energy: -53.137806
where:
bonds (distance) C4'-P energy: -9.057
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -9.805
flat angles P-C4'-P energy: -7.540
tors. eta vs tors. theta energy: -13.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -180.551107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.551107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.551107 (E_RNA)
where:
Base-Base interactions energy: -113.881
where: short stacking energy: -46.999
Base-Backbone interact. energy: -0.013
local terms energy: -66.657416
where:
bonds (distance) C4'-P energy: -12.246
bonds (distance) P-C4' energy: -13.994
flat angles C4'-P-C4' energy: -11.638
flat angles P-C4'-P energy: -11.496
tors. eta vs tors. theta energy: -17.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -171.357024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.357024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.357024 (E_RNA)
where:
Base-Base interactions energy: -114.257
where: short stacking energy: -42.907
Base-Backbone interact. energy: -0.008
local terms energy: -57.092123
where:
bonds (distance) C4'-P energy: -10.539
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -13.073
flat angles P-C4'-P energy: -3.629
tors. eta vs tors. theta energy: -16.294
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: 6
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -176.686618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.686618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.686618 (E_RNA)
where:
Base-Base interactions energy: -118.238
where: short stacking energy: -47.682
Base-Backbone interact. energy: -0.097
local terms energy: -58.351187
where:
bonds (distance) C4'-P energy: -13.292
bonds (distance) P-C4' energy: -12.416
flat angles C4'-P-C4' energy: -12.578
flat angles P-C4'-P energy: -5.967
tors. eta vs tors. theta energy: -14.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -68.077240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.077240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.077240 (E_RNA)
where:
Base-Base interactions energy: -25.677
where: short stacking energy: -16.421
Base-Backbone interact. energy: 0.078
local terms energy: -42.478863
where:
bonds (distance) C4'-P energy: -11.805
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -6.759
flat angles P-C4'-P energy: -8.489
tors. eta vs tors. theta energy: -2.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -77.890846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.890846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.890846 (E_RNA)
where:
Base-Base interactions energy: -37.113
where: short stacking energy: -14.617
Base-Backbone interact. energy: -0.053
local terms energy: -40.724631
where:
bonds (distance) C4'-P energy: -10.975
bonds (distance) P-C4' energy: -11.917
flat angles C4'-P-C4' energy: -9.853
flat angles P-C4'-P energy: -4.342
tors. eta vs tors. theta energy: -3.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -59.409752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.409752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.409752 (E_RNA)
where:
Base-Base interactions energy: -23.741
where: short stacking energy: -19.265
Base-Backbone interact. energy: -0.488
local terms energy: -35.180860
where:
bonds (distance) C4'-P energy: -10.556
bonds (distance) P-C4' energy: -12.144
flat angles C4'-P-C4' energy: -6.894
flat angles P-C4'-P energy: -5.018
tors. eta vs tors. theta energy: -0.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -67.791435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.791435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.791435 (E_RNA)
where:
Base-Base interactions energy: -34.143
where: short stacking energy: -17.813
Base-Backbone interact. energy: -0.141
local terms energy: -33.506900
where:
bonds (distance) C4'-P energy: -10.597
bonds (distance) P-C4' energy: -12.398
flat angles C4'-P-C4' energy: -7.148
flat angles P-C4'-P energy: -3.873
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: 10, replica: 9
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -63.278113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.278113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.278113 (E_RNA)
where:
Base-Base interactions energy: -12.002
where: short stacking energy: -11.473
Base-Backbone interact. energy: 1.641
local terms energy: -52.917076
where:
bonds (distance) C4'-P energy: -11.061
bonds (distance) P-C4' energy: -14.051
flat angles C4'-P-C4' energy: -11.766
flat angles P-C4'-P energy: -8.211
tors. eta vs tors. theta energy: -7.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -179.059099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.059099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.059099 (E_RNA)
where:
Base-Base interactions energy: -113.099
where: short stacking energy: -46.220
Base-Backbone interact. energy: -0.005
local terms energy: -65.954357
where:
bonds (distance) C4'-P energy: -12.031
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -12.500
flat angles P-C4'-P energy: -11.003
tors. eta vs tors. theta energy: -16.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -186.179814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.179814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.179814 (E_RNA)
where:
Base-Base interactions energy: -126.473
where: short stacking energy: -45.795
Base-Backbone interact. energy: -0.107
local terms energy: -59.599327
where:
bonds (distance) C4'-P energy: -10.631
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -14.361
flat angles P-C4'-P energy: -8.020
tors. eta vs tors. theta energy: -12.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -178.801256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.801256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.801256 (E_RNA)
where:
Base-Base interactions energy: -113.137
where: short stacking energy: -46.710
Base-Backbone interact. energy: -0.004
local terms energy: -65.660744
where:
bonds (distance) C4'-P energy: -13.204
bonds (distance) P-C4' energy: -12.849
flat angles C4'-P-C4' energy: -12.947
flat angles P-C4'-P energy: -9.204
tors. eta vs tors. theta energy: -17.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -165.237550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.237550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.237550 (E_RNA)
where:
Base-Base interactions energy: -110.097
where: short stacking energy: -44.486
Base-Backbone interact. energy: -0.567
local terms energy: -54.573645
where:
bonds (distance) C4'-P energy: -10.982
bonds (distance) P-C4' energy: -10.408
flat angles C4'-P-C4' energy: -11.081
flat angles P-C4'-P energy: -5.382
tors. eta vs tors. theta energy: -16.721
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: 6
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -171.521006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.521006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.521006 (E_RNA)
where:
Base-Base interactions energy: -117.860
where: short stacking energy: -42.254
Base-Backbone interact. energy: -0.033
local terms energy: -53.628703
where:
bonds (distance) C4'-P energy: -11.500
bonds (distance) P-C4' energy: -10.405
flat angles C4'-P-C4' energy: -10.773
flat angles P-C4'-P energy: -8.577
tors. eta vs tors. theta energy: -12.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -64.491118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.491118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.491118 (E_RNA)
where:
Base-Base interactions energy: -22.568
where: short stacking energy: -20.406
Base-Backbone interact. energy: -0.390
local terms energy: -41.533249
where:
bonds (distance) C4'-P energy: -11.400
bonds (distance) P-C4' energy: -13.307
flat angles C4'-P-C4' energy: -13.184
flat angles P-C4'-P energy: -7.172
tors. eta vs tors. theta energy: 3.529
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: 7, replica: 10
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -83.204435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.204435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.204435 (E_RNA)
where:
Base-Base interactions energy: -43.647
where: short stacking energy: -13.333
Base-Backbone interact. energy: -0.784
local terms energy: -38.773234
where:
bonds (distance) C4'-P energy: -10.725
bonds (distance) P-C4' energy: -10.245
flat angles C4'-P-C4' energy: -11.716
flat angles P-C4'-P energy: -7.646
tors. eta vs tors. theta energy: 1.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -78.238311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.238311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.238311 (E_RNA)
where:
Base-Base interactions energy: -39.042
where: short stacking energy: -11.200
Base-Backbone interact. energy: 0.204
local terms energy: -39.400012
where:
bonds (distance) C4'-P energy: -12.894
bonds (distance) P-C4' energy: -11.979
flat angles C4'-P-C4' energy: -6.515
flat angles P-C4'-P energy: -2.932
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: 5
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -58.954347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.954347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.954347 (E_RNA)
where:
Base-Base interactions energy: -17.938
where: short stacking energy: -13.416
Base-Backbone interact. energy: -0.114
local terms energy: -40.902394
where:
bonds (distance) C4'-P energy: -12.801
bonds (distance) P-C4' energy: -13.272
flat angles C4'-P-C4' energy: -7.617
flat angles P-C4'-P energy: -9.130
tors. eta vs tors. theta energy: 1.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -54.390406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.390406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.390406 (E_RNA)
where:
Base-Base interactions energy: -13.409
where: short stacking energy: -7.646
Base-Backbone interact. energy: 0.476
local terms energy: -41.458260
where:
bonds (distance) C4'-P energy: -10.941
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -8.395
flat angles P-C4'-P energy: -9.160
tors. eta vs tors. theta energy: 1.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -186.029745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.029745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.029745 (E_RNA)
where:
Base-Base interactions energy: -130.899
where: short stacking energy: -41.355
Base-Backbone interact. energy: -0.050
local terms energy: -55.080622
where:
bonds (distance) C4'-P energy: -11.843
bonds (distance) P-C4' energy: -11.169
flat angles C4'-P-C4' energy: -13.037
flat angles P-C4'-P energy: -8.120
tors. eta vs tors. theta energy: -10.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -179.414618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.414618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.414618 (E_RNA)
where:
Base-Base interactions energy: -115.790
where: short stacking energy: -41.525
Base-Backbone interact. energy: -0.034
local terms energy: -63.590852
where:
bonds (distance) C4'-P energy: -14.393
bonds (distance) P-C4' energy: -12.980
flat angles C4'-P-C4' energy: -9.131
flat angles P-C4'-P energy: -8.696
tors. eta vs tors. theta energy: -18.391
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: 3
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -175.382663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.382663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.382663 (E_RNA)
where:
Base-Base interactions energy: -112.741
where: short stacking energy: -46.511
Base-Backbone interact. energy: 0.123
local terms energy: -62.764797
where:
bonds (distance) C4'-P energy: -13.309
bonds (distance) P-C4' energy: -13.469
flat angles C4'-P-C4' energy: -12.634
flat angles P-C4'-P energy: -8.110
tors. eta vs tors. theta energy: -15.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -164.528087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.528087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.528087 (E_RNA)
where:
Base-Base interactions energy: -107.953
where: short stacking energy: -37.327
Base-Backbone interact. energy: -0.019
local terms energy: -56.556007
where:
bonds (distance) C4'-P energy: -10.886
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -11.522
flat angles P-C4'-P energy: -6.546
tors. eta vs tors. theta energy: -12.319
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: 6
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -163.790788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.790788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.790788 (E_RNA)
where:
Base-Base interactions energy: -107.567
where: short stacking energy: -36.175
Base-Backbone interact. energy: -0.101
local terms energy: -56.122709
where:
bonds (distance) C4'-P energy: -9.972
bonds (distance) P-C4' energy: -8.396
flat angles C4'-P-C4' energy: -12.827
flat angles P-C4'-P energy: -9.646
tors. eta vs tors. theta energy: -15.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -87.974484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.974484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.974484 (E_RNA)
where:
Base-Base interactions energy: -48.343
where: short stacking energy: -19.409
Base-Backbone interact. energy: 0.142
local terms energy: -39.773485
where:
bonds (distance) C4'-P energy: -8.603
bonds (distance) P-C4' energy: -13.751
flat angles C4'-P-C4' energy: -11.078
flat angles P-C4'-P energy: -2.307
tors. eta vs tors. theta energy: -4.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -63.784840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.784840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.784840 (E_RNA)
where:
Base-Base interactions energy: -24.128
where: short stacking energy: -10.036
Base-Backbone interact. energy: -0.149
local terms energy: -39.508367
where:
bonds (distance) C4'-P energy: -13.904
bonds (distance) P-C4' energy: -12.324
flat angles C4'-P-C4' energy: -8.974
flat angles P-C4'-P energy: -8.699
tors. eta vs tors. theta energy: 4.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -66.386521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.386521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.386521 (E_RNA)
where:
Base-Base interactions energy: -24.429
where: short stacking energy: -13.051
Base-Backbone interact. energy: -0.167
local terms energy: -41.790792
where:
bonds (distance) C4'-P energy: -10.672
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -5.548
flat angles P-C4'-P energy: -11.040
tors. eta vs tors. theta energy: -0.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -61.093342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.093342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.093342 (E_RNA)
where:
Base-Base interactions energy: -18.883
where: short stacking energy: -15.825
Base-Backbone interact. energy: -0.289
local terms energy: -41.921406
where:
bonds (distance) C4'-P energy: -10.636
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -9.231
flat angles P-C4'-P energy: -8.143
tors. eta vs tors. theta energy: -0.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -58.195934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.195934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.195934 (E_RNA)
where:
Base-Base interactions energy: -20.670
where: short stacking energy: -11.849
Base-Backbone interact. energy: -0.177
local terms energy: -37.348568
where:
bonds (distance) C4'-P energy: -12.527
bonds (distance) P-C4' energy: -12.556
flat angles C4'-P-C4' energy: -6.696
flat angles P-C4'-P energy: -7.053
tors. eta vs tors. theta energy: 1.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -181.890510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.890510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.890510 (E_RNA)
where:
Base-Base interactions energy: -120.679
where: short stacking energy: -41.629
Base-Backbone interact. energy: -0.109
local terms energy: -61.102092
where:
bonds (distance) C4'-P energy: -11.805
bonds (distance) P-C4' energy: -11.426
flat angles C4'-P-C4' energy: -14.711
flat angles P-C4'-P energy: -8.443
tors. eta vs tors. theta energy: -14.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -176.180998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.180998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.180998 (E_RNA)
where:
Base-Base interactions energy: -116.694
where: short stacking energy: -49.323
Base-Backbone interact. energy: -0.185
local terms energy: -59.302080
where:
bonds (distance) C4'-P energy: -12.455
bonds (distance) P-C4' energy: -10.873
flat angles C4'-P-C4' energy: -11.691
flat angles P-C4'-P energy: -9.048
tors. eta vs tors. theta energy: -15.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -176.563709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.563709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.563709 (E_RNA)
where:
Base-Base interactions energy: -119.849
where: short stacking energy: -38.088
Base-Backbone interact. energy: -0.405
local terms energy: -56.310274
where:
bonds (distance) C4'-P energy: -12.088
bonds (distance) P-C4' energy: -13.408
flat angles C4'-P-C4' energy: -10.559
flat angles P-C4'-P energy: -5.176
tors. eta vs tors. theta energy: -15.079
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: 299
Temperature: 1.050000
Total energy: -171.330855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.330855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.330855 (E_RNA)
where:
Base-Base interactions energy: -108.359
where: short stacking energy: -39.038
Base-Backbone interact. energy: 0.278
local terms energy: -63.249801
where:
bonds (distance) C4'-P energy: -11.180
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -10.620
flat angles P-C4'-P energy: -10.179
tors. eta vs tors. theta energy: -17.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -164.655181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.655181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.655181 (E_RNA)
where:
Base-Base interactions energy: -107.754
where: short stacking energy: -40.973
Base-Backbone interact. energy: -0.064
local terms energy: -56.836932
where:
bonds (distance) C4'-P energy: -11.027
bonds (distance) P-C4' energy: -12.781
flat angles C4'-P-C4' energy: -13.086
flat angles P-C4'-P energy: -6.240
tors. eta vs tors. theta energy: -13.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -88.806741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.806741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.806741 (E_RNA)
where:
Base-Base interactions energy: -43.425
where: short stacking energy: -19.151
Base-Backbone interact. energy: -0.111
local terms energy: -45.270455
where:
bonds (distance) C4'-P energy: -8.233
bonds (distance) P-C4' energy: -13.476
flat angles C4'-P-C4' energy: -9.329
flat angles P-C4'-P energy: -6.813
tors. eta vs tors. theta energy: -7.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -68.559345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.559345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.559345 (E_RNA)
where:
Base-Base interactions energy: -29.253
where: short stacking energy: -18.775
Base-Backbone interact. energy: -0.250
local terms energy: -39.055907
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -12.976
flat angles C4'-P-C4' energy: -10.599
flat angles P-C4'-P energy: -5.136
tors. eta vs tors. theta energy: 2.047
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: 299
Temperature: 1.250000
Total energy: -57.306592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.306592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.306592 (E_RNA)
where:
Base-Base interactions energy: -19.782
where: short stacking energy: -12.513
Base-Backbone interact. energy: -0.101
local terms energy: -37.423147
where:
bonds (distance) C4'-P energy: -10.352
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -8.739
flat angles P-C4'-P energy: -7.688
tors. eta vs tors. theta energy: 3.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -63.099054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.099054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.099054 (E_RNA)
where:
Base-Base interactions energy: -21.716
where: short stacking energy: -21.716
Base-Backbone interact. energy: -0.203
local terms energy: -41.179827
where:
bonds (distance) C4'-P energy: -12.625
bonds (distance) P-C4' energy: -13.097
flat angles C4'-P-C4' energy: -9.051
flat angles P-C4'-P energy: -8.160
tors. eta vs tors. theta energy: 1.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -55.522571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.522571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.522571 (E_RNA)
where:
Base-Base interactions energy: -13.537
where: short stacking energy: -7.322
Base-Backbone interact. energy: -0.053
local terms energy: -41.932952
where:
bonds (distance) C4'-P energy: -12.130
bonds (distance) P-C4' energy: -14.858
flat angles C4'-P-C4' energy: -7.992
flat angles P-C4'-P energy: -6.255
tors. eta vs tors. theta energy: -0.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -185.981383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.981383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.981383 (E_RNA)
where:
Base-Base interactions energy: -122.007
where: short stacking energy: -48.585
Base-Backbone interact. energy: -0.005
local terms energy: -63.969585
where:
bonds (distance) C4'-P energy: -12.315
bonds (distance) P-C4' energy: -12.059
flat angles C4'-P-C4' energy: -13.418
flat angles P-C4'-P energy: -8.022
tors. eta vs tors. theta energy: -18.156
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: 2, replica: 1
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -178.657395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.657395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.657395 (E_RNA)
where:
Base-Base interactions energy: -118.280
where: short stacking energy: -41.427
Base-Backbone interact. energy: -0.060
local terms energy: -60.316690
where:
bonds (distance) C4'-P energy: -11.302
bonds (distance) P-C4' energy: -11.321
flat angles C4'-P-C4' energy: -10.581
flat angles P-C4'-P energy: -8.803
tors. eta vs tors. theta energy: -18.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -177.904126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.904126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.904126 (E_RNA)
where:
Base-Base interactions energy: -113.946
where: short stacking energy: -47.401
Base-Backbone interact. energy: -0.008
local terms energy: -63.949220
where:
bonds (distance) C4'-P energy: -12.360
bonds (distance) P-C4' energy: -12.656
flat angles C4'-P-C4' energy: -14.891
flat angles P-C4'-P energy: -8.040
tors. eta vs tors. theta energy: -16.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -142.346740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.346740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.346740 (E_RNA)
where:
Base-Base interactions energy: -91.723
where: short stacking energy: -29.771
Base-Backbone interact. energy: -0.214
local terms energy: -50.409814
where:
bonds (distance) C4'-P energy: -12.058
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -12.636
flat angles P-C4'-P energy: -0.459
tors. eta vs tors. theta energy: -12.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -167.438224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.438224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.438224 (E_RNA)
where:
Base-Base interactions energy: -106.991
where: short stacking energy: -39.874
Base-Backbone interact. energy: -0.001
local terms energy: -60.445871
where:
bonds (distance) C4'-P energy: -12.064
bonds (distance) P-C4' energy: -12.606
flat angles C4'-P-C4' energy: -12.831
flat angles P-C4'-P energy: -7.480
tors. eta vs tors. theta energy: -15.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -98.266621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.266621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.266621 (E_RNA)
where:
Base-Base interactions energy: -53.592
where: short stacking energy: -24.333
Base-Backbone interact. energy: 2.402
local terms energy: -47.076284
where:
bonds (distance) C4'-P energy: -11.721
bonds (distance) P-C4' energy: -10.560
flat angles C4'-P-C4' energy: -12.730
flat angles P-C4'-P energy: -8.271
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: 7, replica: 9
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -69.716110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.716110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.716110 (E_RNA)
where:
Base-Base interactions energy: -28.282
where: short stacking energy: -23.755
Base-Backbone interact. energy: -1.194
local terms energy: -40.240488
where:
bonds (distance) C4'-P energy: -5.681
bonds (distance) P-C4' energy: -13.281
flat angles C4'-P-C4' energy: -5.159
flat angles P-C4'-P energy: -7.287
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: 8, replica: 4
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -66.643012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.643012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.643012 (E_RNA)
where:
Base-Base interactions energy: -19.660
where: short stacking energy: -19.660
Base-Backbone interact. energy: -0.078
local terms energy: -46.905181
where:
bonds (distance) C4'-P energy: -13.289
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -11.865
flat angles P-C4'-P energy: -3.291
tors. eta vs tors. theta energy: -3.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -76.914463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.914463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.914463 (E_RNA)
where:
Base-Base interactions energy: -34.003
where: short stacking energy: -18.421
Base-Backbone interact. energy: -0.035
local terms energy: -42.876876
where:
bonds (distance) C4'-P energy: -11.201
bonds (distance) P-C4' energy: -11.567
flat angles C4'-P-C4' energy: -11.817
flat angles P-C4'-P energy: -5.897
tors. eta vs tors. theta energy: -2.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -67.780735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.780735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.780735 (E_RNA)
where:
Base-Base interactions energy: -38.722
where: short stacking energy: -22.904
Base-Backbone interact. energy: -0.025
local terms energy: -29.034145
where:
bonds (distance) C4'-P energy: -9.081
bonds (distance) P-C4' energy: -12.570
flat angles C4'-P-C4' energy: -7.461
flat angles P-C4'-P energy: -1.010
tors. eta vs tors. theta energy: 1.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -181.563380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.563380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.563380 (E_RNA)
where:
Base-Base interactions energy: -116.247
where: short stacking energy: -50.036
Base-Backbone interact. energy: -0.052
local terms energy: -65.264197
where:
bonds (distance) C4'-P energy: -14.083
bonds (distance) P-C4' energy: -10.697
flat angles C4'-P-C4' energy: -11.960
flat angles P-C4'-P energy: -11.048
tors. eta vs tors. theta energy: -17.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -176.947880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.947880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.947880 (E_RNA)
where:
Base-Base interactions energy: -116.577
where: short stacking energy: -41.766
Base-Backbone interact. energy: -0.036
local terms energy: -60.334965
where:
bonds (distance) C4'-P energy: -13.168
bonds (distance) P-C4' energy: -12.669
flat angles C4'-P-C4' energy: -10.266
flat angles P-C4'-P energy: -7.770
tors. eta vs tors. theta energy: -16.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -177.368612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.368612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.368612 (E_RNA)
where:
Base-Base interactions energy: -114.566
where: short stacking energy: -46.818
Base-Backbone interact. energy: -0.710
local terms energy: -62.092872
where:
bonds (distance) C4'-P energy: -11.856
bonds (distance) P-C4' energy: -13.766
flat angles C4'-P-C4' energy: -12.703
flat angles P-C4'-P energy: -6.263
tors. eta vs tors. theta energy: -17.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -169.121021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.121021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.121021 (E_RNA)
where:
Base-Base interactions energy: -112.741
where: short stacking energy: -39.635
Base-Backbone interact. energy: -0.104
local terms energy: -56.275849
where:
bonds (distance) C4'-P energy: -11.665
bonds (distance) P-C4' energy: -11.916
flat angles C4'-P-C4' energy: -13.302
flat angles P-C4'-P energy: -4.308
tors. eta vs tors. theta energy: -15.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -136.456573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.456573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.456573 (E_RNA)
where:
Base-Base interactions energy: -77.898
where: short stacking energy: -32.986
Base-Backbone interact. energy: -0.230
local terms energy: -58.328241
where:
bonds (distance) C4'-P energy: -11.594
bonds (distance) P-C4' energy: -13.616
flat angles C4'-P-C4' energy: -12.379
flat angles P-C4'-P energy: -8.596
tors. eta vs tors. theta energy: -12.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -75.315326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.315326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.315326 (E_RNA)
where:
Base-Base interactions energy: -31.630
where: short stacking energy: -31.630
Base-Backbone interact. energy: -0.561
local terms energy: -43.123719
where:
bonds (distance) C4'-P energy: -10.079
bonds (distance) P-C4' energy: -11.020
flat angles C4'-P-C4' energy: -11.341
flat angles P-C4'-P energy: -5.919
tors. eta vs tors. theta energy: -4.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -91.478074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.478074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.478074 (E_RNA)
where:
Base-Base interactions energy: -49.171
where: short stacking energy: -29.644
Base-Backbone interact. energy: -0.078
local terms energy: -42.228596
where:
bonds (distance) C4'-P energy: -10.377
bonds (distance) P-C4' energy: -7.904
flat angles C4'-P-C4' energy: -6.991
flat angles P-C4'-P energy: -10.201
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: 8, replica: 5
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -63.924580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.924580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.924580 (E_RNA)
where:
Base-Base interactions energy: -20.713
where: short stacking energy: -19.157
Base-Backbone interact. energy: -1.635
local terms energy: -41.577013
where:
bonds (distance) C4'-P energy: -14.563
bonds (distance) P-C4' energy: -12.024
flat angles C4'-P-C4' energy: -10.301
flat angles P-C4'-P energy: -5.917
tors. eta vs tors. theta energy: 1.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -65.386983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.386983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.386983 (E_RNA)
where:
Base-Base interactions energy: -20.503
where: short stacking energy: -16.665
Base-Backbone interact. energy: 0.673
local terms energy: -45.556841
where:
bonds (distance) C4'-P energy: -12.050
bonds (distance) P-C4' energy: -14.671
flat angles C4'-P-C4' energy: -10.300
flat angles P-C4'-P energy: -4.771
tors. eta vs tors. theta energy: -3.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -58.366259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.366259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.366259 (E_RNA)
where:
Base-Base interactions energy: -15.136
where: short stacking energy: -13.248
Base-Backbone interact. energy: -0.197
local terms energy: -43.033922
where:
bonds (distance) C4'-P energy: -8.543
bonds (distance) P-C4' energy: -11.202
flat angles C4'-P-C4' energy: -11.967
flat angles P-C4'-P energy: -7.455
tors. eta vs tors. theta energy: -3.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -180.774995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.774995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.774995 (E_RNA)
where:
Base-Base interactions energy: -121.218
where: short stacking energy: -45.323
Base-Backbone interact. energy: 0.167
local terms energy: -59.724316
where:
bonds (distance) C4'-P energy: -13.516
bonds (distance) P-C4' energy: -11.553
flat angles C4'-P-C4' energy: -11.397
flat angles P-C4'-P energy: -8.153
tors. eta vs tors. theta energy: -15.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -174.340750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.340750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.340750 (E_RNA)
where:
Base-Base interactions energy: -111.776
where: short stacking energy: -43.704
Base-Backbone interact. energy: -0.003
local terms energy: -62.562105
where:
bonds (distance) C4'-P energy: -13.450
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -12.217
flat angles P-C4'-P energy: -6.604
tors. eta vs tors. theta energy: -17.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -171.081450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.081450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.081450 (E_RNA)
where:
Base-Base interactions energy: -112.545
where: short stacking energy: -41.698
Base-Backbone interact. energy: -0.001
local terms energy: -58.535133
where:
bonds (distance) C4'-P energy: -10.336
bonds (distance) P-C4' energy: -12.404
flat angles C4'-P-C4' energy: -12.045
flat angles P-C4'-P energy: -8.600
tors. eta vs tors. theta energy: -15.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -174.714113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.714113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.714113 (E_RNA)
where:
Base-Base interactions energy: -111.684
where: short stacking energy: -45.834
Base-Backbone interact. energy: -0.022
local terms energy: -63.007907
where:
bonds (distance) C4'-P energy: -10.121
bonds (distance) P-C4' energy: -12.961
flat angles C4'-P-C4' energy: -14.646
flat angles P-C4'-P energy: -8.887
tors. eta vs tors. theta energy: -16.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -122.965032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.965032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.965032 (E_RNA)
where:
Base-Base interactions energy: -74.558
where: short stacking energy: -22.339
Base-Backbone interact. energy: 0.076
local terms energy: -48.482750
where:
bonds (distance) C4'-P energy: -10.202
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -9.421
flat angles P-C4'-P energy: -8.243
tors. eta vs tors. theta energy: -5.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -89.727192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.727192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.727192 (E_RNA)
where:
Base-Base interactions energy: -43.144
where: short stacking energy: -22.170
Base-Backbone interact. energy: -0.052
local terms energy: -46.530845
where:
bonds (distance) C4'-P energy: -13.602
bonds (distance) P-C4' energy: -13.143
flat angles C4'-P-C4' energy: -10.614
flat angles P-C4'-P energy: -6.605
tors. eta vs tors. theta energy: -2.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -73.703540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.703540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.703540 (E_RNA)
where:
Base-Base interactions energy: -32.889
where: short stacking energy: -30.052
Base-Backbone interact. energy: -0.002
local terms energy: -40.813007
where:
bonds (distance) C4'-P energy: -11.218
bonds (distance) P-C4' energy: -13.773
flat angles C4'-P-C4' energy: -5.258
flat angles P-C4'-P energy: -3.111
tors. eta vs tors. theta energy: -7.453
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: 8, replica: 2
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -81.649747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.649747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.649747 (E_RNA)
where:
Base-Base interactions energy: -30.505
where: short stacking energy: -26.918
Base-Backbone interact. energy: -0.050
local terms energy: -51.094557
where:
bonds (distance) C4'-P energy: -9.599
bonds (distance) P-C4' energy: -14.618
flat angles C4'-P-C4' energy: -8.731
flat angles P-C4'-P energy: -8.962
tors. eta vs tors. theta energy: -9.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -56.554419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.554419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.554419 (E_RNA)
where:
Base-Base interactions energy: -28.183
where: short stacking energy: -9.757
Base-Backbone interact. energy: -1.918
local terms energy: -26.453830
where:
bonds (distance) C4'-P energy: -5.833
bonds (distance) P-C4' energy: -10.849
flat angles C4'-P-C4' energy: -9.404
flat angles P-C4'-P energy: -2.908
tors. eta vs tors. theta energy: 2.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -63.970617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.970617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.970617 (E_RNA)
where:
Base-Base interactions energy: -22.707
where: short stacking energy: -21.930
Base-Backbone interact. energy: -0.452
local terms energy: -40.811979
where:
bonds (distance) C4'-P energy: -7.641
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -11.944
flat angles P-C4'-P energy: -5.546
tors. eta vs tors. theta energy: -0.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -181.703061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.703061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.703061 (E_RNA)
where:
Base-Base interactions energy: -121.914
where: short stacking energy: -48.855
Base-Backbone interact. energy: -0.011
local terms energy: -59.777574
where:
bonds (distance) C4'-P energy: -10.756
bonds (distance) P-C4' energy: -8.061
flat angles C4'-P-C4' energy: -14.118
flat angles P-C4'-P energy: -9.156
tors. eta vs tors. theta energy: -17.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -177.103845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.103845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.103845 (E_RNA)
where:
Base-Base interactions energy: -117.958
where: short stacking energy: -46.171
Base-Backbone interact. energy: -0.056
local terms energy: -59.089783
where:
bonds (distance) C4'-P energy: -10.900
bonds (distance) P-C4' energy: -10.451
flat angles C4'-P-C4' energy: -13.162
flat angles P-C4'-P energy: -8.369
tors. eta vs tors. theta energy: -16.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -172.197651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.197651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.197651 (E_RNA)
where:
Base-Base interactions energy: -109.597
where: short stacking energy: -40.302
Base-Backbone interact. energy: -0.037
local terms energy: -62.563867
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -10.810
flat angles C4'-P-C4' energy: -11.880
flat angles P-C4'-P energy: -8.228
tors. eta vs tors. theta energy: -17.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -164.881781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.881781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.881781 (E_RNA)
where:
Base-Base interactions energy: -106.087
where: short stacking energy: -36.509
Base-Backbone interact. energy: -0.074
local terms energy: -58.721164
where:
bonds (distance) C4'-P energy: -10.050
bonds (distance) P-C4' energy: -11.500
flat angles C4'-P-C4' energy: -14.230
flat angles P-C4'-P energy: -9.719
tors. eta vs tors. theta energy: -13.222
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: 8
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -121.019715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.019715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.019715 (E_RNA)
where:
Base-Base interactions energy: -62.076
where: short stacking energy: -24.942
Base-Backbone interact. energy: -0.001
local terms energy: -58.943258
where:
bonds (distance) C4'-P energy: -13.247
bonds (distance) P-C4' energy: -12.053
flat angles C4'-P-C4' energy: -13.867
flat angles P-C4'-P energy: -7.266
tors. eta vs tors. theta energy: -12.511
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: 5
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -69.099750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.099750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.099750 (E_RNA)
where:
Base-Base interactions energy: -31.786
where: short stacking energy: -22.610
Base-Backbone interact. energy: -0.176
local terms energy: -37.137527
where:
bonds (distance) C4'-P energy: -6.075
bonds (distance) P-C4' energy: -12.426
flat angles C4'-P-C4' energy: -8.410
flat angles P-C4'-P energy: -5.579
tors. eta vs tors. theta energy: -4.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -65.044731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.044731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.044731 (E_RNA)
where:
Base-Base interactions energy: -23.924
where: short stacking energy: -5.901
Base-Backbone interact. energy: -0.076
local terms energy: -41.044303
where:
bonds (distance) C4'-P energy: -12.232
bonds (distance) P-C4' energy: -12.591
flat angles C4'-P-C4' energy: -12.721
flat angles P-C4'-P energy: -7.312
tors. eta vs tors. theta energy: 3.813
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: 10
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -67.348791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.348791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.348791 (E_RNA)
where:
Base-Base interactions energy: -21.941
where: short stacking energy: -18.057
Base-Backbone interact. energy: -0.013
local terms energy: -45.394734
where:
bonds (distance) C4'-P energy: -8.209
bonds (distance) P-C4' energy: -11.123
flat angles C4'-P-C4' energy: -13.896
flat angles P-C4'-P energy: -7.980
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: 9, replica: 2
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -66.341718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.341718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.341718 (E_RNA)
where:
Base-Base interactions energy: -24.591
where: short stacking energy: -10.200
Base-Backbone interact. energy: -0.178
local terms energy: -41.573030
where:
bonds (distance) C4'-P energy: -11.350
bonds (distance) P-C4' energy: -13.043
flat angles C4'-P-C4' energy: -10.732
flat angles P-C4'-P energy: -8.149
tors. eta vs tors. theta energy: 1.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -58.059871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.059871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.059871 (E_RNA)
where:
Base-Base interactions energy: -19.272
where: short stacking energy: -13.139
Base-Backbone interact. energy: -0.035
local terms energy: -38.752834
where:
bonds (distance) C4'-P energy: -10.378
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -12.842
flat angles P-C4'-P energy: -9.142
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: 1, replica: 7
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -177.397485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.397485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.397485 (E_RNA)
where:
Base-Base interactions energy: -115.040
where: short stacking energy: -47.534
Base-Backbone interact. energy: -0.027
local terms energy: -62.330457
where:
bonds (distance) C4'-P energy: -10.514
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -12.296
flat angles P-C4'-P energy: -9.000
tors. eta vs tors. theta energy: -17.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -177.231017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.231017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.231017 (E_RNA)
where:
Base-Base interactions energy: -116.604
where: short stacking energy: -42.586
Base-Backbone interact. energy: -0.014
local terms energy: -60.612869
where:
bonds (distance) C4'-P energy: -11.274
bonds (distance) P-C4' energy: -11.433
flat angles C4'-P-C4' energy: -10.320
flat angles P-C4'-P energy: -11.204
tors. eta vs tors. theta energy: -16.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -175.937312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.937312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.937312 (E_RNA)
where:
Base-Base interactions energy: -116.391
where: short stacking energy: -39.074
Base-Backbone interact. energy: -0.032
local terms energy: -59.514422
where:
bonds (distance) C4'-P energy: -10.961
bonds (distance) P-C4' energy: -10.886
flat angles C4'-P-C4' energy: -11.063
flat angles P-C4'-P energy: -9.748
tors. eta vs tors. theta energy: -16.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -109.995019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.995019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.995019 (E_RNA)
where:
Base-Base interactions energy: -75.845
where: short stacking energy: -18.423
Base-Backbone interact. energy: 0.450
local terms energy: -34.600003
where:
bonds (distance) C4'-P energy: -11.499
bonds (distance) P-C4' energy: -10.439
flat angles C4'-P-C4' energy: -6.084
flat angles P-C4'-P energy: -4.610
tors. eta vs tors. theta energy: -1.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -84.978344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.978344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.978344 (E_RNA)
where:
Base-Base interactions energy: -40.715
where: short stacking energy: -19.279
Base-Backbone interact. energy: -0.134
local terms energy: -44.129594
where:
bonds (distance) C4'-P energy: -12.654
bonds (distance) P-C4' energy: -11.055
flat angles C4'-P-C4' energy: -9.744
flat angles P-C4'-P energy: -8.833
tors. eta vs tors. theta energy: -1.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -106.079953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.079953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.079953 (E_RNA)
where:
Base-Base interactions energy: -62.607
where: short stacking energy: -20.718
Base-Backbone interact. energy: -0.661
local terms energy: -42.812373
where:
bonds (distance) C4'-P energy: -9.052
bonds (distance) P-C4' energy: -12.895
flat angles C4'-P-C4' energy: -6.364
flat angles P-C4'-P energy: -10.639
tors. eta vs tors. theta energy: -3.863
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: 10
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -63.762127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.762127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.762127 (E_RNA)
where:
Base-Base interactions energy: -22.719
where: short stacking energy: -7.974
Base-Backbone interact. energy: -0.144
local terms energy: -40.898762
where:
bonds (distance) C4'-P energy: -12.883
bonds (distance) P-C4' energy: -13.017
flat angles C4'-P-C4' energy: -10.794
flat angles P-C4'-P energy: -5.273
tors. eta vs tors. theta energy: 1.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -60.024868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.024868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.024868 (E_RNA)
where:
Base-Base interactions energy: -12.929
where: short stacking energy: -12.929
Base-Backbone interact. energy: -0.160
local terms energy: -46.936113
where:
bonds (distance) C4'-P energy: -11.512
bonds (distance) P-C4' energy: -11.310
flat angles C4'-P-C4' energy: -11.230
flat angles P-C4'-P energy: -9.213
tors. eta vs tors. theta energy: -3.671
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: 9, replica: 4
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -62.439518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.439518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.439518 (E_RNA)
where:
Base-Base interactions energy: -17.610
where: short stacking energy: -17.460
Base-Backbone interact. energy: -0.213
local terms energy: -44.616943
where:
bonds (distance) C4'-P energy: -14.270
bonds (distance) P-C4' energy: -13.353
flat angles C4'-P-C4' energy: -7.988
flat angles P-C4'-P energy: -7.997
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: 10, replica: 2
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -74.324264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.324264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.324264 (E_RNA)
where:
Base-Base interactions energy: -35.038
where: short stacking energy: -26.286
Base-Backbone interact. energy: -0.208
local terms energy: -39.077858
where:
bonds (distance) C4'-P energy: -10.899
bonds (distance) P-C4' energy: -14.463
flat angles C4'-P-C4' energy: -5.483
flat angles P-C4'-P energy: -5.847
tors. eta vs tors. theta energy: -2.385
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: 305
Temperature: 0.900000
Total energy: -181.910381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.910381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.910381 (E_RNA)
where:
Base-Base interactions energy: -117.881
where: short stacking energy: -48.089
Base-Backbone interact. energy: -0.150
local terms energy: -63.879525
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -12.070
flat angles C4'-P-C4' energy: -13.321
flat angles P-C4'-P energy: -7.437
tors. eta vs tors. theta energy: -18.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -178.778608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.778608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.778608 (E_RNA)
where:
Base-Base interactions energy: -119.092
where: short stacking energy: -42.111
Base-Backbone interact. energy: -0.108
local terms energy: -59.578033
where:
bonds (distance) C4'-P energy: -13.586
bonds (distance) P-C4' energy: -12.788
flat angles C4'-P-C4' energy: -11.978
flat angles P-C4'-P energy: -8.470
tors. eta vs tors. theta energy: -12.756
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: 6
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -175.432511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.432511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.432511 (E_RNA)
where:
Base-Base interactions energy: -110.017
where: short stacking energy: -44.615
Base-Backbone interact. energy: -0.001
local terms energy: -65.414562
where:
bonds (distance) C4'-P energy: -13.806
bonds (distance) P-C4' energy: -13.665
flat angles C4'-P-C4' energy: -12.368
flat angles P-C4'-P energy: -6.694
tors. eta vs tors. theta energy: -18.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -79.401674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.401674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.401674 (E_RNA)
where:
Base-Base interactions energy: -33.616
where: short stacking energy: -17.644
Base-Backbone interact. energy: -0.111
local terms energy: -45.675091
where:
bonds (distance) C4'-P energy: -12.269
bonds (distance) P-C4' energy: -10.693
flat angles C4'-P-C4' energy: -11.146
flat angles P-C4'-P energy: -8.856
tors. eta vs tors. theta energy: -2.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -116.534874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.534874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.534874 (E_RNA)
where:
Base-Base interactions energy: -73.655
where: short stacking energy: -21.340
Base-Backbone interact. energy: -0.214
local terms energy: -42.665941
where:
bonds (distance) C4'-P energy: -9.777
bonds (distance) P-C4' energy: -13.665
flat angles C4'-P-C4' energy: -8.456
flat angles P-C4'-P energy: -7.221
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: 6, replica: 8
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -94.090567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.090567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.090567 (E_RNA)
where:
Base-Base interactions energy: -45.678
where: short stacking energy: -20.515
Base-Backbone interact. energy: -0.648
local terms energy: -47.764538
where:
bonds (distance) C4'-P energy: -10.801
bonds (distance) P-C4' energy: -11.950
flat angles C4'-P-C4' energy: -11.232
flat angles P-C4'-P energy: -7.519
tors. eta vs tors. theta energy: -6.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -65.027093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.027093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.027093 (E_RNA)
where:
Base-Base interactions energy: -27.139
where: short stacking energy: -27.139
Base-Backbone interact. energy: -0.121
local terms energy: -37.767040
where:
bonds (distance) C4'-P energy: -13.028
bonds (distance) P-C4' energy: -10.939
flat angles C4'-P-C4' energy: -10.938
flat angles P-C4'-P energy: -3.352
tors. eta vs tors. theta energy: 0.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -69.828468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.828468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.828468 (E_RNA)
where:
Base-Base interactions energy: -19.759
where: short stacking energy: -14.971
Base-Backbone interact. energy: -1.706
local terms energy: -48.363133
where:
bonds (distance) C4'-P energy: -13.078
bonds (distance) P-C4' energy: -12.469
flat angles C4'-P-C4' energy: -11.077
flat angles P-C4'-P energy: -8.727
tors. eta vs tors. theta energy: -3.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -54.457267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.457267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.457267 (E_RNA)
where:
Base-Base interactions energy: -12.451
where: short stacking energy: -12.451
Base-Backbone interact. energy: -0.074
local terms energy: -41.932649
where:
bonds (distance) C4'-P energy: -9.650
bonds (distance) P-C4' energy: -14.643
flat angles C4'-P-C4' energy: -11.843
flat angles P-C4'-P energy: -4.776
tors. eta vs tors. theta energy: -1.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -62.602076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.602076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.602076 (E_RNA)
where:
Base-Base interactions energy: -25.164
where: short stacking energy: -14.667
Base-Backbone interact. energy: -0.446
local terms energy: -36.992127
where:
bonds (distance) C4'-P energy: -7.878
bonds (distance) P-C4' energy: -13.683
flat angles C4'-P-C4' energy: -13.314
flat angles P-C4'-P energy: -5.098
tors. eta vs tors. theta energy: 2.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -177.519508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.519508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.519508 (E_RNA)
where:
Base-Base interactions energy: -118.916
where: short stacking energy: -41.587
Base-Backbone interact. energy: -0.058
local terms energy: -58.545735
where:
bonds (distance) C4'-P energy: -10.907
bonds (distance) P-C4' energy: -12.864
flat angles C4'-P-C4' energy: -12.381
flat angles P-C4'-P energy: -9.893
tors. eta vs tors. theta energy: -12.501
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: 7
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -179.826877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.826877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.826877 (E_RNA)
where:
Base-Base interactions energy: -114.943
where: short stacking energy: -45.107
Base-Backbone interact. energy: -0.010
local terms energy: -64.873128
where:
bonds (distance) C4'-P energy: -12.928
bonds (distance) P-C4' energy: -12.064
flat angles C4'-P-C4' energy: -13.753
flat angles P-C4'-P energy: -8.741
tors. eta vs tors. theta energy: -17.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -175.455557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.455557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.455557 (E_RNA)
where:
Base-Base interactions energy: -110.328
where: short stacking energy: -46.143
Base-Backbone interact. energy: -0.076
local terms energy: -65.051536
where:
bonds (distance) C4'-P energy: -11.706
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -8.816
flat angles P-C4'-P energy: -11.235
tors. eta vs tors. theta energy: -17.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -113.248645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.248645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.248645 (E_RNA)
where:
Base-Base interactions energy: -53.824
where: short stacking energy: -24.353
Base-Backbone interact. energy: -0.144
local terms energy: -59.280596
where:
bonds (distance) C4'-P energy: -11.115
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -12.810
flat angles P-C4'-P energy: -9.541
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: 5, replica: 1
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -112.175469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.175469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.175469 (E_RNA)
where:
Base-Base interactions energy: -61.181
where: short stacking energy: -22.860
Base-Backbone interact. energy: -0.102
local terms energy: -50.892664
where:
bonds (distance) C4'-P energy: -11.499
bonds (distance) P-C4' energy: -10.139
flat angles C4'-P-C4' energy: -11.372
flat angles P-C4'-P energy: -10.591
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: 6, replica: 8
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -75.778681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.778681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.778681 (E_RNA)
where:
Base-Base interactions energy: -29.238
where: short stacking energy: -29.238
Base-Backbone interact. energy: -0.041
local terms energy: -46.499160
where:
bonds (distance) C4'-P energy: -10.071
bonds (distance) P-C4' energy: -11.172
flat angles C4'-P-C4' energy: -7.534
flat angles P-C4'-P energy: -9.330
tors. eta vs tors. theta energy: -8.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -88.828945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.828945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.828945 (E_RNA)
where:
Base-Base interactions energy: -40.031
where: short stacking energy: -22.301
Base-Backbone interact. energy: -0.070
local terms energy: -48.727606
where:
bonds (distance) C4'-P energy: -13.719
bonds (distance) P-C4' energy: -11.746
flat angles C4'-P-C4' energy: -11.117
flat angles P-C4'-P energy: -7.593
tors. eta vs tors. theta energy: -4.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -74.560507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.560507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.560507 (E_RNA)
where:
Base-Base interactions energy: -37.823
where: short stacking energy: -16.211
Base-Backbone interact. energy: -0.451
local terms energy: -36.286727
where:
bonds (distance) C4'-P energy: -9.918
bonds (distance) P-C4' energy: -11.855
flat angles C4'-P-C4' energy: -7.785
flat angles P-C4'-P energy: -6.972
tors. eta vs tors. theta energy: 0.243
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: 9
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -66.961981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.961981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.961981 (E_RNA)
where:
Base-Base interactions energy: -32.747
where: short stacking energy: -11.596
Base-Backbone interact. energy: -0.243
local terms energy: -33.972252
where:
bonds (distance) C4'-P energy: -5.576
bonds (distance) P-C4' energy: -10.225
flat angles C4'-P-C4' energy: -7.023
flat angles P-C4'-P energy: -10.704
tors. eta vs tors. theta energy: -0.444
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: 2
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -57.138977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.138977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.138977 (E_RNA)
where:
Base-Base interactions energy: -12.090
where: short stacking energy: -11.995
Base-Backbone interact. energy: -0.115
local terms energy: -44.934069
where:
bonds (distance) C4'-P energy: -12.775
bonds (distance) P-C4' energy: -10.630
flat angles C4'-P-C4' energy: -9.188
flat angles P-C4'-P energy: -8.244
tors. eta vs tors. theta energy: -4.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -184.874232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.874232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.874232 (E_RNA)
where:
Base-Base interactions energy: -118.921
where: short stacking energy: -48.440
Base-Backbone interact. energy: -0.012
local terms energy: -65.941093
where:
bonds (distance) C4'-P energy: -13.594
bonds (distance) P-C4' energy: -13.046
flat angles C4'-P-C4' energy: -14.582
flat angles P-C4'-P energy: -7.132
tors. eta vs tors. theta energy: -17.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -182.242630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.242630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.242630 (E_RNA)
where:
Base-Base interactions energy: -120.085
where: short stacking energy: -38.815
Base-Backbone interact. energy: -0.129
local terms energy: -62.028823
where:
bonds (distance) C4'-P energy: -11.772
bonds (distance) P-C4' energy: -13.371
flat angles C4'-P-C4' energy: -13.286
flat angles P-C4'-P energy: -7.649
tors. eta vs tors. theta energy: -15.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -176.912414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.912414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.912414 (E_RNA)
where:
Base-Base interactions energy: -114.899
where: short stacking energy: -45.830
Base-Backbone interact. energy: -0.049
local terms energy: -61.963923
where:
bonds (distance) C4'-P energy: -11.416
bonds (distance) P-C4' energy: -12.594
flat angles C4'-P-C4' energy: -13.134
flat angles P-C4'-P energy: -10.178
tors. eta vs tors. theta energy: -14.643
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: 5
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -103.530925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.530925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.530925 (E_RNA)
where:
Base-Base interactions energy: -48.360
where: short stacking energy: -29.490
Base-Backbone interact. energy: -1.914
local terms energy: -53.256688
where:
bonds (distance) C4'-P energy: -8.986
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -8.839
flat angles P-C4'-P energy: -10.070
tors. eta vs tors. theta energy: -11.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -71.761563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.761563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.761563 (E_RNA)
where:
Base-Base interactions energy: -36.491
where: short stacking energy: -12.317
Base-Backbone interact. energy: -0.972
local terms energy: -34.298930
where:
bonds (distance) C4'-P energy: -8.518
bonds (distance) P-C4' energy: -8.555
flat angles C4'-P-C4' energy: -9.184
flat angles P-C4'-P energy: -5.988
tors. eta vs tors. theta energy: -2.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -96.162555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.162555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.162555 (E_RNA)
where:
Base-Base interactions energy: -58.735
where: short stacking energy: -30.334
Base-Backbone interact. energy: -0.483
local terms energy: -36.944770
where:
bonds (distance) C4'-P energy: 0.030
bonds (distance) P-C4' energy: -10.672
flat angles C4'-P-C4' energy: -9.453
flat angles P-C4'-P energy: -8.043
tors. eta vs tors. theta energy: -8.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -67.877729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.877729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.877729 (E_RNA)
where:
Base-Base interactions energy: -21.791
where: short stacking energy: -10.790
Base-Backbone interact. energy: -0.432
local terms energy: -45.655005
where:
bonds (distance) C4'-P energy: -8.320
bonds (distance) P-C4' energy: -11.253
flat angles C4'-P-C4' energy: -14.169
flat angles P-C4'-P energy: -10.460
tors. eta vs tors. theta energy: -1.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -64.226881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.226881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.226881 (E_RNA)
where:
Base-Base interactions energy: -22.421
where: short stacking energy: -9.306
Base-Backbone interact. energy: -0.188
local terms energy: -41.618263
where:
bonds (distance) C4'-P energy: -11.801
bonds (distance) P-C4' energy: -13.018
flat angles C4'-P-C4' energy: -10.065
flat angles P-C4'-P energy: -6.227
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: 9, replica: 10
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -70.521359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.521359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.521359 (E_RNA)
where:
Base-Base interactions energy: -22.022
where: short stacking energy: -20.639
Base-Backbone interact. energy: -0.081
local terms energy: -48.418546
where:
bonds (distance) C4'-P energy: -11.306
bonds (distance) P-C4' energy: -10.898
flat angles C4'-P-C4' energy: -12.605
flat angles P-C4'-P energy: -8.320
tors. eta vs tors. theta energy: -5.290
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: 2
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -59.512508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.512508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.512508 (E_RNA)
where:
Base-Base interactions energy: -21.078
where: short stacking energy: -15.752
Base-Backbone interact. energy: -0.113
local terms energy: -38.320828
where:
bonds (distance) C4'-P energy: -11.115
bonds (distance) P-C4' energy: -10.690
flat angles C4'-P-C4' energy: -7.987
flat angles P-C4'-P energy: -6.659
tors. eta vs tors. theta energy: -1.870
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: 6
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -183.855399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.855399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.855399 (E_RNA)
where:
Base-Base interactions energy: -117.568
where: short stacking energy: -47.470
Base-Backbone interact. energy: -0.023
local terms energy: -66.265013
where:
bonds (distance) C4'-P energy: -12.945
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -11.143
flat angles P-C4'-P energy: -9.619
tors. eta vs tors. theta energy: -17.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -168.492022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.492022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.492022 (E_RNA)
where:
Base-Base interactions energy: -116.438
where: short stacking energy: -41.371
Base-Backbone interact. energy: -0.157
local terms energy: -51.896891
where:
bonds (distance) C4'-P energy: -11.509
bonds (distance) P-C4' energy: -8.285
flat angles C4'-P-C4' energy: -12.293
flat angles P-C4'-P energy: -7.711
tors. eta vs tors. theta energy: -12.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -176.137530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.137530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.137530 (E_RNA)
where:
Base-Base interactions energy: -117.328
where: short stacking energy: -41.207
Base-Backbone interact. energy: -0.031
local terms energy: -58.778307
where:
bonds (distance) C4'-P energy: -10.754
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -11.299
flat angles P-C4'-P energy: -4.765
tors. eta vs tors. theta energy: -16.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -79.925219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.925219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.925219 (E_RNA)
where:
Base-Base interactions energy: -33.773
where: short stacking energy: -22.058
Base-Backbone interact. energy: -0.034
local terms energy: -46.117658
where:
bonds (distance) C4'-P energy: -12.572
bonds (distance) P-C4' energy: -12.388
flat angles C4'-P-C4' energy: -10.683
flat angles P-C4'-P energy: -8.397
tors. eta vs tors. theta energy: -2.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -107.069690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.069690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.069690 (E_RNA)
where:
Base-Base interactions energy: -60.499
where: short stacking energy: -25.913
Base-Backbone interact. energy: -0.986
local terms energy: -45.584313
where:
bonds (distance) C4'-P energy: -11.996
bonds (distance) P-C4' energy: -9.930
flat angles C4'-P-C4' energy: -11.543
flat angles P-C4'-P energy: -5.910
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: 6, replica: 4
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -78.812273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.812273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.812273 (E_RNA)
where:
Base-Base interactions energy: -35.123
where: short stacking energy: -5.788
Base-Backbone interact. energy: -0.793
local terms energy: -42.896394
where:
bonds (distance) C4'-P energy: -12.365
bonds (distance) P-C4' energy: -13.144
flat angles C4'-P-C4' energy: -10.535
flat angles P-C4'-P energy: -8.033
tors. eta vs tors. theta energy: 1.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -61.225921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.225921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.225921 (E_RNA)
where:
Base-Base interactions energy: -19.821
where: short stacking energy: -8.523
Base-Backbone interact. energy: -0.104
local terms energy: -41.300953
where:
bonds (distance) C4'-P energy: -10.308
bonds (distance) P-C4' energy: -11.022
flat angles C4'-P-C4' energy: -12.389
flat angles P-C4'-P energy: -9.905
tors. eta vs tors. theta energy: 2.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -63.432346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.432346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.432346 (E_RNA)
where:
Base-Base interactions energy: -23.609
where: short stacking energy: -12.993
Base-Backbone interact. energy: 0.045
local terms energy: -39.867911
where:
bonds (distance) C4'-P energy: -12.025
bonds (distance) P-C4' energy: -11.581
flat angles C4'-P-C4' energy: -12.531
flat angles P-C4'-P energy: -4.736
tors. eta vs tors. theta energy: 1.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -65.895789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.895789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.895789 (E_RNA)
where:
Base-Base interactions energy: -25.964
where: short stacking energy: -21.505
Base-Backbone interact. energy: 0.953
local terms energy: -40.884799
where:
bonds (distance) C4'-P energy: -12.809
bonds (distance) P-C4' energy: -12.103
flat angles C4'-P-C4' energy: -9.249
flat angles P-C4'-P energy: -5.715
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: 10
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -62.614085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.614085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.614085 (E_RNA)
where:
Base-Base interactions energy: -19.282
where: short stacking energy: -15.873
Base-Backbone interact. energy: -0.176
local terms energy: -43.155795
where:
bonds (distance) C4'-P energy: -9.661
bonds (distance) P-C4' energy: -10.520
flat angles C4'-P-C4' energy: -13.155
flat angles P-C4'-P energy: -6.267
tors. eta vs tors. theta energy: -3.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -180.120554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.120554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.120554 (E_RNA)
where:
Base-Base interactions energy: -122.011
where: short stacking energy: -47.045
Base-Backbone interact. energy: -0.006
local terms energy: -58.103363
where:
bonds (distance) C4'-P energy: -10.924
bonds (distance) P-C4' energy: -10.449
flat angles C4'-P-C4' energy: -11.905
flat angles P-C4'-P energy: -7.436
tors. eta vs tors. theta energy: -17.390
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: 2, replica: 3
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -180.714224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.714224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.714224 (E_RNA)
where:
Base-Base interactions energy: -120.412
where: short stacking energy: -42.757
Base-Backbone interact. energy: -0.005
local terms energy: -60.296710
where:
bonds (distance) C4'-P energy: -12.556
bonds (distance) P-C4' energy: -11.384
flat angles C4'-P-C4' energy: -11.800
flat angles P-C4'-P energy: -7.041
tors. eta vs tors. theta energy: -17.516
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: 3, replica: 7
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -176.082613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.082613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.082613 (E_RNA)
where:
Base-Base interactions energy: -111.796
where: short stacking energy: -39.253
Base-Backbone interact. energy: 0.972
local terms energy: -65.257935
where:
bonds (distance) C4'-P energy: -14.555
bonds (distance) P-C4' energy: -12.862
flat angles C4'-P-C4' energy: -13.096
flat angles P-C4'-P energy: -8.463
tors. eta vs tors. theta energy: -16.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -107.473466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.473466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.473466 (E_RNA)
where:
Base-Base interactions energy: -57.943
where: short stacking energy: -29.888
Base-Backbone interact. energy: -0.218
local terms energy: -49.312454
where:
bonds (distance) C4'-P energy: -5.488
bonds (distance) P-C4' energy: -10.968
flat angles C4'-P-C4' energy: -10.729
flat angles P-C4'-P energy: -9.611
tors. eta vs tors. theta energy: -12.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -70.432836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.432836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.432836 (E_RNA)
where:
Base-Base interactions energy: -26.779
where: short stacking energy: -20.184
Base-Backbone interact. energy: -0.192
local terms energy: -43.462011
where:
bonds (distance) C4'-P energy: -8.406
bonds (distance) P-C4' energy: -11.567
flat angles C4'-P-C4' energy: -11.228
flat angles P-C4'-P energy: -8.181
tors. eta vs tors. theta energy: -4.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -69.215861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.215861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.215861 (E_RNA)
where:
Base-Base interactions energy: -25.952
where: short stacking energy: -10.779
Base-Backbone interact. energy: -1.310
local terms energy: -41.954344
where:
bonds (distance) C4'-P energy: -11.198
bonds (distance) P-C4' energy: -12.228
flat angles C4'-P-C4' energy: -8.347
flat angles P-C4'-P energy: -9.611
tors. eta vs tors. theta energy: -0.571
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: 4
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -70.181815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.181815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.181815 (E_RNA)
where:
Base-Base interactions energy: -29.303
where: short stacking energy: -12.142
Base-Backbone interact. energy: -0.166
local terms energy: -40.712425
where:
bonds (distance) C4'-P energy: -11.181
bonds (distance) P-C4' energy: -10.101
flat angles C4'-P-C4' energy: -12.432
flat angles P-C4'-P energy: -7.006
tors. eta vs tors. theta energy: 0.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -56.374147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.374147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.374147 (E_RNA)
where:
Base-Base interactions energy: -19.577
where: short stacking energy: -11.736
Base-Backbone interact. energy: 0.504
local terms energy: -37.301000
where:
bonds (distance) C4'-P energy: -9.405
bonds (distance) P-C4' energy: -10.712
flat angles C4'-P-C4' energy: -11.839
flat angles P-C4'-P energy: -5.376
tors. eta vs tors. theta energy: 0.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -56.935681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.935681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.935681 (E_RNA)
where:
Base-Base interactions energy: -22.996
where: short stacking energy: -7.545
Base-Backbone interact. energy: 0.795
local terms energy: -34.735035
where:
bonds (distance) C4'-P energy: -8.188
bonds (distance) P-C4' energy: -13.484
flat angles C4'-P-C4' energy: -13.187
flat angles P-C4'-P energy: -3.957
tors. eta vs tors. theta energy: 4.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -59.527263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.527263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.527263 (E_RNA)
where:
Base-Base interactions energy: -20.349
where: short stacking energy: -9.185
Base-Backbone interact. energy: -0.165
local terms energy: -39.013323
where:
bonds (distance) C4'-P energy: -10.619
bonds (distance) P-C4' energy: -11.687
flat angles C4'-P-C4' energy: -5.326
flat angles P-C4'-P energy: -9.727
tors. eta vs tors. theta energy: -1.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -179.186721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.186721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.186721 (E_RNA)
where:
Base-Base interactions energy: -116.275
where: short stacking energy: -45.767
Base-Backbone interact. energy: -0.029
local terms energy: -62.883133
where:
bonds (distance) C4'-P energy: -7.376
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -14.770
flat angles P-C4'-P energy: -10.287
tors. eta vs tors. theta energy: -17.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -177.320542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.320542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.320542 (E_RNA)
where:
Base-Base interactions energy: -113.167
where: short stacking energy: -42.002
Base-Backbone interact. energy: -0.008
local terms energy: -64.145507
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -10.681
flat angles C4'-P-C4' energy: -13.094
flat angles P-C4'-P energy: -9.784
tors. eta vs tors. theta energy: -16.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -173.282910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.282910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.282910 (E_RNA)
where:
Base-Base interactions energy: -117.857
where: short stacking energy: -46.016
Base-Backbone interact. energy: -0.030
local terms energy: -55.396304
where:
bonds (distance) C4'-P energy: -12.754
bonds (distance) P-C4' energy: -10.886
flat angles C4'-P-C4' energy: -12.846
flat angles P-C4'-P energy: -3.130
tors. eta vs tors. theta energy: -15.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -113.502828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.502828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.502828 (E_RNA)
where:
Base-Base interactions energy: -68.756
where: short stacking energy: -21.424
Base-Backbone interact. energy: 0.254
local terms energy: -45.001040
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -12.913
flat angles C4'-P-C4' energy: -8.024
flat angles P-C4'-P energy: -6.860
tors. eta vs tors. theta energy: -2.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -91.627506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.627506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.627506 (E_RNA)
where:
Base-Base interactions energy: -51.004
where: short stacking energy: -10.383
Base-Backbone interact. energy: -0.010
local terms energy: -40.613192
where:
bonds (distance) C4'-P energy: -10.329
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -9.668
flat angles P-C4'-P energy: -3.775
tors. eta vs tors. theta energy: -4.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -71.596960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.596960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.596960 (E_RNA)
where:
Base-Base interactions energy: -25.650
where: short stacking energy: -16.701
Base-Backbone interact. energy: -0.086
local terms energy: -45.861265
where:
bonds (distance) C4'-P energy: -10.105
bonds (distance) P-C4' energy: -11.531
flat angles C4'-P-C4' energy: -10.348
flat angles P-C4'-P energy: -9.460
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: 7, replica: 4
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -66.403406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.403406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.403406 (E_RNA)
where:
Base-Base interactions energy: -21.316
where: short stacking energy: -13.706
Base-Backbone interact. energy: -0.205
local terms energy: -44.882870
where:
bonds (distance) C4'-P energy: -11.586
bonds (distance) P-C4' energy: -11.936
flat angles C4'-P-C4' energy: -10.668
flat angles P-C4'-P energy: -7.004
tors. eta vs tors. theta energy: -3.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -72.746514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.746514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.746514 (E_RNA)
where:
Base-Base interactions energy: -30.571
where: short stacking energy: -24.909
Base-Backbone interact. energy: -0.462
local terms energy: -41.713235
where:
bonds (distance) C4'-P energy: -11.024
bonds (distance) P-C4' energy: -11.227
flat angles C4'-P-C4' energy: -11.063
flat angles P-C4'-P energy: -3.219
tors. eta vs tors. theta energy: -5.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -55.697631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.697631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.697631 (E_RNA)
where:
Base-Base interactions energy: -25.075
where: short stacking energy: -11.550
Base-Backbone interact. energy: -0.293
local terms energy: -30.329151
where:
bonds (distance) C4'-P energy: -12.944
bonds (distance) P-C4' energy: -13.469
flat angles C4'-P-C4' energy: -4.001
flat angles P-C4'-P energy: -4.632
tors. eta vs tors. theta energy: 4.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -69.742494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.742494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.742494 (E_RNA)
where:
Base-Base interactions energy: -31.791
where: short stacking energy: -19.272
Base-Backbone interact. energy: -0.094
local terms energy: -37.857442
where:
bonds (distance) C4'-P energy: -7.621
bonds (distance) P-C4' energy: -12.205
flat angles C4'-P-C4' energy: -9.336
flat angles P-C4'-P energy: -3.938
tors. eta vs tors. theta energy: -4.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -181.846476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.846476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.846476 (E_RNA)
where:
Base-Base interactions energy: -119.458
where: short stacking energy: -48.201
Base-Backbone interact. energy: -0.166
local terms energy: -62.222358
where:
bonds (distance) C4'-P energy: -13.113
bonds (distance) P-C4' energy: -9.223
flat angles C4'-P-C4' energy: -12.409
flat angles P-C4'-P energy: -10.022
tors. eta vs tors. theta energy: -17.455
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: 2, replica: 6
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -178.934598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.934598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.934598 (E_RNA)
where:
Base-Base interactions energy: -119.210
where: short stacking energy: -48.623
Base-Backbone interact. energy: -0.181
local terms energy: -59.543512
where:
bonds (distance) C4'-P energy: -10.540
bonds (distance) P-C4' energy: -12.070
flat angles C4'-P-C4' energy: -11.391
flat angles P-C4'-P energy: -9.677
tors. eta vs tors. theta energy: -15.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -171.931668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.931668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.931668 (E_RNA)
where:
Base-Base interactions energy: -107.855
where: short stacking energy: -44.318
Base-Backbone interact. energy: -0.001
local terms energy: -64.075100
where:
bonds (distance) C4'-P energy: -13.143
bonds (distance) P-C4' energy: -13.457
flat angles C4'-P-C4' energy: -13.408
flat angles P-C4'-P energy: -9.562
tors. eta vs tors. theta energy: -14.505
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: 8
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -82.923149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.923149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.923149 (E_RNA)
where:
Base-Base interactions energy: -33.928
where: short stacking energy: -10.895
Base-Backbone interact. energy: -0.109
local terms energy: -48.885653
where:
bonds (distance) C4'-P energy: -13.152
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -8.672
flat angles P-C4'-P energy: -8.113
tors. eta vs tors. theta energy: -5.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -135.113997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.113997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.113997 (E_RNA)
where:
Base-Base interactions energy: -74.725
where: short stacking energy: -25.979
Base-Backbone interact. energy: -0.004
local terms energy: -60.385251
where:
bonds (distance) C4'-P energy: -13.176
bonds (distance) P-C4' energy: -13.466
flat angles C4'-P-C4' energy: -11.762
flat angles P-C4'-P energy: -9.323
tors. eta vs tors. theta energy: -12.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -75.555399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.555399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.555399 (E_RNA)
where:
Base-Base interactions energy: -30.081
where: short stacking energy: -21.819
Base-Backbone interact. energy: 0.223
local terms energy: -45.697262
where:
bonds (distance) C4'-P energy: -11.993
bonds (distance) P-C4' energy: -13.723
flat angles C4'-P-C4' energy: -9.124
flat angles P-C4'-P energy: -9.414
tors. eta vs tors. theta energy: -1.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -76.811260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.811260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.811260 (E_RNA)
where:
Base-Base interactions energy: -35.980
where: short stacking energy: -24.539
Base-Backbone interact. energy: -0.085
local terms energy: -40.746013
where:
bonds (distance) C4'-P energy: -8.639
bonds (distance) P-C4' energy: -9.905
flat angles C4'-P-C4' energy: -10.773
flat angles P-C4'-P energy: -3.900
tors. eta vs tors. theta energy: -7.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -61.605807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.605807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.605807 (E_RNA)
where:
Base-Base interactions energy: -28.977
where: short stacking energy: -9.604
Base-Backbone interact. energy: -0.121
local terms energy: -32.507922
where:
bonds (distance) C4'-P energy: -10.530
bonds (distance) P-C4' energy: -11.503
flat angles C4'-P-C4' energy: -10.536
flat angles P-C4'-P energy: -5.731
tors. eta vs tors. theta energy: 5.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -61.874329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.874329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.874329 (E_RNA)
where:
Base-Base interactions energy: -20.202
where: short stacking energy: -17.106
Base-Backbone interact. energy: -0.604
local terms energy: -41.068148
where:
bonds (distance) C4'-P energy: -13.016
bonds (distance) P-C4' energy: -12.610
flat angles C4'-P-C4' energy: -6.260
flat angles P-C4'-P energy: -9.621
tors. eta vs tors. theta energy: 0.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -59.243120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.243120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.243120 (E_RNA)
where:
Base-Base interactions energy: -21.247
where: short stacking energy: -8.376
Base-Backbone interact. energy: -0.090
local terms energy: -37.905442
where:
bonds (distance) C4'-P energy: -9.698
bonds (distance) P-C4' energy: -12.199
flat angles C4'-P-C4' energy: -10.469
flat angles P-C4'-P energy: -5.841
tors. eta vs tors. theta energy: 0.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -182.625955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.625955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.625955 (E_RNA)
where:
Base-Base interactions energy: -117.308
where: short stacking energy: -51.631
Base-Backbone interact. energy: -0.017
local terms energy: -65.300857
where:
bonds (distance) C4'-P energy: -12.816
bonds (distance) P-C4' energy: -13.253
flat angles C4'-P-C4' energy: -13.133
flat angles P-C4'-P energy: -8.114
tors. eta vs tors. theta energy: -17.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -177.310767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.310767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.310767 (E_RNA)
where:
Base-Base interactions energy: -115.067
where: short stacking energy: -45.164
Base-Backbone interact. energy: -0.001
local terms energy: -62.243161
where:
bonds (distance) C4'-P energy: -11.988
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -11.612
flat angles P-C4'-P energy: -8.576
tors. eta vs tors. theta energy: -15.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -175.951623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.951623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.951623 (E_RNA)
where:
Base-Base interactions energy: -111.830
where: short stacking energy: -46.821
Base-Backbone interact. energy: -0.004
local terms energy: -64.117336
where:
bonds (distance) C4'-P energy: -13.524
bonds (distance) P-C4' energy: -12.233
flat angles C4'-P-C4' energy: -13.137
flat angles P-C4'-P energy: -8.576
tors. eta vs tors. theta energy: -16.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -80.708601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.708601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.708601 (E_RNA)
where:
Base-Base interactions energy: -38.428
where: short stacking energy: -28.145
Base-Backbone interact. energy: -0.002
local terms energy: -42.278599
where:
bonds (distance) C4'-P energy: -12.324
bonds (distance) P-C4' energy: -11.586
flat angles C4'-P-C4' energy: -10.695
flat angles P-C4'-P energy: -5.300
tors. eta vs tors. theta energy: -2.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -143.063126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.063126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.063126 (E_RNA)
where:
Base-Base interactions energy: -95.384
where: short stacking energy: -33.851
Base-Backbone interact. energy: 0.384
local terms energy: -48.063155
where:
bonds (distance) C4'-P energy: -13.135
bonds (distance) P-C4' energy: -10.216
flat angles C4'-P-C4' energy: -8.172
flat angles P-C4'-P energy: -7.720
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: 4
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -120.398364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.398364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.398364 (E_RNA)
where:
Base-Base interactions energy: -72.812
where: short stacking energy: -30.378
Base-Backbone interact. energy: -0.169
local terms energy: -47.417743
where:
bonds (distance) C4'-P energy: -11.971
bonds (distance) P-C4' energy: -13.343
flat angles C4'-P-C4' energy: -5.680
flat angles P-C4'-P energy: -9.453
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: 7, replica: 2
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -71.251597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.251597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.251597 (E_RNA)
where:
Base-Base interactions energy: -25.341
where: short stacking energy: -10.912
Base-Backbone interact. energy: -0.039
local terms energy: -45.872534
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -11.880
flat angles C4'-P-C4' energy: -12.662
flat angles P-C4'-P energy: -6.110
tors. eta vs tors. theta energy: -1.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -65.970100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.970100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.970100 (E_RNA)
where:
Base-Base interactions energy: -28.513
where: short stacking energy: -16.775
Base-Backbone interact. energy: -0.057
local terms energy: -37.399976
where:
bonds (distance) C4'-P energy: -10.109
bonds (distance) P-C4' energy: -13.725
flat angles C4'-P-C4' energy: -9.202
flat angles P-C4'-P energy: -5.267
tors. eta vs tors. theta energy: 0.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -61.604741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.604741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.604741 (E_RNA)
where:
Base-Base interactions energy: -16.405
where: short stacking energy: -15.840
Base-Backbone interact. energy: -0.029
local terms energy: -45.170595
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -14.020
flat angles C4'-P-C4' energy: -11.775
flat angles P-C4'-P energy: -6.675
tors. eta vs tors. theta energy: 0.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -56.876118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.876118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.876118 (E_RNA)
where:
Base-Base interactions energy: -15.479
where: short stacking energy: -9.191
Base-Backbone interact. energy: -0.308
local terms energy: -41.088972
where:
bonds (distance) C4'-P energy: -14.998
bonds (distance) P-C4' energy: -13.870
flat angles C4'-P-C4' energy: -9.892
flat angles P-C4'-P energy: -4.214
tors. eta vs tors. theta energy: 1.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -182.193469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.193469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.193469 (E_RNA)
where:
Base-Base interactions energy: -120.717
where: short stacking energy: -52.281
Base-Backbone interact. energy: -0.043
local terms energy: -61.433688
where:
bonds (distance) C4'-P energy: -13.189
bonds (distance) P-C4' energy: -10.968
flat angles C4'-P-C4' energy: -14.330
flat angles P-C4'-P energy: -5.624
tors. eta vs tors. theta energy: -17.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -172.941377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.941377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.941377 (E_RNA)
where:
Base-Base interactions energy: -110.864
where: short stacking energy: -50.235
Base-Backbone interact. energy: -0.253
local terms energy: -61.824379
where:
bonds (distance) C4'-P energy: -12.014
bonds (distance) P-C4' energy: -12.596
flat angles C4'-P-C4' energy: -12.948
flat angles P-C4'-P energy: -8.640
tors. eta vs tors. theta energy: -15.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -176.881180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.881180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.881180 (E_RNA)
where:
Base-Base interactions energy: -114.019
where: short stacking energy: -49.541
Base-Backbone interact. energy: -0.031
local terms energy: -62.830404
where:
bonds (distance) C4'-P energy: -10.406
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -11.953
flat angles P-C4'-P energy: -9.538
tors. eta vs tors. theta energy: -16.308
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: 1
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -123.392254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.392254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.392254 (E_RNA)
where:
Base-Base interactions energy: -69.668
where: short stacking energy: -25.705
Base-Backbone interact. energy: -1.407
local terms energy: -52.317252
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -14.769
flat angles C4'-P-C4' energy: -9.665
flat angles P-C4'-P energy: -6.576
tors. eta vs tors. theta energy: -7.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -72.001164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.001164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.001164 (E_RNA)
where:
Base-Base interactions energy: -23.413
where: short stacking energy: -22.164
Base-Backbone interact. energy: -1.202
local terms energy: -47.386014
where:
bonds (distance) C4'-P energy: -9.955
bonds (distance) P-C4' energy: -12.100
flat angles C4'-P-C4' energy: -7.113
flat angles P-C4'-P energy: -8.803
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: 6, replica: 4
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -124.918332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.918332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.918332 (E_RNA)
where:
Base-Base interactions energy: -73.098
where: short stacking energy: -31.467
Base-Backbone interact. energy: -0.099
local terms energy: -51.721302
where:
bonds (distance) C4'-P energy: -10.742
bonds (distance) P-C4' energy: -11.021
flat angles C4'-P-C4' energy: -12.884
flat angles P-C4'-P energy: -6.639
tors. eta vs tors. theta energy: -10.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -67.372344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.372344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.372344 (E_RNA)
where:
Base-Base interactions energy: -21.237
where: short stacking energy: -16.965
Base-Backbone interact. energy: -0.178
local terms energy: -45.957049
where:
bonds (distance) C4'-P energy: -13.532
bonds (distance) P-C4' energy: -11.257
flat angles C4'-P-C4' energy: -11.934
flat angles P-C4'-P energy: -6.084
tors. eta vs tors. theta energy: -3.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -68.142340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.142340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.142340 (E_RNA)
where:
Base-Base interactions energy: -23.624
where: short stacking energy: -12.382
Base-Backbone interact. energy: -0.176
local terms energy: -44.341491
where:
bonds (distance) C4'-P energy: -13.744
bonds (distance) P-C4' energy: -10.812
flat angles C4'-P-C4' energy: -8.116
flat angles P-C4'-P energy: -8.028
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: 9, replica: 5
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -58.844646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.844646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.844646 (E_RNA)
where:
Base-Base interactions energy: -16.072
where: short stacking energy: -11.968
Base-Backbone interact. energy: -0.032
local terms energy: -42.740603
where:
bonds (distance) C4'-P energy: -11.569
bonds (distance) P-C4' energy: -14.196
flat angles C4'-P-C4' energy: -5.668
flat angles P-C4'-P energy: -8.397
tors. eta vs tors. theta energy: -2.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -58.614916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.614916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.614916 (E_RNA)
where:
Base-Base interactions energy: -14.206
where: short stacking energy: -14.206
Base-Backbone interact. energy: -0.059
local terms energy: -44.350207
where:
bonds (distance) C4'-P energy: -9.467
bonds (distance) P-C4' energy: -13.888
flat angles C4'-P-C4' energy: -13.213
flat angles P-C4'-P energy: -8.331
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: 6
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -180.297444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.297444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.297444 (E_RNA)
where:
Base-Base interactions energy: -117.151
where: short stacking energy: -46.693
Base-Backbone interact. energy: -0.004
local terms energy: -63.142208
where:
bonds (distance) C4'-P energy: -12.440
bonds (distance) P-C4' energy: -12.754
flat angles C4'-P-C4' energy: -14.038
flat angles P-C4'-P energy: -8.724
tors. eta vs tors. theta energy: -15.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -181.910932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.910932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.910932 (E_RNA)
where:
Base-Base interactions energy: -118.418
where: short stacking energy: -40.791
Base-Backbone interact. energy: -0.035
local terms energy: -63.457497
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -12.405
flat angles C4'-P-C4' energy: -12.955
flat angles P-C4'-P energy: -8.582
tors. eta vs tors. theta energy: -15.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -170.895395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.895395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.895395 (E_RNA)
where:
Base-Base interactions energy: -111.883
where: short stacking energy: -46.735
Base-Backbone interact. energy: -0.689
local terms energy: -58.323439
where:
bonds (distance) C4'-P energy: -13.119
bonds (distance) P-C4' energy: -12.073
flat angles C4'-P-C4' energy: -10.261
flat angles P-C4'-P energy: -5.815
tors. eta vs tors. theta energy: -17.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -129.542685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.542685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.542685 (E_RNA)
where:
Base-Base interactions energy: -82.697
where: short stacking energy: -18.327
Base-Backbone interact. energy: -0.781
local terms energy: -46.064633
where:
bonds (distance) C4'-P energy: -10.452
bonds (distance) P-C4' energy: -13.146
flat angles C4'-P-C4' energy: -11.840
flat angles P-C4'-P energy: -8.955
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: 5, replica: 4
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -110.484198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.484198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.484198 (E_RNA)
where:
Base-Base interactions energy: -62.724
where: short stacking energy: -34.135
Base-Backbone interact. energy: -0.359
local terms energy: -47.401158
where:
bonds (distance) C4'-P energy: -10.266
bonds (distance) P-C4' energy: -13.377
flat angles C4'-P-C4' energy: -11.116
flat angles P-C4'-P energy: -6.950
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: 6, replica: 8
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -80.728470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.728470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.728470 (E_RNA)
where:
Base-Base interactions energy: -34.657
where: short stacking energy: -26.121
Base-Backbone interact. energy: -0.002
local terms energy: -46.069763
where:
bonds (distance) C4'-P energy: -8.797
bonds (distance) P-C4' energy: -12.855
flat angles C4'-P-C4' energy: -13.125
flat angles P-C4'-P energy: -3.454
tors. eta vs tors. theta energy: -7.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -70.622029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.622029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.622029 (E_RNA)
where:
Base-Base interactions energy: -32.189
where: short stacking energy: -14.670
Base-Backbone interact. energy: 0.060
local terms energy: -38.492672
where:
bonds (distance) C4'-P energy: -11.043
bonds (distance) P-C4' energy: -11.484
flat angles C4'-P-C4' energy: -13.497
flat angles P-C4'-P energy: -4.118
tors. eta vs tors. theta energy: 1.649
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: 2
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -70.082891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.082891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.082891 (E_RNA)
where:
Base-Base interactions energy: -23.526
where: short stacking energy: -23.526
Base-Backbone interact. energy: 0.252
local terms energy: -46.808892
where:
bonds (distance) C4'-P energy: -10.791
bonds (distance) P-C4' energy: -8.183
flat angles C4'-P-C4' energy: -11.660
flat angles P-C4'-P energy: -7.554
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: 9, replica: 10
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -71.699064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.699064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.699064 (E_RNA)
where:
Base-Base interactions energy: -32.335
where: short stacking energy: -18.946
Base-Backbone interact. energy: -0.053
local terms energy: -39.311337
where:
bonds (distance) C4'-P energy: -7.180
bonds (distance) P-C4' energy: -8.647
flat angles C4'-P-C4' energy: -13.911
flat angles P-C4'-P energy: -5.066
tors. eta vs tors. theta energy: -4.507
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: 5
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -60.053510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.053510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.053510 (E_RNA)
where:
Base-Base interactions energy: -26.124
where: short stacking energy: -5.511
Base-Backbone interact. energy: -0.206
local terms energy: -33.722842
where:
bonds (distance) C4'-P energy: -11.640
bonds (distance) P-C4' energy: -12.009
flat angles C4'-P-C4' energy: -8.763
flat angles P-C4'-P energy: -8.780
tors. eta vs tors. theta energy: 7.469
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: 1, replica: 6
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -179.327369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.327369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.327369 (E_RNA)
where:
Base-Base interactions energy: -120.606
where: short stacking energy: -39.721
Base-Backbone interact. energy: -0.082
local terms energy: -58.639295
where:
bonds (distance) C4'-P energy: -12.440
bonds (distance) P-C4' energy: -10.886
flat angles C4'-P-C4' energy: -12.340
flat angles P-C4'-P energy: -9.126
tors. eta vs tors. theta energy: -13.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -172.936425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.936425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.936425 (E_RNA)
where:
Base-Base interactions energy: -112.903
where: short stacking energy: -48.576
Base-Backbone interact. energy: -0.001
local terms energy: -60.033085
where:
bonds (distance) C4'-P energy: -10.771
bonds (distance) P-C4' energy: -11.722
flat angles C4'-P-C4' energy: -12.939
flat angles P-C4'-P energy: -10.031
tors. eta vs tors. theta energy: -14.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -172.176897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.176897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.176897 (E_RNA)
where:
Base-Base interactions energy: -119.423
where: short stacking energy: -43.674
Base-Backbone interact. energy: -0.228
local terms energy: -52.525361
where:
bonds (distance) C4'-P energy: -10.391
bonds (distance) P-C4' energy: -10.865
flat angles C4'-P-C4' energy: -13.822
flat angles P-C4'-P energy: -5.613
tors. eta vs tors. theta energy: -11.835
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: 1
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -132.131872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.131872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.131872 (E_RNA)
where:
Base-Base interactions energy: -87.756
where: short stacking energy: -24.107
Base-Backbone interact. energy: -1.100
local terms energy: -43.275690
where:
bonds (distance) C4'-P energy: -11.884
bonds (distance) P-C4' energy: -9.586
flat angles C4'-P-C4' energy: -11.197
flat angles P-C4'-P energy: -3.299
tors. eta vs tors. theta energy: -7.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -72.895481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.895481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.895481 (E_RNA)
where:
Base-Base interactions energy: -39.221
where: short stacking energy: -11.685
Base-Backbone interact. energy: -0.469
local terms energy: -33.205657
where:
bonds (distance) C4'-P energy: -11.669
bonds (distance) P-C4' energy: -11.212
flat angles C4'-P-C4' energy: -8.625
flat angles P-C4'-P energy: -4.298
tors. eta vs tors. theta energy: 2.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -63.223396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.223396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.223396 (E_RNA)
where:
Base-Base interactions energy: -23.382
where: short stacking energy: -15.849
Base-Backbone interact. energy: -0.185
local terms energy: -39.656687
where:
bonds (distance) C4'-P energy: -6.867
bonds (distance) P-C4' energy: -12.610
flat angles C4'-P-C4' energy: -11.471
flat angles P-C4'-P energy: -10.629
tors. eta vs tors. theta energy: 1.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -69.006622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.006622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.006622 (E_RNA)
where:
Base-Base interactions energy: -21.912
where: short stacking energy: -16.528
Base-Backbone interact. energy: 0.376
local terms energy: -47.470439
where:
bonds (distance) C4'-P energy: -12.109
bonds (distance) P-C4' energy: -8.349
flat angles C4'-P-C4' energy: -15.655
flat angles P-C4'-P energy: -6.964
tors. eta vs tors. theta energy: -4.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -72.982629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.982629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.982629 (E_RNA)
where:
Base-Base interactions energy: -25.708
where: short stacking energy: -20.102
Base-Backbone interact. energy: -0.002
local terms energy: -47.272333
where:
bonds (distance) C4'-P energy: -11.566
bonds (distance) P-C4' energy: -10.634
flat angles C4'-P-C4' energy: -11.731
flat angles P-C4'-P energy: -5.240
tors. eta vs tors. theta energy: -8.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -62.191460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.191460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.191460 (E_RNA)
where:
Base-Base interactions energy: -18.047
where: short stacking energy: -12.330
Base-Backbone interact. energy: -0.032
local terms energy: -44.112311
where:
bonds (distance) C4'-P energy: -13.098
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -9.440
flat angles P-C4'-P energy: -9.197
tors. eta vs tors. theta energy: 2.251
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: 5
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -69.872246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.872246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.872246 (E_RNA)
where:
Base-Base interactions energy: -22.666
where: short stacking energy: -21.979
Base-Backbone interact. energy: -0.008
local terms energy: -47.198118
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -10.474
flat angles C4'-P-C4' energy: -10.817
flat angles P-C4'-P energy: -9.657
tors. eta vs tors. theta energy: -3.600
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: 6
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -178.702382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.702382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.702382 (E_RNA)
where:
Base-Base interactions energy: -120.996
where: short stacking energy: -48.581
Base-Backbone interact. energy: -0.098
local terms energy: -57.608126
where:
bonds (distance) C4'-P energy: -10.818
bonds (distance) P-C4' energy: -10.545
flat angles C4'-P-C4' energy: -12.605
flat angles P-C4'-P energy: -6.358
tors. eta vs tors. theta energy: -17.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -174.598166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.598166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.598166 (E_RNA)
where:
Base-Base interactions energy: -115.774
where: short stacking energy: -46.519
Base-Backbone interact. energy: -0.038
local terms energy: -58.786941
where:
bonds (distance) C4'-P energy: -11.346
bonds (distance) P-C4' energy: -8.232
flat angles C4'-P-C4' energy: -14.498
flat angles P-C4'-P energy: -8.766
tors. eta vs tors. theta energy: -15.945
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: 316
Temperature: 1.000000
Total energy: -177.312498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.312498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.312498 (E_RNA)
where:
Base-Base interactions energy: -117.803
where: short stacking energy: -48.058
Base-Backbone interact. energy: -0.032
local terms energy: -59.477429
where:
bonds (distance) C4'-P energy: -8.809
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -11.315
flat angles P-C4'-P energy: -9.058
tors. eta vs tors. theta energy: -15.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -156.595315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.595315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.595315 (E_RNA)
where:
Base-Base interactions energy: -105.097
where: short stacking energy: -36.511
Base-Backbone interact. energy: -0.656
local terms energy: -50.842196
where:
bonds (distance) C4'-P energy: -8.915
bonds (distance) P-C4' energy: -12.034
flat angles C4'-P-C4' energy: -9.969
flat angles P-C4'-P energy: -7.519
tors. eta vs tors. theta energy: -12.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -82.657608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.657608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.657608 (E_RNA)
where:
Base-Base interactions energy: -32.295
where: short stacking energy: -22.297
Base-Backbone interact. energy: -0.029
local terms energy: -50.333439
where:
bonds (distance) C4'-P energy: -12.212
bonds (distance) P-C4' energy: -14.389
flat angles C4'-P-C4' energy: -12.275
flat angles P-C4'-P energy: -8.001
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: 6, replica: 4
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -74.599864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.599864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.599864 (E_RNA)
where:
Base-Base interactions energy: -35.801
where: short stacking energy: -21.199
Base-Backbone interact. energy: -0.019
local terms energy: -38.778990
where:
bonds (distance) C4'-P energy: -8.846
bonds (distance) P-C4' energy: -12.882
flat angles C4'-P-C4' energy: -9.666
flat angles P-C4'-P energy: -8.167
tors. eta vs tors. theta energy: 0.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -73.010512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.010512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.010512 (E_RNA)
where:
Base-Base interactions energy: -27.904
where: short stacking energy: -23.639
Base-Backbone interact. energy: 0.661
local terms energy: -45.767656
where:
bonds (distance) C4'-P energy: -8.949
bonds (distance) P-C4' energy: -11.267
flat angles C4'-P-C4' energy: -9.987
flat angles P-C4'-P energy: -8.720
tors. eta vs tors. theta energy: -6.844
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: 8, replica: 8
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -67.097924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.097924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.097924 (E_RNA)
where:
Base-Base interactions energy: -29.438
where: short stacking energy: -13.177
Base-Backbone interact. energy: -0.095
local terms energy: -37.564833
where:
bonds (distance) C4'-P energy: -12.961
bonds (distance) P-C4' energy: -10.334
flat angles C4'-P-C4' energy: -6.260
flat angles P-C4'-P energy: -5.189
tors. eta vs tors. theta energy: -2.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -71.939903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.939903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.939903 (E_RNA)
where:
Base-Base interactions energy: -29.288
where: short stacking energy: -28.531
Base-Backbone interact. energy: -0.219
local terms energy: -42.432382
where:
bonds (distance) C4'-P energy: -13.425
bonds (distance) P-C4' energy: -11.951
flat angles C4'-P-C4' energy: -7.870
flat angles P-C4'-P energy: -5.687
tors. eta vs tors. theta energy: -3.499
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: 5
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -63.303330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.303330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.303330 (E_RNA)
where:
Base-Base interactions energy: -18.469
where: short stacking energy: -18.212
Base-Backbone interact. energy: -0.008
local terms energy: -44.826522
where:
bonds (distance) C4'-P energy: -11.554
bonds (distance) P-C4' energy: -10.886
flat angles C4'-P-C4' energy: -11.213
flat angles P-C4'-P energy: -6.856
tors. eta vs tors. theta energy: -4.317
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: 6
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -185.578257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.578257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.578257 (E_RNA)
where:
Base-Base interactions energy: -120.245
where: short stacking energy: -51.691
Base-Backbone interact. energy: -0.115
local terms energy: -65.218165
where:
bonds (distance) C4'-P energy: -13.984
bonds (distance) P-C4' energy: -10.546
flat angles C4'-P-C4' energy: -11.830
flat angles P-C4'-P energy: -11.234
tors. eta vs tors. theta energy: -17.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -180.824946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.824946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.824946 (E_RNA)
where:
Base-Base interactions energy: -116.593
where: short stacking energy: -49.103
Base-Backbone interact. energy: -0.005
local terms energy: -64.226675
where:
bonds (distance) C4'-P energy: -12.126
bonds (distance) P-C4' energy: -12.817
flat angles C4'-P-C4' energy: -14.053
flat angles P-C4'-P energy: -6.453
tors. eta vs tors. theta energy: -18.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -175.558589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.558589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.558589 (E_RNA)
where:
Base-Base interactions energy: -118.584
where: short stacking energy: -49.538
Base-Backbone interact. energy: 1.219
local terms energy: -58.194243
where:
bonds (distance) C4'-P energy: -8.848
bonds (distance) P-C4' energy: -12.500
flat angles C4'-P-C4' energy: -13.265
flat angles P-C4'-P energy: -8.676
tors. eta vs tors. theta energy: -14.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -164.227640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.227640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.227640 (E_RNA)
where:
Base-Base interactions energy: -107.048
where: short stacking energy: -43.800
Base-Backbone interact. energy: -0.831
local terms energy: -56.348269
where:
bonds (distance) C4'-P energy: -12.113
bonds (distance) P-C4' energy: -12.329
flat angles C4'-P-C4' energy: -13.234
flat angles P-C4'-P energy: -4.979
tors. eta vs tors. theta energy: -13.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -81.422721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.422721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.422721 (E_RNA)
where:
Base-Base interactions energy: -38.116
where: short stacking energy: -21.539
Base-Backbone interact. energy: -0.569
local terms energy: -42.737987
where:
bonds (distance) C4'-P energy: -10.865
bonds (distance) P-C4' energy: -11.998
flat angles C4'-P-C4' energy: -9.453
flat angles P-C4'-P energy: -7.849
tors. eta vs tors. theta energy: -2.573
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: 10
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -72.296135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.296135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.296135 (E_RNA)
where:
Base-Base interactions energy: -21.184
where: short stacking energy: -21.184
Base-Backbone interact. energy: -0.128
local terms energy: -50.984019
where:
bonds (distance) C4'-P energy: -12.431
bonds (distance) P-C4' energy: -15.287
flat angles C4'-P-C4' energy: -9.806
flat angles P-C4'-P energy: -8.814
tors. eta vs tors. theta energy: -4.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -81.742472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.742472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.742472 (E_RNA)
where:
Base-Base interactions energy: -29.659
where: short stacking energy: -21.490
Base-Backbone interact. energy: -0.107
local terms energy: -51.976525
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -13.399
flat angles C4'-P-C4' energy: -9.442
flat angles P-C4'-P energy: -7.202
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: 8, replica: 2
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -76.482560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.482560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.482560 (E_RNA)
where:
Base-Base interactions energy: -33.438
where: short stacking energy: -13.068
Base-Backbone interact. energy: -1.189
local terms energy: -41.854671
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -8.721
flat angles C4'-P-C4' energy: -11.730
flat angles P-C4'-P energy: -8.724
tors. eta vs tors. theta energy: 0.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -58.894818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.894818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.894818 (E_RNA)
where:
Base-Base interactions energy: -19.528
where: short stacking energy: -19.381
Base-Backbone interact. energy: 0.958
local terms energy: -40.325298
where:
bonds (distance) C4'-P energy: -12.518
bonds (distance) P-C4' energy: -12.596
flat angles C4'-P-C4' energy: -12.134
flat angles P-C4'-P energy: -1.771
tors. eta vs tors. theta energy: -1.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -66.497674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.497674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.497674 (E_RNA)
where:
Base-Base interactions energy: -29.339
where: short stacking energy: -22.593
Base-Backbone interact. energy: -0.778
local terms energy: -36.380758
where:
bonds (distance) C4'-P energy: -10.877
bonds (distance) P-C4' energy: -8.953
flat angles C4'-P-C4' energy: -5.603
flat angles P-C4'-P energy: -6.470
tors. eta vs tors. theta energy: -4.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -184.139632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.139632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.139632 (E_RNA)
where:
Base-Base interactions energy: -120.781
where: short stacking energy: -46.625
Base-Backbone interact. energy: -0.041
local terms energy: -63.317305
where:
bonds (distance) C4'-P energy: -12.162
bonds (distance) P-C4' energy: -12.613
flat angles C4'-P-C4' energy: -12.648
flat angles P-C4'-P energy: -8.583
tors. eta vs tors. theta energy: -17.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -177.155052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.155052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.155052 (E_RNA)
where:
Base-Base interactions energy: -113.203
where: short stacking energy: -41.730
Base-Backbone interact. energy: -0.003
local terms energy: -63.948687
where:
bonds (distance) C4'-P energy: -12.501
bonds (distance) P-C4' energy: -12.123
flat angles C4'-P-C4' energy: -13.098
flat angles P-C4'-P energy: -10.930
tors. eta vs tors. theta energy: -15.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -172.506815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.506815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.506815 (E_RNA)
where:
Base-Base interactions energy: -109.903
where: short stacking energy: -44.797
Base-Backbone interact. energy: 3.591
local terms energy: -66.195046
where:
bonds (distance) C4'-P energy: -12.671
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -14.483
flat angles P-C4'-P energy: -8.678
tors. eta vs tors. theta energy: -16.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -172.103481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.103481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.103481 (E_RNA)
where:
Base-Base interactions energy: -116.896
where: short stacking energy: -48.761
Base-Backbone interact. energy: -0.071
local terms energy: -55.136881
where:
bonds (distance) C4'-P energy: -9.919
bonds (distance) P-C4' energy: -11.683
flat angles C4'-P-C4' energy: -14.218
flat angles P-C4'-P energy: -2.245
tors. eta vs tors. theta energy: -17.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -66.299615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.299615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.299615 (E_RNA)
where:
Base-Base interactions energy: -22.150
where: short stacking energy: -22.150
Base-Backbone interact. energy: -0.575
local terms energy: -43.574981
where:
bonds (distance) C4'-P energy: -9.264
bonds (distance) P-C4' energy: -9.173
flat angles C4'-P-C4' energy: -12.369
flat angles P-C4'-P energy: -9.486
tors. eta vs tors. theta energy: -3.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -72.090706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.090706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.090706 (E_RNA)
where:
Base-Base interactions energy: -31.999
where: short stacking energy: -22.941
Base-Backbone interact. energy: 0.346
local terms energy: -40.438327
where:
bonds (distance) C4'-P energy: -13.400
bonds (distance) P-C4' energy: -9.992
flat angles C4'-P-C4' energy: -6.771
flat angles P-C4'-P energy: -8.101
tors. eta vs tors. theta energy: -2.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -72.141299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.141299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.141299 (E_RNA)
where:
Base-Base interactions energy: -28.307
where: short stacking energy: -17.335
Base-Backbone interact. energy: 0.392
local terms energy: -44.226843
where:
bonds (distance) C4'-P energy: -11.214
bonds (distance) P-C4' energy: -11.954
flat angles C4'-P-C4' energy: -9.653
flat angles P-C4'-P energy: -7.915
tors. eta vs tors. theta energy: -3.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -69.244585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.244585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.244585 (E_RNA)
where:
Base-Base interactions energy: -30.514
where: short stacking energy: -13.512
Base-Backbone interact. energy: -0.560
local terms energy: -38.170484
where:
bonds (distance) C4'-P energy: -11.164
bonds (distance) P-C4' energy: -12.055
flat angles C4'-P-C4' energy: -6.649
flat angles P-C4'-P energy: -3.691
tors. eta vs tors. theta energy: -4.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -84.660778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.660778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.660778 (E_RNA)
where:
Base-Base interactions energy: -52.293
where: short stacking energy: -7.632
Base-Backbone interact. energy: -0.079
local terms energy: -32.288562
where:
bonds (distance) C4'-P energy: -10.753
bonds (distance) P-C4' energy: -7.821
flat angles C4'-P-C4' energy: -8.900
flat angles P-C4'-P energy: -3.412
tors. eta vs tors. theta energy: -1.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -56.183286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.183286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.183286 (E_RNA)
where:
Base-Base interactions energy: -19.767
where: short stacking energy: -15.150
Base-Backbone interact. energy: -0.107
local terms energy: -36.308527
where:
bonds (distance) C4'-P energy: -13.504
bonds (distance) P-C4' energy: -9.079
flat angles C4'-P-C4' energy: -9.728
flat angles P-C4'-P energy: -6.840
tors. eta vs tors. theta energy: 2.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -183.790246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.790246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.790246 (E_RNA)
where:
Base-Base interactions energy: -116.453
where: short stacking energy: -49.165
Base-Backbone interact. energy: -0.002
local terms energy: -67.335723
where:
bonds (distance) C4'-P energy: -13.023
bonds (distance) P-C4' energy: -11.831
flat angles C4'-P-C4' energy: -13.711
flat angles P-C4'-P energy: -10.558
tors. eta vs tors. theta energy: -18.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -180.117143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.117143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.117143 (E_RNA)
where:
Base-Base interactions energy: -120.636
where: short stacking energy: -51.220
Base-Backbone interact. energy: -0.577
local terms energy: -58.903660
where:
bonds (distance) C4'-P energy: -9.844
bonds (distance) P-C4' energy: -13.447
flat angles C4'-P-C4' energy: -10.269
flat angles P-C4'-P energy: -8.779
tors. eta vs tors. theta energy: -16.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -158.907870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.907870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.907870 (E_RNA)
where:
Base-Base interactions energy: -104.249
where: short stacking energy: -38.578
Base-Backbone interact. energy: -0.070
local terms energy: -54.588350
where:
bonds (distance) C4'-P energy: -9.455
bonds (distance) P-C4' energy: -13.846
flat angles C4'-P-C4' energy: -10.968
flat angles P-C4'-P energy: -8.381
tors. eta vs tors. theta energy: -11.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -171.749921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.749921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.749921 (E_RNA)
where:
Base-Base interactions energy: -109.719
where: short stacking energy: -41.738
Base-Backbone interact. energy: -0.046
local terms energy: -61.985189
where:
bonds (distance) C4'-P energy: -8.374
bonds (distance) P-C4' energy: -14.407
flat angles C4'-P-C4' energy: -11.342
flat angles P-C4'-P energy: -10.488
tors. eta vs tors. theta energy: -17.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -74.484684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.484684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.484684 (E_RNA)
where:
Base-Base interactions energy: -28.883
where: short stacking energy: -14.919
Base-Backbone interact. energy: -0.061
local terms energy: -45.540849
where:
bonds (distance) C4'-P energy: -10.609
bonds (distance) P-C4' energy: -11.009
flat angles C4'-P-C4' energy: -13.037
flat angles P-C4'-P energy: -7.176
tors. eta vs tors. theta energy: -3.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -60.770773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.770773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.770773 (E_RNA)
where:
Base-Base interactions energy: -25.913
where: short stacking energy: -25.573
Base-Backbone interact. energy: -0.341
local terms energy: -34.516544
where:
bonds (distance) C4'-P energy: -12.005
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -5.759
flat angles P-C4'-P energy: -3.336
tors. eta vs tors. theta energy: 0.951
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: 2
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -78.159067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.159067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.159067 (E_RNA)
where:
Base-Base interactions energy: -28.192
where: short stacking energy: -27.959
Base-Backbone interact. energy: -0.036
local terms energy: -49.931149
where:
bonds (distance) C4'-P energy: -10.134
bonds (distance) P-C4' energy: -13.377
flat angles C4'-P-C4' energy: -10.703
flat angles P-C4'-P energy: -8.834
tors. eta vs tors. theta energy: -6.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -80.201975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.201975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.201975 (E_RNA)
where:
Base-Base interactions energy: -41.617
where: short stacking energy: -14.693
Base-Backbone interact. energy: -0.302
local terms energy: -38.283103
where:
bonds (distance) C4'-P energy: -9.279
bonds (distance) P-C4' energy: -12.178
flat angles C4'-P-C4' energy: -10.852
flat angles P-C4'-P energy: -8.179
tors. eta vs tors. theta energy: 2.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -58.723302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.723302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.723302 (E_RNA)
where:
Base-Base interactions energy: -21.793
where: short stacking energy: -9.015
Base-Backbone interact. energy: -0.247
local terms energy: -36.683603
where:
bonds (distance) C4'-P energy: -5.610
bonds (distance) P-C4' energy: -11.284
flat angles C4'-P-C4' energy: -10.845
flat angles P-C4'-P energy: -9.468
tors. eta vs tors. theta energy: 0.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -66.843483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.843483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.843483 (E_RNA)
where:
Base-Base interactions energy: -31.792
where: short stacking energy: -13.476
Base-Backbone interact. energy: -0.013
local terms energy: -35.038271
where:
bonds (distance) C4'-P energy: -11.910
bonds (distance) P-C4' energy: -10.418
flat angles C4'-P-C4' energy: -9.842
flat angles P-C4'-P energy: -6.152
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: 1
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -178.197232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.197232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.197232 (E_RNA)
where:
Base-Base interactions energy: -108.435
where: short stacking energy: -46.227
Base-Backbone interact. energy: -0.085
local terms energy: -69.677347
where:
bonds (distance) C4'-P energy: -14.029
bonds (distance) P-C4' energy: -15.563
flat angles C4'-P-C4' energy: -13.773
flat angles P-C4'-P energy: -8.988
tors. eta vs tors. theta energy: -17.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -179.587229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.587229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.587229 (E_RNA)
where:
Base-Base interactions energy: -111.759
where: short stacking energy: -44.152
Base-Backbone interact. energy: -0.005
local terms energy: -67.823139
where:
bonds (distance) C4'-P energy: -13.338
bonds (distance) P-C4' energy: -12.986
flat angles C4'-P-C4' energy: -13.737
flat angles P-C4'-P energy: -11.234
tors. eta vs tors. theta energy: -16.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -178.726567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.726567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.726567 (E_RNA)
where:
Base-Base interactions energy: -116.545
where: short stacking energy: -48.763
Base-Backbone interact. energy: -0.002
local terms energy: -62.179378
where:
bonds (distance) C4'-P energy: -8.610
bonds (distance) P-C4' energy: -12.684
flat angles C4'-P-C4' energy: -14.761
flat angles P-C4'-P energy: -7.414
tors. eta vs tors. theta energy: -18.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -164.226462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.226462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.226462 (E_RNA)
where:
Base-Base interactions energy: -104.368
where: short stacking energy: -44.088
Base-Backbone interact. energy: -0.396
local terms energy: -59.462981
where:
bonds (distance) C4'-P energy: -10.167
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -12.247
flat angles P-C4'-P energy: -6.669
tors. eta vs tors. theta energy: -15.484
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: 320
Temperature: 1.100000
Total energy: -108.127848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.127848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.127848 (E_RNA)
where:
Base-Base interactions energy: -65.248
where: short stacking energy: -23.558
Base-Backbone interact. energy: 0.985
local terms energy: -43.865025
where:
bonds (distance) C4'-P energy: -9.157
bonds (distance) P-C4' energy: -11.559
flat angles C4'-P-C4' energy: -10.588
flat angles P-C4'-P energy: -6.424
tors. eta vs tors. theta energy: -6.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -74.665217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.665217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.665217 (E_RNA)
where:
Base-Base interactions energy: -27.236
where: short stacking energy: -21.618
Base-Backbone interact. energy: -0.244
local terms energy: -47.184804
where:
bonds (distance) C4'-P energy: -10.245
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -13.342
flat angles P-C4'-P energy: -6.590
tors. eta vs tors. theta energy: -3.606
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: 5
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -101.052852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.052852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.052852 (E_RNA)
where:
Base-Base interactions energy: -61.820
where: short stacking energy: -17.240
Base-Backbone interact. energy: 0.906
local terms energy: -40.138681
where:
bonds (distance) C4'-P energy: -10.557
bonds (distance) P-C4' energy: -12.141
flat angles C4'-P-C4' energy: -8.264
flat angles P-C4'-P energy: -7.588
tors. eta vs tors. theta energy: -1.589
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: 320
Temperature: 1.250000
Total energy: -72.071983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.071983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.071983 (E_RNA)
where:
Base-Base interactions energy: -31.594
where: short stacking energy: -14.590
Base-Backbone interact. energy: -0.209
local terms energy: -40.269110
where:
bonds (distance) C4'-P energy: -10.489
bonds (distance) P-C4' energy: -10.183
flat angles C4'-P-C4' energy: -9.872
flat angles P-C4'-P energy: -4.812
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: 9, replica: 8
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -67.202814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.202814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.202814 (E_RNA)
where:
Base-Base interactions energy: -31.289
where: short stacking energy: -16.483
Base-Backbone interact. energy: -2.260
local terms energy: -33.653324
where:
bonds (distance) C4'-P energy: -7.637
bonds (distance) P-C4' energy: -8.743
flat angles C4'-P-C4' energy: -7.329
flat angles P-C4'-P energy: -4.508
tors. eta vs tors. theta energy: -5.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -60.658462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.658462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.658462 (E_RNA)
where:
Base-Base interactions energy: -14.374
where: short stacking energy: -6.485
Base-Backbone interact. energy: -0.352
local terms energy: -45.931845
where:
bonds (distance) C4'-P energy: -12.919
bonds (distance) P-C4' energy: -12.710
flat angles C4'-P-C4' energy: -12.870
flat angles P-C4'-P energy: -11.198
tors. eta vs tors. theta energy: 3.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -181.401075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.401075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.401075 (E_RNA)
where:
Base-Base interactions energy: -116.969
where: short stacking energy: -46.906
Base-Backbone interact. energy: -0.045
local terms energy: -64.387303
where:
bonds (distance) C4'-P energy: -13.131
bonds (distance) P-C4' energy: -13.728
flat angles C4'-P-C4' energy: -12.339
flat angles P-C4'-P energy: -8.366
tors. eta vs tors. theta energy: -16.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -179.591387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.591387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.591387 (E_RNA)
where:
Base-Base interactions energy: -117.545
where: short stacking energy: -47.019
Base-Backbone interact. energy: -0.032
local terms energy: -62.014081
where:
bonds (distance) C4'-P energy: -10.982
bonds (distance) P-C4' energy: -12.104
flat angles C4'-P-C4' energy: -13.658
flat angles P-C4'-P energy: -10.705
tors. eta vs tors. theta energy: -14.565
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: 3
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -173.535652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.535652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.535652 (E_RNA)
where:
Base-Base interactions energy: -115.231
where: short stacking energy: -41.705
Base-Backbone interact. energy: 0.011
local terms energy: -58.315305
where:
bonds (distance) C4'-P energy: -10.080
bonds (distance) P-C4' energy: -12.370
flat angles C4'-P-C4' energy: -11.704
flat angles P-C4'-P energy: -8.837
tors. eta vs tors. theta energy: -15.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -174.402446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.402446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.402446 (E_RNA)
where:
Base-Base interactions energy: -113.995
where: short stacking energy: -42.719
Base-Backbone interact. energy: -1.126
local terms energy: -59.281588
where:
bonds (distance) C4'-P energy: -8.855
bonds (distance) P-C4' energy: -12.105
flat angles C4'-P-C4' energy: -12.742
flat angles P-C4'-P energy: -10.475
tors. eta vs tors. theta energy: -15.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -78.583990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.583990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.583990 (E_RNA)
where:
Base-Base interactions energy: -24.569
where: short stacking energy: -23.873
Base-Backbone interact. energy: -0.051
local terms energy: -53.964476
where:
bonds (distance) C4'-P energy: -12.842
bonds (distance) P-C4' energy: -9.749
flat angles C4'-P-C4' energy: -12.782
flat angles P-C4'-P energy: -11.173
tors. eta vs tors. theta energy: -7.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -80.332208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.332208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.332208 (E_RNA)
where:
Base-Base interactions energy: -37.188
where: short stacking energy: -18.621
Base-Backbone interact. energy: -0.377
local terms energy: -42.766750
where:
bonds (distance) C4'-P energy: -12.617
bonds (distance) P-C4' energy: -11.433
flat angles C4'-P-C4' energy: -10.732
flat angles P-C4'-P energy: -6.620
tors. eta vs tors. theta energy: -1.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -63.230095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.230095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.230095 (E_RNA)
where:
Base-Base interactions energy: -37.766
where: short stacking energy: -13.895
Base-Backbone interact. energy: -1.240
local terms energy: -24.223546
where:
bonds (distance) C4'-P energy: -12.195
bonds (distance) P-C4' energy: -9.716
flat angles C4'-P-C4' energy: -6.710
flat angles P-C4'-P energy: 1.180
tors. eta vs tors. theta energy: 3.218
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: 8
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -57.908310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.908310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.908310 (E_RNA)
where:
Base-Base interactions energy: -15.711
where: short stacking energy: -15.711
Base-Backbone interact. energy: 0.601
local terms energy: -42.798976
where:
bonds (distance) C4'-P energy: -11.624
bonds (distance) P-C4' energy: -10.753
flat angles C4'-P-C4' energy: -11.044
flat angles P-C4'-P energy: -6.153
tors. eta vs tors. theta energy: -3.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -77.166412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.166412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.166412 (E_RNA)
where:
Base-Base interactions energy: -41.373
where: short stacking energy: -18.080
Base-Backbone interact. energy: -0.022
local terms energy: -35.771544
where:
bonds (distance) C4'-P energy: -9.732
bonds (distance) P-C4' energy: -11.954
flat angles C4'-P-C4' energy: -10.045
flat angles P-C4'-P energy: -4.501
tors. eta vs tors. theta energy: 0.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -61.518108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.518108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.518108 (E_RNA)
where:
Base-Base interactions energy: -28.473
where: short stacking energy: -3.494
Base-Backbone interact. energy: -0.471
local terms energy: -32.574309
where:
bonds (distance) C4'-P energy: -12.327
bonds (distance) P-C4' energy: -12.506
flat angles C4'-P-C4' energy: -8.302
flat angles P-C4'-P energy: -1.933
tors. eta vs tors. theta energy: 2.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -181.820084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.820084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.820084 (E_RNA)
where:
Base-Base interactions energy: -118.909
where: short stacking energy: -43.332
Base-Backbone interact. energy: -0.150
local terms energy: -62.760999
where:
bonds (distance) C4'-P energy: -12.953
bonds (distance) P-C4' energy: -12.596
flat angles C4'-P-C4' energy: -12.757
flat angles P-C4'-P energy: -10.846
tors. eta vs tors. theta energy: -13.609
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: 1
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -176.377110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.377110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.377110 (E_RNA)
where:
Base-Base interactions energy: -110.220
where: short stacking energy: -45.272
Base-Backbone interact. energy: -0.025
local terms energy: -66.131501
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -12.165
flat angles C4'-P-C4' energy: -13.095
flat angles P-C4'-P energy: -9.996
tors. eta vs tors. theta energy: -18.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -172.968062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.968062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.968062 (E_RNA)
where:
Base-Base interactions energy: -108.074
where: short stacking energy: -48.199
Base-Backbone interact. energy: -0.003
local terms energy: -64.891126
where:
bonds (distance) C4'-P energy: -12.795
bonds (distance) P-C4' energy: -11.880
flat angles C4'-P-C4' energy: -13.173
flat angles P-C4'-P energy: -10.483
tors. eta vs tors. theta energy: -16.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -168.823484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.823484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.823484 (E_RNA)
where:
Base-Base interactions energy: -113.534
where: short stacking energy: -44.217
Base-Backbone interact. energy: 0.083
local terms energy: -55.373015
where:
bonds (distance) C4'-P energy: -8.713
bonds (distance) P-C4' energy: -10.550
flat angles C4'-P-C4' energy: -12.384
flat angles P-C4'-P energy: -8.406
tors. eta vs tors. theta energy: -15.320
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: 10
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -78.598144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.598144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.598144 (E_RNA)
where:
Base-Base interactions energy: -32.989
where: short stacking energy: -15.500
Base-Backbone interact. energy: -0.185
local terms energy: -45.423844
where:
bonds (distance) C4'-P energy: -8.938
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -14.142
flat angles P-C4'-P energy: -8.265
tors. eta vs tors. theta energy: -1.026
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: 9
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -73.429817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.429817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.429817 (E_RNA)
where:
Base-Base interactions energy: -27.453
where: short stacking energy: -26.488
Base-Backbone interact. energy: -0.000
local terms energy: -45.976260
where:
bonds (distance) C4'-P energy: -8.553
bonds (distance) P-C4' energy: -12.159
flat angles C4'-P-C4' energy: -6.158
flat angles P-C4'-P energy: -8.010
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: 7, replica: 5
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -73.295278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.295278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.295278 (E_RNA)
where:
Base-Base interactions energy: -33.703
where: short stacking energy: -14.376
Base-Backbone interact. energy: -0.214
local terms energy: -39.378119
where:
bonds (distance) C4'-P energy: -8.494
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -13.288
flat angles P-C4'-P energy: -3.727
tors. eta vs tors. theta energy: -0.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -68.293149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.293149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.293149 (E_RNA)
where:
Base-Base interactions energy: -28.214
where: short stacking energy: -19.698
Base-Backbone interact. energy: -0.123
local terms energy: -39.956289
where:
bonds (distance) C4'-P energy: -7.271
bonds (distance) P-C4' energy: -9.736
flat angles C4'-P-C4' energy: -8.393
flat angles P-C4'-P energy: -8.664
tors. eta vs tors. theta energy: -5.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -73.345487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.345487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.345487 (E_RNA)
where:
Base-Base interactions energy: -32.642
where: short stacking energy: -14.609
Base-Backbone interact. energy: -0.190
local terms energy: -40.512820
where:
bonds (distance) C4'-P energy: -9.446
bonds (distance) P-C4' energy: -11.817
flat angles C4'-P-C4' energy: -11.053
flat angles P-C4'-P energy: -5.520
tors. eta vs tors. theta energy: -2.677
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: 4
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -66.667312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.667312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.667312 (E_RNA)
where:
Base-Base interactions energy: -26.277
where: short stacking energy: -18.711
Base-Backbone interact. energy: -0.041
local terms energy: -40.348551
where:
bonds (distance) C4'-P energy: -11.525
bonds (distance) P-C4' energy: -14.041
flat angles C4'-P-C4' energy: -13.132
flat angles P-C4'-P energy: -1.629
tors. eta vs tors. theta energy: -0.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -177.926189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.926189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.926189 (E_RNA)
where:
Base-Base interactions energy: -119.633
where: short stacking energy: -42.347
Base-Backbone interact. energy: -0.263
local terms energy: -58.030355
where:
bonds (distance) C4'-P energy: -10.807
bonds (distance) P-C4' energy: -10.248
flat angles C4'-P-C4' energy: -13.949
flat angles P-C4'-P energy: -9.113
tors. eta vs tors. theta energy: -13.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -178.859665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.859665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.859665 (E_RNA)
where:
Base-Base interactions energy: -115.718
where: short stacking energy: -50.688
Base-Backbone interact. energy: -0.012
local terms energy: -63.129097
where:
bonds (distance) C4'-P energy: -9.397
bonds (distance) P-C4' energy: -14.318
flat angles C4'-P-C4' energy: -12.458
flat angles P-C4'-P energy: -9.937
tors. eta vs tors. theta energy: -17.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -178.487858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.487858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.487858 (E_RNA)
where:
Base-Base interactions energy: -113.864
where: short stacking energy: -44.126
Base-Backbone interact. energy: -0.071
local terms energy: -64.552620
where:
bonds (distance) C4'-P energy: -11.748
bonds (distance) P-C4' energy: -13.343
flat angles C4'-P-C4' energy: -13.400
flat angles P-C4'-P energy: -10.775
tors. eta vs tors. theta energy: -15.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -171.500634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.500634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.500634 (E_RNA)
where:
Base-Base interactions energy: -107.770
where: short stacking energy: -40.256
Base-Backbone interact. energy: -0.001
local terms energy: -63.729676
where:
bonds (distance) C4'-P energy: -12.025
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -12.448
flat angles P-C4'-P energy: -10.652
tors. eta vs tors. theta energy: -14.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -88.716628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.716628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.716628 (E_RNA)
where:
Base-Base interactions energy: -53.529
where: short stacking energy: -21.226
Base-Backbone interact. energy: 1.843
local terms energy: -37.031178
where:
bonds (distance) C4'-P energy: -9.686
bonds (distance) P-C4' energy: -12.313
flat angles C4'-P-C4' energy: -5.208
flat angles P-C4'-P energy: -6.339
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: 6, replica: 5
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -69.464780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.464780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.464780 (E_RNA)
where:
Base-Base interactions energy: -27.557
where: short stacking energy: -16.631
Base-Backbone interact. energy: -0.059
local terms energy: -41.848715
where:
bonds (distance) C4'-P energy: -12.662
bonds (distance) P-C4' energy: -12.818
flat angles C4'-P-C4' energy: -9.706
flat angles P-C4'-P energy: -5.050
tors. eta vs tors. theta energy: -1.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -67.729884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.729884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.729884 (E_RNA)
where:
Base-Base interactions energy: -21.037
where: short stacking energy: -17.846
Base-Backbone interact. energy: 0.046
local terms energy: -46.738944
where:
bonds (distance) C4'-P energy: -10.150
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -12.773
flat angles P-C4'-P energy: -6.968
tors. eta vs tors. theta energy: -2.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -66.767711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.767711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.767711 (E_RNA)
where:
Base-Base interactions energy: -25.305
where: short stacking energy: -10.583
Base-Backbone interact. energy: -0.224
local terms energy: -41.239112
where:
bonds (distance) C4'-P energy: -11.099
bonds (distance) P-C4' energy: -12.607
flat angles C4'-P-C4' energy: -9.548
flat angles P-C4'-P energy: -6.873
tors. eta vs tors. theta energy: -1.112
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: 8
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -59.334939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.334939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.334939 (E_RNA)
where:
Base-Base interactions energy: -21.171
where: short stacking energy: -8.219
Base-Backbone interact. energy: -0.365
local terms energy: -37.799824
where:
bonds (distance) C4'-P energy: -10.291
bonds (distance) P-C4' energy: -11.081
flat angles C4'-P-C4' energy: -10.591
flat angles P-C4'-P energy: -4.552
tors. eta vs tors. theta energy: -1.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -57.347007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.347007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.347007 (E_RNA)
where:
Base-Base interactions energy: -27.067
where: short stacking energy: -18.016
Base-Backbone interact. energy: 1.791
local terms energy: -32.070907
where:
bonds (distance) C4'-P energy: -8.424
bonds (distance) P-C4' energy: -9.869
flat angles C4'-P-C4' energy: -7.762
flat angles P-C4'-P energy: -3.785
tors. eta vs tors. theta energy: -2.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -179.699418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.699418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.699418 (E_RNA)
where:
Base-Base interactions energy: -116.236
where: short stacking energy: -46.714
Base-Backbone interact. energy: -0.038
local terms energy: -63.425973
where:
bonds (distance) C4'-P energy: -11.946
bonds (distance) P-C4' energy: -12.697
flat angles C4'-P-C4' energy: -12.909
flat angles P-C4'-P energy: -9.070
tors. eta vs tors. theta energy: -16.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -180.456922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.456922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.456922 (E_RNA)
where:
Base-Base interactions energy: -116.699
where: short stacking energy: -46.964
Base-Backbone interact. energy: -0.026
local terms energy: -63.731989
where:
bonds (distance) C4'-P energy: -12.166
bonds (distance) P-C4' energy: -13.359
flat angles C4'-P-C4' energy: -12.633
flat angles P-C4'-P energy: -7.350
tors. eta vs tors. theta energy: -18.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -174.445970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.445970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.445970 (E_RNA)
where:
Base-Base interactions energy: -115.402
where: short stacking energy: -46.336
Base-Backbone interact. energy: -0.002
local terms energy: -59.042135
where:
bonds (distance) C4'-P energy: -10.990
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -12.070
flat angles P-C4'-P energy: -7.637
tors. eta vs tors. theta energy: -13.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -168.003388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.003388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.003388 (E_RNA)
where:
Base-Base interactions energy: -106.784
where: short stacking energy: -42.929
Base-Backbone interact. energy: -0.602
local terms energy: -60.618123
where:
bonds (distance) C4'-P energy: -11.040
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -13.510
flat angles P-C4'-P energy: -9.982
tors. eta vs tors. theta energy: -12.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -84.535467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.535467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.535467 (E_RNA)
where:
Base-Base interactions energy: -41.471
where: short stacking energy: -16.018
Base-Backbone interact. energy: -0.132
local terms energy: -42.932782
where:
bonds (distance) C4'-P energy: -10.850
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -12.474
flat angles P-C4'-P energy: -6.422
tors. eta vs tors. theta energy: 1.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -71.423986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.423986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.423986 (E_RNA)
where:
Base-Base interactions energy: -23.032
where: short stacking energy: -23.032
Base-Backbone interact. energy: -0.073
local terms energy: -48.318920
where:
bonds (distance) C4'-P energy: -12.117
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -11.105
flat angles P-C4'-P energy: -7.893
tors. eta vs tors. theta energy: -3.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -69.731956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.731956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.731956 (E_RNA)
where:
Base-Base interactions energy: -30.188
where: short stacking energy: -11.860
Base-Backbone interact. energy: -0.494
local terms energy: -39.050408
where:
bonds (distance) C4'-P energy: -10.687
bonds (distance) P-C4' energy: -12.423
flat angles C4'-P-C4' energy: -13.168
flat angles P-C4'-P energy: -3.116
tors. eta vs tors. theta energy: 0.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -63.973686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.973686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.973686 (E_RNA)
where:
Base-Base interactions energy: -21.811
where: short stacking energy: -17.064
Base-Backbone interact. energy: -0.191
local terms energy: -41.971805
where:
bonds (distance) C4'-P energy: -7.382
bonds (distance) P-C4' energy: -13.258
flat angles C4'-P-C4' energy: -9.878
flat angles P-C4'-P energy: -6.368
tors. eta vs tors. theta energy: -5.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -69.006932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.006932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.006932 (E_RNA)
where:
Base-Base interactions energy: -26.060
where: short stacking energy: -18.665
Base-Backbone interact. energy: -0.187
local terms energy: -42.760038
where:
bonds (distance) C4'-P energy: -7.455
bonds (distance) P-C4' energy: -12.616
flat angles C4'-P-C4' energy: -11.127
flat angles P-C4'-P energy: -7.588
tors. eta vs tors. theta energy: -3.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -56.242261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.242261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.242261 (E_RNA)
where:
Base-Base interactions energy: -19.644
where: short stacking energy: -10.671
Base-Backbone interact. energy: 0.077
local terms energy: -36.675105
where:
bonds (distance) C4'-P energy: -9.830
bonds (distance) P-C4' energy: -10.696
flat angles C4'-P-C4' energy: -11.668
flat angles P-C4'-P energy: -5.870
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: 6
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -184.933537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.933537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.933537 (E_RNA)
where:
Base-Base interactions energy: -119.234
where: short stacking energy: -49.653
Base-Backbone interact. energy: 0.283
local terms energy: -65.982551
where:
bonds (distance) C4'-P energy: -13.806
bonds (distance) P-C4' energy: -13.408
flat angles C4'-P-C4' energy: -13.650
flat angles P-C4'-P energy: -7.596
tors. eta vs tors. theta energy: -17.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -178.208891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.208891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.208891 (E_RNA)
where:
Base-Base interactions energy: -111.648
where: short stacking energy: -50.064
Base-Backbone interact. energy: -0.041
local terms energy: -66.519725
where:
bonds (distance) C4'-P energy: -11.934
bonds (distance) P-C4' energy: -13.321
flat angles C4'-P-C4' energy: -14.094
flat angles P-C4'-P energy: -9.409
tors. eta vs tors. theta energy: -17.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -178.347984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.347984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.347984 (E_RNA)
where:
Base-Base interactions energy: -114.318
where: short stacking energy: -47.910
Base-Backbone interact. energy: -0.399
local terms energy: -63.630908
where:
bonds (distance) C4'-P energy: -11.512
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -10.949
flat angles P-C4'-P energy: -11.042
tors. eta vs tors. theta energy: -16.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -174.902682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.902682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.902682 (E_RNA)
where:
Base-Base interactions energy: -109.361
where: short stacking energy: -42.899
Base-Backbone interact. energy: -0.026
local terms energy: -65.515607
where:
bonds (distance) C4'-P energy: -11.500
bonds (distance) P-C4' energy: -14.269
flat angles C4'-P-C4' energy: -11.255
flat angles P-C4'-P energy: -12.108
tors. eta vs tors. theta energy: -16.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -117.686457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.686457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.686457 (E_RNA)
where:
Base-Base interactions energy: -78.447
where: short stacking energy: -36.728
Base-Backbone interact. energy: 0.087
local terms energy: -39.326831
where:
bonds (distance) C4'-P energy: -8.655
bonds (distance) P-C4' energy: -10.030
flat angles C4'-P-C4' energy: -6.256
flat angles P-C4'-P energy: -7.255
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: 2
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -112.216284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.216284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.216284 (E_RNA)
where:
Base-Base interactions energy: -63.196
where: short stacking energy: -22.031
Base-Backbone interact. energy: -0.035
local terms energy: -48.985359
where:
bonds (distance) C4'-P energy: -11.784
bonds (distance) P-C4' energy: -13.110
flat angles C4'-P-C4' energy: -8.296
flat angles P-C4'-P energy: -3.046
tors. eta vs tors. theta energy: -12.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -69.400202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.400202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.400202 (E_RNA)
where:
Base-Base interactions energy: -32.924
where: short stacking energy: -9.887
Base-Backbone interact. energy: -0.052
local terms energy: -36.423676
where:
bonds (distance) C4'-P energy: -8.978
bonds (distance) P-C4' energy: -11.089
flat angles C4'-P-C4' energy: -9.381
flat angles P-C4'-P energy: -7.383
tors. eta vs tors. theta energy: 0.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -65.311091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.311091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.311091 (E_RNA)
where:
Base-Base interactions energy: -22.751
where: short stacking energy: -13.410
Base-Backbone interact. energy: -0.347
local terms energy: -42.212731
where:
bonds (distance) C4'-P energy: -13.255
bonds (distance) P-C4' energy: -12.184
flat angles C4'-P-C4' energy: -12.358
flat angles P-C4'-P energy: -4.295
tors. eta vs tors. theta energy: -0.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -58.892160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.892160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.892160 (E_RNA)
where:
Base-Base interactions energy: -18.308
where: short stacking energy: -11.110
Base-Backbone interact. energy: 1.002
local terms energy: -41.585993
where:
bonds (distance) C4'-P energy: -11.917
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -8.689
flat angles P-C4'-P energy: -3.762
tors. eta vs tors. theta energy: -2.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -66.403055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.403055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.403055 (E_RNA)
where:
Base-Base interactions energy: -24.321
where: short stacking energy: -14.614
Base-Backbone interact. energy: -0.374
local terms energy: -41.708031
where:
bonds (distance) C4'-P energy: -10.961
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -12.310
flat angles P-C4'-P energy: -6.210
tors. eta vs tors. theta energy: 2.451
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: 3
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -182.237676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.237676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.237676 (E_RNA)
where:
Base-Base interactions energy: -119.091
where: short stacking energy: -44.454
Base-Backbone interact. energy: -0.015
local terms energy: -63.131278
where:
bonds (distance) C4'-P energy: -12.120
bonds (distance) P-C4' energy: -12.796
flat angles C4'-P-C4' energy: -10.609
flat angles P-C4'-P energy: -9.906
tors. eta vs tors. theta energy: -17.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -181.364778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.364778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.364778 (E_RNA)
where:
Base-Base interactions energy: -113.303
where: short stacking energy: -48.582
Base-Backbone interact. energy: -0.001
local terms energy: -68.060701
where:
bonds (distance) C4'-P energy: -12.833
bonds (distance) P-C4' energy: -13.991
flat angles C4'-P-C4' energy: -13.626
flat angles P-C4'-P energy: -9.781
tors. eta vs tors. theta energy: -17.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -174.345771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.345771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.345771 (E_RNA)
where:
Base-Base interactions energy: -124.855
where: short stacking energy: -41.042
Base-Backbone interact. energy: -0.138
local terms energy: -49.352346
where:
bonds (distance) C4'-P energy: -9.210
bonds (distance) P-C4' energy: -10.662
flat angles C4'-P-C4' energy: -9.446
flat angles P-C4'-P energy: -2.834
tors. eta vs tors. theta energy: -17.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -177.347215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.347215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.347215 (E_RNA)
where:
Base-Base interactions energy: -119.107
where: short stacking energy: -49.266
Base-Backbone interact. energy: -0.002
local terms energy: -58.238239
where:
bonds (distance) C4'-P energy: -11.950
bonds (distance) P-C4' energy: -9.863
flat angles C4'-P-C4' energy: -13.200
flat angles P-C4'-P energy: -6.993
tors. eta vs tors. theta energy: -16.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -146.247256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.247256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.247256 (E_RNA)
where:
Base-Base interactions energy: -95.899
where: short stacking energy: -38.693
Base-Backbone interact. energy: -0.144
local terms energy: -50.203303
where:
bonds (distance) C4'-P energy: -12.734
bonds (distance) P-C4' energy: -7.230
flat angles C4'-P-C4' energy: -12.388
flat angles P-C4'-P energy: -6.301
tors. eta vs tors. theta energy: -11.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -68.173425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.173425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.173425 (E_RNA)
where:
Base-Base interactions energy: -28.968
where: short stacking energy: -17.221
Base-Backbone interact. energy: -0.164
local terms energy: -39.041264
where:
bonds (distance) C4'-P energy: -8.470
bonds (distance) P-C4' energy: -10.972
flat angles C4'-P-C4' energy: -9.071
flat angles P-C4'-P energy: -10.365
tors. eta vs tors. theta energy: -0.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -75.614857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.614857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.614857 (E_RNA)
where:
Base-Base interactions energy: -28.113
where: short stacking energy: -16.336
Base-Backbone interact. energy: -0.027
local terms energy: -47.475222
where:
bonds (distance) C4'-P energy: -9.384
bonds (distance) P-C4' energy: -14.389
flat angles C4'-P-C4' energy: -11.825
flat angles P-C4'-P energy: -7.231
tors. eta vs tors. theta energy: -4.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -67.889150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.889150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.889150 (E_RNA)
where:
Base-Base interactions energy: -33.094
where: short stacking energy: -12.802
Base-Backbone interact. energy: 0.144
local terms energy: -34.939228
where:
bonds (distance) C4'-P energy: -8.709
bonds (distance) P-C4' energy: -12.592
flat angles C4'-P-C4' energy: -8.812
flat angles P-C4'-P energy: -7.866
tors. eta vs tors. theta energy: 3.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -64.006407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.006407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.006407 (E_RNA)
where:
Base-Base interactions energy: -24.998
where: short stacking energy: -9.613
Base-Backbone interact. energy: -1.089
local terms energy: -37.919701
where:
bonds (distance) C4'-P energy: -11.463
bonds (distance) P-C4' energy: -12.147
flat angles C4'-P-C4' energy: -10.840
flat angles P-C4'-P energy: -0.885
tors. eta vs tors. theta energy: -2.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -60.249305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.249305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.249305 (E_RNA)
where:
Base-Base interactions energy: -20.097
where: short stacking energy: -6.870
Base-Backbone interact. energy: -1.796
local terms energy: -38.356439
where:
bonds (distance) C4'-P energy: -11.789
bonds (distance) P-C4' energy: -10.178
flat angles C4'-P-C4' energy: -8.912
flat angles P-C4'-P energy: -9.318
tors. eta vs tors. theta energy: 1.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -186.874687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.874687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.874687 (E_RNA)
where:
Base-Base interactions energy: -122.033
where: short stacking energy: -52.026
Base-Backbone interact. energy: -0.095
local terms energy: -64.746794
where:
bonds (distance) C4'-P energy: -12.311
bonds (distance) P-C4' energy: -9.219
flat angles C4'-P-C4' energy: -14.974
flat angles P-C4'-P energy: -10.449
tors. eta vs tors. theta energy: -17.793
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: 327
Temperature: 0.950000
Total energy: -175.424643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.424643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.424643 (E_RNA)
where:
Base-Base interactions energy: -112.711
where: short stacking energy: -47.593
Base-Backbone interact. energy: -0.007
local terms energy: -62.706792
where:
bonds (distance) C4'-P energy: -11.728
bonds (distance) P-C4' energy: -9.378
flat angles C4'-P-C4' energy: -14.125
flat angles P-C4'-P energy: -10.302
tors. eta vs tors. theta energy: -17.174
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: 1
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -147.774532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.774532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.774532 (E_RNA)
where:
Base-Base interactions energy: -91.445
where: short stacking energy: -41.228
Base-Backbone interact. energy: -0.003
local terms energy: -56.326636
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -13.025
flat angles C4'-P-C4' energy: -8.938
flat angles P-C4'-P energy: -6.608
tors. eta vs tors. theta energy: -13.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -175.093525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.093525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.093525 (E_RNA)
where:
Base-Base interactions energy: -111.580
where: short stacking energy: -46.166
Base-Backbone interact. energy: 0.108
local terms energy: -63.621085
where:
bonds (distance) C4'-P energy: -11.268
bonds (distance) P-C4' energy: -13.486
flat angles C4'-P-C4' energy: -12.723
flat angles P-C4'-P energy: -9.386
tors. eta vs tors. theta energy: -16.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -131.054716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.054716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.054716 (E_RNA)
where:
Base-Base interactions energy: -80.375
where: short stacking energy: -34.529
Base-Backbone interact. energy: -0.248
local terms energy: -50.431431
where:
bonds (distance) C4'-P energy: -11.091
bonds (distance) P-C4' energy: -10.092
flat angles C4'-P-C4' energy: -13.484
flat angles P-C4'-P energy: -7.372
tors. eta vs tors. theta energy: -8.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -69.251078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.251078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.251078 (E_RNA)
where:
Base-Base interactions energy: -28.830
where: short stacking energy: -24.866
Base-Backbone interact. energy: -0.190
local terms energy: -40.231246
where:
bonds (distance) C4'-P energy: -9.136
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -7.301
flat angles P-C4'-P energy: -7.548
tors. eta vs tors. theta energy: -3.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -66.966548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.966548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.966548 (E_RNA)
where:
Base-Base interactions energy: -21.977
where: short stacking energy: -21.504
Base-Backbone interact. energy: -0.099
local terms energy: -44.890680
where:
bonds (distance) C4'-P energy: -13.354
bonds (distance) P-C4' energy: -11.054
flat angles C4'-P-C4' energy: -9.009
flat angles P-C4'-P energy: -5.566
tors. eta vs tors. theta energy: -5.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -63.985412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.985412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.985412 (E_RNA)
where:
Base-Base interactions energy: -19.829
where: short stacking energy: -13.881
Base-Backbone interact. energy: -0.203
local terms energy: -43.953767
where:
bonds (distance) C4'-P energy: -11.052
bonds (distance) P-C4' energy: -12.895
flat angles C4'-P-C4' energy: -11.766
flat angles P-C4'-P energy: -6.127
tors. eta vs tors. theta energy: -2.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -65.313142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.313142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.313142 (E_RNA)
where:
Base-Base interactions energy: -24.800
where: short stacking energy: -24.800
Base-Backbone interact. energy: -0.789
local terms energy: -39.724331
where:
bonds (distance) C4'-P energy: -10.999
bonds (distance) P-C4' energy: -12.626
flat angles C4'-P-C4' energy: -6.041
flat angles P-C4'-P energy: -8.408
tors. eta vs tors. theta energy: -1.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -61.998930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.998930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.998930 (E_RNA)
where:
Base-Base interactions energy: -18.803
where: short stacking energy: -17.294
Base-Backbone interact. energy: -0.102
local terms energy: -43.093686
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -13.318
flat angles C4'-P-C4' energy: -10.649
flat angles P-C4'-P energy: -7.181
tors. eta vs tors. theta energy: 0.625
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: 6
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -177.920309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.920309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.920309 (E_RNA)
where:
Base-Base interactions energy: -116.420
where: short stacking energy: -48.674
Base-Backbone interact. energy: -0.087
local terms energy: -61.414159
where:
bonds (distance) C4'-P energy: -9.855
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -13.120
flat angles P-C4'-P energy: -8.697
tors. eta vs tors. theta energy: -15.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -176.143970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.143970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.143970 (E_RNA)
where:
Base-Base interactions energy: -110.892
where: short stacking energy: -47.253
Base-Backbone interact. energy: -1.058
local terms energy: -64.193505
where:
bonds (distance) C4'-P energy: -10.245
bonds (distance) P-C4' energy: -12.923
flat angles C4'-P-C4' energy: -13.683
flat angles P-C4'-P energy: -9.720
tors. eta vs tors. theta energy: -17.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -176.869974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.869974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.869974 (E_RNA)
where:
Base-Base interactions energy: -115.681
where: short stacking energy: -47.692
Base-Backbone interact. energy: -0.015
local terms energy: -61.173237
where:
bonds (distance) C4'-P energy: -10.221
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -11.542
flat angles P-C4'-P energy: -10.768
tors. eta vs tors. theta energy: -15.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -136.159330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.159330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.159330 (E_RNA)
where:
Base-Base interactions energy: -84.523
where: short stacking energy: -34.648
Base-Backbone interact. energy: -1.096
local terms energy: -50.539891
where:
bonds (distance) C4'-P energy: -10.896
bonds (distance) P-C4' energy: -12.923
flat angles C4'-P-C4' energy: -13.519
flat angles P-C4'-P energy: -5.732
tors. eta vs tors. theta energy: -7.470
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: 5, replica: 5
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -96.849221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.849221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.849221 (E_RNA)
where:
Base-Base interactions energy: -48.065
where: short stacking energy: -28.328
Base-Backbone interact. energy: -0.104
local terms energy: -48.680221
where:
bonds (distance) C4'-P energy: -12.848
bonds (distance) P-C4' energy: -13.634
flat angles C4'-P-C4' energy: -13.595
flat angles P-C4'-P energy: -3.322
tors. eta vs tors. theta energy: -5.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -118.279858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.279858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.279858 (E_RNA)
where:
Base-Base interactions energy: -66.406
where: short stacking energy: -33.466
Base-Backbone interact. energy: -0.007
local terms energy: -51.867264
where:
bonds (distance) C4'-P energy: -10.889
bonds (distance) P-C4' energy: -13.304
flat angles C4'-P-C4' energy: -11.172
flat angles P-C4'-P energy: -8.340
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: 7, replica: 8
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -79.865492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.865492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.865492 (E_RNA)
where:
Base-Base interactions energy: -34.933
where: short stacking energy: -22.755
Base-Backbone interact. energy: -0.029
local terms energy: -44.903341
where:
bonds (distance) C4'-P energy: -10.536
bonds (distance) P-C4' energy: -11.973
flat angles C4'-P-C4' energy: -10.167
flat angles P-C4'-P energy: -6.834
tors. eta vs tors. theta energy: -5.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -60.954390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.954390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.954390 (E_RNA)
where:
Base-Base interactions energy: -20.718
where: short stacking energy: -17.519
Base-Backbone interact. energy: -0.120
local terms energy: -40.117120
where:
bonds (distance) C4'-P energy: -8.971
bonds (distance) P-C4' energy: -12.843
flat angles C4'-P-C4' energy: -12.119
flat angles P-C4'-P energy: -4.766
tors. eta vs tors. theta energy: -1.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -57.594667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.594667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.594667 (E_RNA)
where:
Base-Base interactions energy: -23.693
where: short stacking energy: -9.610
Base-Backbone interact. energy: 0.242
local terms energy: -34.143445
where:
bonds (distance) C4'-P energy: -9.988
bonds (distance) P-C4' energy: -10.809
flat angles C4'-P-C4' energy: -8.905
flat angles P-C4'-P energy: -1.300
tors. eta vs tors. theta energy: -3.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -55.014653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.014653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.014653 (E_RNA)
where:
Base-Base interactions energy: -20.235
where: short stacking energy: -3.864
Base-Backbone interact. energy: -0.077
local terms energy: -34.702564
where:
bonds (distance) C4'-P energy: -12.287
bonds (distance) P-C4' energy: -12.926
flat angles C4'-P-C4' energy: -8.275
flat angles P-C4'-P energy: -5.857
tors. eta vs tors. theta energy: 4.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -184.559355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.559355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.559355 (E_RNA)
where:
Base-Base interactions energy: -128.249
where: short stacking energy: -47.095
Base-Backbone interact. energy: -0.184
local terms energy: -56.126057
where:
bonds (distance) C4'-P energy: -10.556
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -12.608
flat angles P-C4'-P energy: -8.095
tors. eta vs tors. theta energy: -11.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -182.193911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.193911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.193911 (E_RNA)
where:
Base-Base interactions energy: -114.765
where: short stacking energy: -46.492
Base-Backbone interact. energy: -0.009
local terms energy: -67.419172
where:
bonds (distance) C4'-P energy: -12.787
bonds (distance) P-C4' energy: -13.530
flat angles C4'-P-C4' energy: -13.864
flat angles P-C4'-P energy: -9.921
tors. eta vs tors. theta energy: -17.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -162.474653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.474653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.474653 (E_RNA)
where:
Base-Base interactions energy: -105.782
where: short stacking energy: -37.606
Base-Backbone interact. energy: -0.155
local terms energy: -56.537583
where:
bonds (distance) C4'-P energy: -9.377
bonds (distance) P-C4' energy: -12.666
flat angles C4'-P-C4' energy: -12.698
flat angles P-C4'-P energy: -6.303
tors. eta vs tors. theta energy: -15.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -159.908807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.908807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.908807 (E_RNA)
where:
Base-Base interactions energy: -99.843
where: short stacking energy: -38.165
Base-Backbone interact. energy: -0.001
local terms energy: -60.064829
where:
bonds (distance) C4'-P energy: -8.087
bonds (distance) P-C4' energy: -12.722
flat angles C4'-P-C4' energy: -13.292
flat angles P-C4'-P energy: -8.446
tors. eta vs tors. theta energy: -17.516
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: 5
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -94.959303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.959303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.959303 (E_RNA)
where:
Base-Base interactions energy: -44.991
where: short stacking energy: -22.910
Base-Backbone interact. energy: -0.071
local terms energy: -49.897499
where:
bonds (distance) C4'-P energy: -9.616
bonds (distance) P-C4' energy: -12.253
flat angles C4'-P-C4' energy: -10.665
flat angles P-C4'-P energy: -11.538
tors. eta vs tors. theta energy: -5.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -124.830899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.830899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.830899 (E_RNA)
where:
Base-Base interactions energy: -75.824
where: short stacking energy: -33.222
Base-Backbone interact. energy: -0.001
local terms energy: -49.006431
where:
bonds (distance) C4'-P energy: -13.085
bonds (distance) P-C4' energy: -12.546
flat angles C4'-P-C4' energy: -10.782
flat angles P-C4'-P energy: -4.590
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: 7, replica: 8
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -81.279395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.279395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.279395 (E_RNA)
where:
Base-Base interactions energy: -39.775
where: short stacking energy: -18.727
Base-Backbone interact. energy: -0.166
local terms energy: -41.338336
where:
bonds (distance) C4'-P energy: -9.186
bonds (distance) P-C4' energy: -9.027
flat angles C4'-P-C4' energy: -10.849
flat angles P-C4'-P energy: -8.710
tors. eta vs tors. theta energy: -3.567
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: 4
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -61.345884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.345884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.345884 (E_RNA)
where:
Base-Base interactions energy: -27.082
where: short stacking energy: -18.007
Base-Backbone interact. energy: -0.185
local terms energy: -34.078864
where:
bonds (distance) C4'-P energy: -6.448
bonds (distance) P-C4' energy: -11.135
flat angles C4'-P-C4' energy: -10.967
flat angles P-C4'-P energy: -3.855
tors. eta vs tors. theta energy: -1.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -59.840366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.840366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.840366 (E_RNA)
where:
Base-Base interactions energy: -27.012
where: short stacking energy: -16.952
Base-Backbone interact. energy: -0.271
local terms energy: -32.557646
where:
bonds (distance) C4'-P energy: -2.540
bonds (distance) P-C4' energy: -9.666
flat angles C4'-P-C4' energy: -10.766
flat angles P-C4'-P energy: -8.542
tors. eta vs tors. theta energy: -1.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -63.757065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.757065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.757065 (E_RNA)
where:
Base-Base interactions energy: -31.964
where: short stacking energy: -18.062
Base-Backbone interact. energy: -0.208
local terms energy: -31.584495
where:
bonds (distance) C4'-P energy: -9.012
bonds (distance) P-C4' energy: -8.648
flat angles C4'-P-C4' energy: -11.289
flat angles P-C4'-P energy: -0.217
tors. eta vs tors. theta energy: -2.418
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: 1, replica: 6
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -183.106786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.106786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.106786 (E_RNA)
where:
Base-Base interactions energy: -116.249
where: short stacking energy: -48.922
Base-Backbone interact. energy: -0.002
local terms energy: -66.856159
where:
bonds (distance) C4'-P energy: -11.922
bonds (distance) P-C4' energy: -15.298
flat angles C4'-P-C4' energy: -12.683
flat angles P-C4'-P energy: -10.760
tors. eta vs tors. theta energy: -16.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -181.027710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.027710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.027710 (E_RNA)
where:
Base-Base interactions energy: -117.473
where: short stacking energy: -45.428
Base-Backbone interact. energy: -0.001
local terms energy: -63.553016
where:
bonds (distance) C4'-P energy: -11.239
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -13.205
flat angles P-C4'-P energy: -8.981
tors. eta vs tors. theta energy: -17.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -167.409348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.409348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.409348 (E_RNA)
where:
Base-Base interactions energy: -112.441
where: short stacking energy: -39.580
Base-Backbone interact. energy: -0.007
local terms energy: -54.961011
where:
bonds (distance) C4'-P energy: -9.919
bonds (distance) P-C4' energy: -11.027
flat angles C4'-P-C4' energy: -8.300
flat angles P-C4'-P energy: -7.721
tors. eta vs tors. theta energy: -17.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -116.411427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.411427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.411427 (E_RNA)
where:
Base-Base interactions energy: -68.401
where: short stacking energy: -28.550
Base-Backbone interact. energy: -0.076
local terms energy: -47.934537
where:
bonds (distance) C4'-P energy: -13.897
bonds (distance) P-C4' energy: -12.138
flat angles C4'-P-C4' energy: -7.574
flat angles P-C4'-P energy: -4.763
tors. eta vs tors. theta energy: -9.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -120.737060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.737060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.737060 (E_RNA)
where:
Base-Base interactions energy: -73.677
where: short stacking energy: -20.860
Base-Backbone interact. energy: -0.257
local terms energy: -46.803258
where:
bonds (distance) C4'-P energy: -8.448
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -8.226
flat angles P-C4'-P energy: -9.655
tors. eta vs tors. theta energy: -6.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -72.581579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.581579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.581579 (E_RNA)
where:
Base-Base interactions energy: -39.109
where: short stacking energy: -12.794
Base-Backbone interact. energy: 3.270
local terms energy: -36.742202
where:
bonds (distance) C4'-P energy: -13.690
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -4.639
flat angles P-C4'-P energy: -4.475
tors. eta vs tors. theta energy: 0.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -68.604555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.604555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.604555 (E_RNA)
where:
Base-Base interactions energy: -22.933
where: short stacking energy: -22.933
Base-Backbone interact. energy: -0.172
local terms energy: -45.499155
where:
bonds (distance) C4'-P energy: -7.545
bonds (distance) P-C4' energy: -12.882
flat angles C4'-P-C4' energy: -11.557
flat angles P-C4'-P energy: -9.205
tors. eta vs tors. theta energy: -4.310
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: 330
Temperature: 1.250000
Total energy: -62.248676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.248676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.248676 (E_RNA)
where:
Base-Base interactions energy: -17.269
where: short stacking energy: -9.496
Base-Backbone interact. energy: -0.034
local terms energy: -44.945854
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -12.338
flat angles C4'-P-C4' energy: -12.008
flat angles P-C4'-P energy: -6.322
tors. eta vs tors. theta energy: -0.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -64.968289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.968289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.968289 (E_RNA)
where:
Base-Base interactions energy: -22.375
where: short stacking energy: -17.720
Base-Backbone interact. energy: -0.110
local terms energy: -42.483275
where:
bonds (distance) C4'-P energy: -8.075
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -7.112
flat angles P-C4'-P energy: -7.047
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: 10, replica: 9
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -58.286659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.286659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.286659 (E_RNA)
where:
Base-Base interactions energy: -17.997
where: short stacking energy: -16.684
Base-Backbone interact. energy: -0.114
local terms energy: -40.176002
where:
bonds (distance) C4'-P energy: -11.044
bonds (distance) P-C4' energy: -13.205
flat angles C4'-P-C4' energy: -6.516
flat angles P-C4'-P energy: -8.193
tors. eta vs tors. theta energy: -1.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -179.744505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.744505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.744505 (E_RNA)
where:
Base-Base interactions energy: -118.659
where: short stacking energy: -45.167
Base-Backbone interact. energy: -0.135
local terms energy: -60.950736
where:
bonds (distance) C4'-P energy: -10.548
bonds (distance) P-C4' energy: -13.641
flat angles C4'-P-C4' energy: -10.499
flat angles P-C4'-P energy: -7.475
tors. eta vs tors. theta energy: -18.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -180.607017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.607017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.607017 (E_RNA)
where:
Base-Base interactions energy: -114.900
where: short stacking energy: -48.038
Base-Backbone interact. energy: -0.010
local terms energy: -65.696803
where:
bonds (distance) C4'-P energy: -12.858
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -14.442
flat angles P-C4'-P energy: -10.464
tors. eta vs tors. theta energy: -12.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -179.867059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.867059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.867059 (E_RNA)
where:
Base-Base interactions energy: -112.538
where: short stacking energy: -47.297
Base-Backbone interact. energy: -0.005
local terms energy: -67.323784
where:
bonds (distance) C4'-P energy: -12.874
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -12.117
flat angles P-C4'-P energy: -9.648
tors. eta vs tors. theta energy: -18.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -139.016605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.016605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.016605 (E_RNA)
where:
Base-Base interactions energy: -89.807
where: short stacking energy: -31.576
Base-Backbone interact. energy: -0.256
local terms energy: -48.953996
where:
bonds (distance) C4'-P energy: -8.220
bonds (distance) P-C4' energy: -12.889
flat angles C4'-P-C4' energy: -12.146
flat angles P-C4'-P energy: -6.372
tors. eta vs tors. theta energy: -9.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -81.881946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.881946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.881946 (E_RNA)
where:
Base-Base interactions energy: -39.354
where: short stacking energy: -21.135
Base-Backbone interact. energy: -0.103
local terms energy: -42.425237
where:
bonds (distance) C4'-P energy: -12.287
bonds (distance) P-C4' energy: -10.052
flat angles C4'-P-C4' energy: -10.660
flat angles P-C4'-P energy: -7.261
tors. eta vs tors. theta energy: -2.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -87.807021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.807021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.807021 (E_RNA)
where:
Base-Base interactions energy: -51.394
where: short stacking energy: -20.208
Base-Backbone interact. energy: -0.179
local terms energy: -36.234369
where:
bonds (distance) C4'-P energy: -6.471
bonds (distance) P-C4' energy: -12.073
flat angles C4'-P-C4' energy: -7.291
flat angles P-C4'-P energy: -6.342
tors. eta vs tors. theta energy: -4.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -87.864936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.864936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.864936 (E_RNA)
where:
Base-Base interactions energy: -42.124
where: short stacking energy: -15.720
Base-Backbone interact. energy: -0.563
local terms energy: -45.177675
where:
bonds (distance) C4'-P energy: -10.877
bonds (distance) P-C4' energy: -11.104
flat angles C4'-P-C4' energy: -10.321
flat angles P-C4'-P energy: -7.218
tors. eta vs tors. theta energy: -5.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -63.680029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.680029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.680029 (E_RNA)
where:
Base-Base interactions energy: -26.453
where: short stacking energy: -21.620
Base-Backbone interact. energy: -0.234
local terms energy: -36.993093
where:
bonds (distance) C4'-P energy: -10.928
bonds (distance) P-C4' energy: -11.193
flat angles C4'-P-C4' energy: -6.785
flat angles P-C4'-P energy: -8.076
tors. eta vs tors. theta energy: -0.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -59.133075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.133075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.133075 (E_RNA)
where:
Base-Base interactions energy: -15.227
where: short stacking energy: -13.850
Base-Backbone interact. energy: -0.168
local terms energy: -43.737259
where:
bonds (distance) C4'-P energy: -11.790
bonds (distance) P-C4' energy: -13.417
flat angles C4'-P-C4' energy: -13.533
flat angles P-C4'-P energy: -7.717
tors. eta vs tors. theta energy: 2.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -57.155823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.155823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.155823 (E_RNA)
where:
Base-Base interactions energy: -22.709
where: short stacking energy: -10.015
Base-Backbone interact. energy: 1.049
local terms energy: -35.495734
where:
bonds (distance) C4'-P energy: -10.332
bonds (distance) P-C4' energy: -11.855
flat angles C4'-P-C4' energy: -11.798
flat angles P-C4'-P energy: -3.892
tors. eta vs tors. theta energy: 2.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -181.911798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.911798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.911798 (E_RNA)
where:
Base-Base interactions energy: -119.333
where: short stacking energy: -46.859
Base-Backbone interact. energy: -0.015
local terms energy: -62.564203
where:
bonds (distance) C4'-P energy: -10.912
bonds (distance) P-C4' energy: -13.592
flat angles C4'-P-C4' energy: -11.051
flat angles P-C4'-P energy: -11.113
tors. eta vs tors. theta energy: -15.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -176.481921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.481921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.481921 (E_RNA)
where:
Base-Base interactions energy: -113.897
where: short stacking energy: -46.443
Base-Backbone interact. energy: -1.056
local terms energy: -61.528871
where:
bonds (distance) C4'-P energy: -13.305
bonds (distance) P-C4' energy: -11.989
flat angles C4'-P-C4' energy: -13.306
flat angles P-C4'-P energy: -7.477
tors. eta vs tors. theta energy: -15.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -175.188510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.188510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.188510 (E_RNA)
where:
Base-Base interactions energy: -113.295
where: short stacking energy: -48.822
Base-Backbone interact. energy: -0.017
local terms energy: -61.876863
where:
bonds (distance) C4'-P energy: -10.584
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -12.089
flat angles P-C4'-P energy: -8.386
tors. eta vs tors. theta energy: -15.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -150.385786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.385786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.385786 (E_RNA)
where:
Base-Base interactions energy: -96.426
where: short stacking energy: -37.754
Base-Backbone interact. energy: -0.001
local terms energy: -53.958906
where:
bonds (distance) C4'-P energy: -10.514
bonds (distance) P-C4' energy: -10.535
flat angles C4'-P-C4' energy: -12.785
flat angles P-C4'-P energy: -9.282
tors. eta vs tors. theta energy: -10.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -92.737043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.737043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.737043 (E_RNA)
where:
Base-Base interactions energy: -57.092
where: short stacking energy: -13.797
Base-Backbone interact. energy: -0.150
local terms energy: -35.495564
where:
bonds (distance) C4'-P energy: -13.450
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -7.139
flat angles P-C4'-P energy: -0.073
tors. eta vs tors. theta energy: -1.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -79.439722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.439722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.439722 (E_RNA)
where:
Base-Base interactions energy: -31.648
where: short stacking energy: -15.814
Base-Backbone interact. energy: -0.249
local terms energy: -47.542383
where:
bonds (distance) C4'-P energy: -12.489
bonds (distance) P-C4' energy: -10.354
flat angles C4'-P-C4' energy: -14.175
flat angles P-C4'-P energy: -9.186
tors. eta vs tors. theta energy: -1.338
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: 10
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -65.379494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.379494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.379494 (E_RNA)
where:
Base-Base interactions energy: -15.783
where: short stacking energy: -12.990
Base-Backbone interact. energy: -0.131
local terms energy: -49.465362
where:
bonds (distance) C4'-P energy: -12.662
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -12.297
flat angles P-C4'-P energy: -10.184
tors. eta vs tors. theta energy: -1.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -71.437238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.437238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.437238 (E_RNA)
where:
Base-Base interactions energy: -34.949
where: short stacking energy: -21.081
Base-Backbone interact. energy: -0.383
local terms energy: -36.105173
where:
bonds (distance) C4'-P energy: -11.623
bonds (distance) P-C4' energy: -9.991
flat angles C4'-P-C4' energy: -10.150
flat angles P-C4'-P energy: -3.975
tors. eta vs tors. theta energy: -0.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -58.292133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.292133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.292133 (E_RNA)
where:
Base-Base interactions energy: -24.091
where: short stacking energy: -13.892
Base-Backbone interact. energy: -0.201
local terms energy: -34.000508
where:
bonds (distance) C4'-P energy: -12.137
bonds (distance) P-C4' energy: -11.026
flat angles C4'-P-C4' energy: -7.872
flat angles P-C4'-P energy: -5.720
tors. eta vs tors. theta energy: 2.755
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: 8
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -65.261422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.261422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.261422 (E_RNA)
where:
Base-Base interactions energy: -18.516
where: short stacking energy: -18.424
Base-Backbone interact. energy: -0.030
local terms energy: -46.715407
where:
bonds (distance) C4'-P energy: -11.864
bonds (distance) P-C4' energy: -13.417
flat angles C4'-P-C4' energy: -12.251
flat angles P-C4'-P energy: -6.143
tors. eta vs tors. theta energy: -3.042
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: 3
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -187.487523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.487523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.487523 (E_RNA)
where:
Base-Base interactions energy: -125.398
where: short stacking energy: -53.042
Base-Backbone interact. energy: -0.000
local terms energy: -62.089452
where:
bonds (distance) C4'-P energy: -11.753
bonds (distance) P-C4' energy: -14.523
flat angles C4'-P-C4' energy: -13.466
flat angles P-C4'-P energy: -7.139
tors. eta vs tors. theta energy: -15.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -176.542980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.542980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.542980 (E_RNA)
where:
Base-Base interactions energy: -110.456
where: short stacking energy: -39.639
Base-Backbone interact. energy: -0.008
local terms energy: -66.079568
where:
bonds (distance) C4'-P energy: -11.661
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -14.027
flat angles P-C4'-P energy: -8.963
tors. eta vs tors. theta energy: -16.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -174.771287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.771287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.771287 (E_RNA)
where:
Base-Base interactions energy: -112.601
where: short stacking energy: -47.080
Base-Backbone interact. energy: -0.006
local terms energy: -62.163678
where:
bonds (distance) C4'-P energy: -13.594
bonds (distance) P-C4' energy: -11.299
flat angles C4'-P-C4' energy: -11.951
flat angles P-C4'-P energy: -9.271
tors. eta vs tors. theta energy: -16.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -168.788210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.788210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.788210 (E_RNA)
where:
Base-Base interactions energy: -104.233
where: short stacking energy: -42.475
Base-Backbone interact. energy: -0.008
local terms energy: -64.547708
where:
bonds (distance) C4'-P energy: -12.299
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -15.017
flat angles P-C4'-P energy: -7.222
tors. eta vs tors. theta energy: -16.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -78.329381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.329381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.329381 (E_RNA)
where:
Base-Base interactions energy: -43.174
where: short stacking energy: -26.414
Base-Backbone interact. energy: -0.076
local terms energy: -35.079736
where:
bonds (distance) C4'-P energy: -5.911
bonds (distance) P-C4' energy: -9.708
flat angles C4'-P-C4' energy: -6.775
flat angles P-C4'-P energy: -9.861
tors. eta vs tors. theta energy: -2.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -90.431476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.431476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.431476 (E_RNA)
where:
Base-Base interactions energy: -42.307
where: short stacking energy: -27.632
Base-Backbone interact. energy: -0.034
local terms energy: -48.090362
where:
bonds (distance) C4'-P energy: -9.180
bonds (distance) P-C4' energy: -10.441
flat angles C4'-P-C4' energy: -12.740
flat angles P-C4'-P energy: -5.730
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: 10
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -66.018407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.018407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.018407 (E_RNA)
where:
Base-Base interactions energy: -24.774
where: short stacking energy: -13.118
Base-Backbone interact. energy: -0.007
local terms energy: -41.237115
where:
bonds (distance) C4'-P energy: -10.494
bonds (distance) P-C4' energy: -14.389
flat angles C4'-P-C4' energy: -8.488
flat angles P-C4'-P energy: -8.494
tors. eta vs tors. theta energy: 0.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -112.643440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.643440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.643440 (E_RNA)
where:
Base-Base interactions energy: -63.551
where: short stacking energy: -26.019
Base-Backbone interact. energy: -1.804
local terms energy: -47.288910
where:
bonds (distance) C4'-P energy: -13.976
bonds (distance) P-C4' energy: -8.625
flat angles C4'-P-C4' energy: -9.063
flat angles P-C4'-P energy: -9.082
tors. eta vs tors. theta energy: -6.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -78.785293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.785293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.785293 (E_RNA)
where:
Base-Base interactions energy: -37.543
where: short stacking energy: -16.945
Base-Backbone interact. energy: -0.085
local terms energy: -41.156827
where:
bonds (distance) C4'-P energy: -12.320
bonds (distance) P-C4' energy: -12.107
flat angles C4'-P-C4' energy: -11.985
flat angles P-C4'-P energy: -5.478
tors. eta vs tors. theta energy: 0.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -59.170860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.170860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.170860 (E_RNA)
where:
Base-Base interactions energy: -19.771
where: short stacking energy: -19.771
Base-Backbone interact. energy: -0.040
local terms energy: -39.359852
where:
bonds (distance) C4'-P energy: -6.731
bonds (distance) P-C4' energy: -12.952
flat angles C4'-P-C4' energy: -9.566
flat angles P-C4'-P energy: -7.039
tors. eta vs tors. theta energy: -3.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -180.992804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.992804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.992804 (E_RNA)
where:
Base-Base interactions energy: -117.613
where: short stacking energy: -44.492
Base-Backbone interact. energy: -0.229
local terms energy: -63.150129
where:
bonds (distance) C4'-P energy: -13.185
bonds (distance) P-C4' energy: -13.851
flat angles C4'-P-C4' energy: -13.160
flat angles P-C4'-P energy: -8.010
tors. eta vs tors. theta energy: -14.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -179.346118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.346118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.346118 (E_RNA)
where:
Base-Base interactions energy: -117.633
where: short stacking energy: -47.818
Base-Backbone interact. energy: -0.001
local terms energy: -61.712309
where:
bonds (distance) C4'-P energy: -12.294
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -13.360
flat angles P-C4'-P energy: -7.158
tors. eta vs tors. theta energy: -14.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -174.264547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.264547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.264547 (E_RNA)
where:
Base-Base interactions energy: -114.503
where: short stacking energy: -44.588
Base-Backbone interact. energy: -0.151
local terms energy: -59.610417
where:
bonds (distance) C4'-P energy: -12.779
bonds (distance) P-C4' energy: -12.306
flat angles C4'-P-C4' energy: -8.888
flat angles P-C4'-P energy: -8.871
tors. eta vs tors. theta energy: -16.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -170.703011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.703011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.703011 (E_RNA)
where:
Base-Base interactions energy: -111.138
where: short stacking energy: -39.082
Base-Backbone interact. energy: -0.075
local terms energy: -59.490093
where:
bonds (distance) C4'-P energy: -8.925
bonds (distance) P-C4' energy: -12.659
flat angles C4'-P-C4' energy: -13.632
flat angles P-C4'-P energy: -10.045
tors. eta vs tors. theta energy: -14.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -70.896705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.896705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.896705 (E_RNA)
where:
Base-Base interactions energy: -34.245
where: short stacking energy: -20.534
Base-Backbone interact. energy: -0.269
local terms energy: -36.382519
where:
bonds (distance) C4'-P energy: -10.091
bonds (distance) P-C4' energy: -13.671
flat angles C4'-P-C4' energy: -7.059
flat angles P-C4'-P energy: -3.951
tors. eta vs tors. theta energy: -1.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -71.777859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.777859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.777859 (E_RNA)
where:
Base-Base interactions energy: -28.022
where: short stacking energy: -18.963
Base-Backbone interact. energy: 0.252
local terms energy: -44.007415
where:
bonds (distance) C4'-P energy: -9.044
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -10.273
flat angles P-C4'-P energy: -7.241
tors. eta vs tors. theta energy: -2.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -79.833468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.833468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.833468 (E_RNA)
where:
Base-Base interactions energy: -40.974
where: short stacking energy: -15.978
Base-Backbone interact. energy: -0.212
local terms energy: -38.646867
where:
bonds (distance) C4'-P energy: -10.902
bonds (distance) P-C4' energy: -9.389
flat angles C4'-P-C4' energy: -10.547
flat angles P-C4'-P energy: -5.801
tors. eta vs tors. theta energy: -2.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -66.590662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.590662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.590662 (E_RNA)
where:
Base-Base interactions energy: -34.692
where: short stacking energy: -16.910
Base-Backbone interact. energy: -0.063
local terms energy: -31.835491
where:
bonds (distance) C4'-P energy: -9.884
bonds (distance) P-C4' energy: -11.455
flat angles C4'-P-C4' energy: -10.821
flat angles P-C4'-P energy: -0.861
tors. eta vs tors. theta energy: 1.185
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: 8
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -68.882997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.882997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.882997 (E_RNA)
where:
Base-Base interactions energy: -32.408
where: short stacking energy: -16.909
Base-Backbone interact. energy: -0.540
local terms energy: -35.934939
where:
bonds (distance) C4'-P energy: -13.868
bonds (distance) P-C4' energy: -10.446
flat angles C4'-P-C4' energy: -10.096
flat angles P-C4'-P energy: -3.758
tors. eta vs tors. theta energy: 2.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -62.618986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.618986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.618986 (E_RNA)
where:
Base-Base interactions energy: -34.243
where: short stacking energy: -23.113
Base-Backbone interact. energy: -0.020
local terms energy: -28.355765
where:
bonds (distance) C4'-P energy: -7.322
bonds (distance) P-C4' energy: -5.907
flat angles C4'-P-C4' energy: -11.886
flat angles P-C4'-P energy: -1.591
tors. eta vs tors. theta energy: -1.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -182.079522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.079522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.079522 (E_RNA)
where:
Base-Base interactions energy: -117.414
where: short stacking energy: -47.660
Base-Backbone interact. energy: -0.007
local terms energy: -64.659286
where:
bonds (distance) C4'-P energy: -9.785
bonds (distance) P-C4' energy: -12.566
flat angles C4'-P-C4' energy: -13.653
flat angles P-C4'-P energy: -11.278
tors. eta vs tors. theta energy: -17.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -180.524337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.524337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.524337 (E_RNA)
where:
Base-Base interactions energy: -113.685
where: short stacking energy: -47.343
Base-Backbone interact. energy: -0.024
local terms energy: -66.814742
where:
bonds (distance) C4'-P energy: -13.860
bonds (distance) P-C4' energy: -13.733
flat angles C4'-P-C4' energy: -14.021
flat angles P-C4'-P energy: -8.972
tors. eta vs tors. theta energy: -16.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -178.622623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.622623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.622623 (E_RNA)
where:
Base-Base interactions energy: -114.013
where: short stacking energy: -37.028
Base-Backbone interact. energy: -0.527
local terms energy: -64.082485
where:
bonds (distance) C4'-P energy: -12.224
bonds (distance) P-C4' energy: -14.756
flat angles C4'-P-C4' energy: -12.207
flat angles P-C4'-P energy: -10.076
tors. eta vs tors. theta energy: -14.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -170.810966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.810966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.810966 (E_RNA)
where:
Base-Base interactions energy: -108.528
where: short stacking energy: -43.189
Base-Backbone interact. energy: -0.607
local terms energy: -61.675284
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -10.074
flat angles C4'-P-C4' energy: -12.844
flat angles P-C4'-P energy: -11.221
tors. eta vs tors. theta energy: -14.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -83.893462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.893462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.893462 (E_RNA)
where:
Base-Base interactions energy: -29.544
where: short stacking energy: -25.275
Base-Backbone interact. energy: -0.478
local terms energy: -53.871205
where:
bonds (distance) C4'-P energy: -13.052
bonds (distance) P-C4' energy: -12.061
flat angles C4'-P-C4' energy: -12.262
flat angles P-C4'-P energy: -9.940
tors. eta vs tors. theta energy: -6.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -70.414534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.414534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.414534 (E_RNA)
where:
Base-Base interactions energy: -32.914
where: short stacking energy: -15.161
Base-Backbone interact. energy: -0.031
local terms energy: -37.469026
where:
bonds (distance) C4'-P energy: -12.021
bonds (distance) P-C4' energy: -12.781
flat angles C4'-P-C4' energy: -8.705
flat angles P-C4'-P energy: -6.807
tors. eta vs tors. theta energy: 2.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -66.178458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.178458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.178458 (E_RNA)
where:
Base-Base interactions energy: -33.645
where: short stacking energy: -17.247
Base-Backbone interact. energy: -0.150
local terms energy: -32.383632
where:
bonds (distance) C4'-P energy: -12.216
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -6.081
flat angles P-C4'-P energy: -7.053
tors. eta vs tors. theta energy: 6.020
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: 335
Temperature: 1.250000
Total energy: -76.205397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.205397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.205397 (E_RNA)
where:
Base-Base interactions energy: -37.465
where: short stacking energy: -11.803
Base-Backbone interact. energy: 0.473
local terms energy: -39.212869
where:
bonds (distance) C4'-P energy: -12.200
bonds (distance) P-C4' energy: -11.119
flat angles C4'-P-C4' energy: -11.736
flat angles P-C4'-P energy: -4.331
tors. eta vs tors. theta energy: 0.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -64.576041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.576041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.576041 (E_RNA)
where:
Base-Base interactions energy: -25.019
where: short stacking energy: -11.588
Base-Backbone interact. energy: -0.134
local terms energy: -39.423638
where:
bonds (distance) C4'-P energy: -11.499
bonds (distance) P-C4' energy: -13.777
flat angles C4'-P-C4' energy: -7.874
flat angles P-C4'-P energy: -9.252
tors. eta vs tors. theta energy: 2.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -66.552325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.552325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.552325 (E_RNA)
where:
Base-Base interactions energy: -23.013
where: short stacking energy: -18.601
Base-Backbone interact. energy: -0.081
local terms energy: -43.458564
where:
bonds (distance) C4'-P energy: -9.512
bonds (distance) P-C4' energy: -13.212
flat angles C4'-P-C4' energy: -10.629
flat angles P-C4'-P energy: -5.531
tors. eta vs tors. theta energy: -4.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -184.899825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.899825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.899825 (E_RNA)
where:
Base-Base interactions energy: -130.025
where: short stacking energy: -31.736
Base-Backbone interact. energy: -0.201
local terms energy: -54.674630
where:
bonds (distance) C4'-P energy: -10.964
bonds (distance) P-C4' energy: -13.070
flat angles C4'-P-C4' energy: -13.043
flat angles P-C4'-P energy: -4.948
tors. eta vs tors. theta energy: -12.650
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: 2, replica: 1
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -174.029131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.029131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.029131 (E_RNA)
where:
Base-Base interactions energy: -112.647
where: short stacking energy: -44.942
Base-Backbone interact. energy: -0.049
local terms energy: -61.332957
where:
bonds (distance) C4'-P energy: -12.377
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -13.833
flat angles P-C4'-P energy: -6.231
tors. eta vs tors. theta energy: -14.451
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: 3, replica: 2
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -168.803028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.803028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.803028 (E_RNA)
where:
Base-Base interactions energy: -111.367
where: short stacking energy: -38.812
Base-Backbone interact. energy: -0.098
local terms energy: -57.337208
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -12.929
flat angles C4'-P-C4' energy: -10.111
flat angles P-C4'-P energy: -7.466
tors. eta vs tors. theta energy: -11.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -177.690607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.690607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.690607 (E_RNA)
where:
Base-Base interactions energy: -120.138
where: short stacking energy: -49.343
Base-Backbone interact. energy: 0.054
local terms energy: -57.606621
where:
bonds (distance) C4'-P energy: -9.446
bonds (distance) P-C4' energy: -12.390
flat angles C4'-P-C4' energy: -9.844
flat angles P-C4'-P energy: -9.842
tors. eta vs tors. theta energy: -16.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -101.289279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.289279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.289279 (E_RNA)
where:
Base-Base interactions energy: -57.394
where: short stacking energy: -24.815
Base-Backbone interact. energy: -0.303
local terms energy: -43.591552
where:
bonds (distance) C4'-P energy: -10.406
bonds (distance) P-C4' energy: -9.777
flat angles C4'-P-C4' energy: -9.132
flat angles P-C4'-P energy: -7.075
tors. eta vs tors. theta energy: -7.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -83.857998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.857998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.857998 (E_RNA)
where:
Base-Base interactions energy: -35.388
where: short stacking energy: -29.485
Base-Backbone interact. energy: -0.061
local terms energy: -48.409406
where:
bonds (distance) C4'-P energy: -13.879
bonds (distance) P-C4' energy: -11.543
flat angles C4'-P-C4' energy: -13.769
flat angles P-C4'-P energy: -3.013
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: 7, replica: 8
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -88.910520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.910520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.910520 (E_RNA)
where:
Base-Base interactions energy: -48.491
where: short stacking energy: -22.776
Base-Backbone interact. energy: -0.108
local terms energy: -40.311432
where:
bonds (distance) C4'-P energy: -10.440
bonds (distance) P-C4' energy: -11.669
flat angles C4'-P-C4' energy: -9.279
flat angles P-C4'-P energy: -5.559
tors. eta vs tors. theta energy: -3.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -58.690327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.690327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.690327 (E_RNA)
where:
Base-Base interactions energy: -12.336
where: short stacking energy: -5.946
Base-Backbone interact. energy: -0.742
local terms energy: -45.611623
where:
bonds (distance) C4'-P energy: -11.342
bonds (distance) P-C4' energy: -11.071
flat angles C4'-P-C4' energy: -12.530
flat angles P-C4'-P energy: -8.220
tors. eta vs tors. theta energy: -2.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -68.451950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.451950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.451950 (E_RNA)
where:
Base-Base interactions energy: -22.183
where: short stacking energy: -19.051
Base-Backbone interact. energy: -0.225
local terms energy: -46.044027
where:
bonds (distance) C4'-P energy: -9.190
bonds (distance) P-C4' energy: -14.106
flat angles C4'-P-C4' energy: -9.830
flat angles P-C4'-P energy: -9.090
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: 10, replica: 10
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -51.394246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.394246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.394246 (E_RNA)
where:
Base-Base interactions energy: -23.019
where: short stacking energy: -23.019
Base-Backbone interact. energy: -0.100
local terms energy: -28.275098
where:
bonds (distance) C4'-P energy: -9.646
bonds (distance) P-C4' energy: -10.030
flat angles C4'-P-C4' energy: -2.683
flat angles P-C4'-P energy: -2.980
tors. eta vs tors. theta energy: -2.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -191.928310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.928310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.928310 (E_RNA)
where:
Base-Base interactions energy: -130.905
where: short stacking energy: -34.057
Base-Backbone interact. energy: -0.555
local terms energy: -60.468550
where:
bonds (distance) C4'-P energy: -12.779
bonds (distance) P-C4' energy: -13.595
flat angles C4'-P-C4' energy: -13.482
flat angles P-C4'-P energy: -6.613
tors. eta vs tors. theta energy: -13.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -171.494599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.494599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.494599 (E_RNA)
where:
Base-Base interactions energy: -109.262
where: short stacking energy: -45.603
Base-Backbone interact. energy: -0.097
local terms energy: -62.135466
where:
bonds (distance) C4'-P energy: -10.263
bonds (distance) P-C4' energy: -13.307
flat angles C4'-P-C4' energy: -13.661
flat angles P-C4'-P energy: -9.843
tors. eta vs tors. theta energy: -15.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -174.806511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.806511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.806511 (E_RNA)
where:
Base-Base interactions energy: -113.856
where: short stacking energy: -44.804
Base-Backbone interact. energy: -0.084
local terms energy: -60.866553
where:
bonds (distance) C4'-P energy: -11.161
bonds (distance) P-C4' energy: -12.853
flat angles C4'-P-C4' energy: -12.378
flat angles P-C4'-P energy: -9.990
tors. eta vs tors. theta energy: -14.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -171.227339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.227339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.227339 (E_RNA)
where:
Base-Base interactions energy: -118.002
where: short stacking energy: -44.759
Base-Backbone interact. energy: -0.087
local terms energy: -53.138754
where:
bonds (distance) C4'-P energy: -4.650
bonds (distance) P-C4' energy: -14.036
flat angles C4'-P-C4' energy: -13.558
flat angles P-C4'-P energy: -5.822
tors. eta vs tors. theta energy: -15.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -77.351429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.351429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.351429 (E_RNA)
where:
Base-Base interactions energy: -37.346
where: short stacking energy: -18.282
Base-Backbone interact. energy: -0.319
local terms energy: -39.686187
where:
bonds (distance) C4'-P energy: -13.818
bonds (distance) P-C4' energy: -6.838
flat angles C4'-P-C4' energy: -10.389
flat angles P-C4'-P energy: -10.258
tors. eta vs tors. theta energy: 1.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -77.892300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.892300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.892300 (E_RNA)
where:
Base-Base interactions energy: -31.834
where: short stacking energy: -22.780
Base-Backbone interact. energy: 1.273
local terms energy: -47.331037
where:
bonds (distance) C4'-P energy: -8.017
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -13.263
flat angles P-C4'-P energy: -8.310
tors. eta vs tors. theta energy: -4.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -77.227138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.227138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.227138 (E_RNA)
where:
Base-Base interactions energy: -33.525
where: short stacking energy: -24.005
Base-Backbone interact. energy: -1.107
local terms energy: -42.595411
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -9.885
flat angles C4'-P-C4' energy: -13.011
flat angles P-C4'-P energy: -5.617
tors. eta vs tors. theta energy: -0.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -68.487802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.487802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.487802 (E_RNA)
where:
Base-Base interactions energy: -24.982
where: short stacking energy: -13.158
Base-Backbone interact. energy: -0.018
local terms energy: -43.487600
where:
bonds (distance) C4'-P energy: -9.305
bonds (distance) P-C4' energy: -11.708
flat angles C4'-P-C4' energy: -9.946
flat angles P-C4'-P energy: -8.336
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: 9, replica: 4
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -64.985525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.985525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.985525 (E_RNA)
where:
Base-Base interactions energy: -30.031
where: short stacking energy: -30.396
Base-Backbone interact. energy: -0.417
local terms energy: -34.538193
where:
bonds (distance) C4'-P energy: -11.408
bonds (distance) P-C4' energy: -12.401
flat angles C4'-P-C4' energy: -7.925
flat angles P-C4'-P energy: -1.014
tors. eta vs tors. theta energy: -1.789
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: 10, replica: 10
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -56.777206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.777206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.777206 (E_RNA)
where:
Base-Base interactions energy: -25.018
where: short stacking energy: -8.047
Base-Backbone interact. energy: -1.316
local terms energy: -30.442738
where:
bonds (distance) C4'-P energy: -6.209
bonds (distance) P-C4' energy: -13.378
flat angles C4'-P-C4' energy: -8.358
flat angles P-C4'-P energy: -6.998
tors. eta vs tors. theta energy: 4.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -179.563442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.563442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.563442 (E_RNA)
where:
Base-Base interactions energy: -121.518
where: short stacking energy: -39.737
Base-Backbone interact. energy: -0.156
local terms energy: -57.889403
where:
bonds (distance) C4'-P energy: -13.620
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -13.463
flat angles P-C4'-P energy: -9.858
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: 2, replica: 1
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -176.561429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.561429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.561429 (E_RNA)
where:
Base-Base interactions energy: -118.721
where: short stacking energy: -39.450
Base-Backbone interact. energy: -0.060
local terms energy: -57.780580
where:
bonds (distance) C4'-P energy: -11.123
bonds (distance) P-C4' energy: -13.908
flat angles C4'-P-C4' energy: -14.846
flat angles P-C4'-P energy: -5.718
tors. eta vs tors. theta energy: -12.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -171.238497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.238497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.238497 (E_RNA)
where:
Base-Base interactions energy: -109.540
where: short stacking energy: -48.146
Base-Backbone interact. energy: -0.004
local terms energy: -61.694677
where:
bonds (distance) C4'-P energy: -9.436
bonds (distance) P-C4' energy: -12.927
flat angles C4'-P-C4' energy: -12.858
flat angles P-C4'-P energy: -9.751
tors. eta vs tors. theta energy: -16.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -171.324167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.324167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.324167 (E_RNA)
where:
Base-Base interactions energy: -114.243
where: short stacking energy: -45.308
Base-Backbone interact. energy: -0.109
local terms energy: -56.972424
where:
bonds (distance) C4'-P energy: -10.754
bonds (distance) P-C4' energy: -12.029
flat angles C4'-P-C4' energy: -13.051
flat angles P-C4'-P energy: -9.846
tors. eta vs tors. theta energy: -11.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -101.792550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.792550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.792550 (E_RNA)
where:
Base-Base interactions energy: -54.369
where: short stacking energy: -26.602
Base-Backbone interact. energy: -0.040
local terms energy: -47.383228
where:
bonds (distance) C4'-P energy: -10.962
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -4.988
flat angles P-C4'-P energy: -10.063
tors. eta vs tors. theta energy: -6.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -94.895428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.895428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.895428 (E_RNA)
where:
Base-Base interactions energy: -50.190
where: short stacking energy: -11.472
Base-Backbone interact. energy: -0.700
local terms energy: -44.005591
where:
bonds (distance) C4'-P energy: -11.499
bonds (distance) P-C4' energy: -12.174
flat angles C4'-P-C4' energy: -11.307
flat angles P-C4'-P energy: -8.523
tors. eta vs tors. theta energy: -0.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -67.093995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.093995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.093995 (E_RNA)
where:
Base-Base interactions energy: -29.612
where: short stacking energy: -12.699
Base-Backbone interact. energy: -0.151
local terms energy: -37.331180
where:
bonds (distance) C4'-P energy: -9.194
bonds (distance) P-C4' energy: -13.867
flat angles C4'-P-C4' energy: -7.352
flat angles P-C4'-P energy: -5.867
tors. eta vs tors. theta energy: -1.052
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: 5
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -72.363621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.363621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.363621 (E_RNA)
where:
Base-Base interactions energy: -22.530
where: short stacking energy: -22.530
Base-Backbone interact. energy: -0.016
local terms energy: -49.817385
where:
bonds (distance) C4'-P energy: -11.350
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -10.160
flat angles P-C4'-P energy: -11.070
tors. eta vs tors. theta energy: -3.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -61.747712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.747712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.747712 (E_RNA)
where:
Base-Base interactions energy: -19.611
where: short stacking energy: -18.528
Base-Backbone interact. energy: -0.153
local terms energy: -41.983421
where:
bonds (distance) C4'-P energy: -12.398
bonds (distance) P-C4' energy: -9.865
flat angles C4'-P-C4' energy: -8.072
flat angles P-C4'-P energy: -8.280
tors. eta vs tors. theta energy: -3.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -59.216397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.216397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.216397 (E_RNA)
where:
Base-Base interactions energy: -25.254
where: short stacking energy: -14.424
Base-Backbone interact. energy: -0.143
local terms energy: -33.819015
where:
bonds (distance) C4'-P energy: -9.616
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -10.990
flat angles P-C4'-P energy: -2.136
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: 3
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -181.263898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.263898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.263898 (E_RNA)
where:
Base-Base interactions energy: -120.829
where: short stacking energy: -44.977
Base-Backbone interact. energy: -0.343
local terms energy: -60.091718
where:
bonds (distance) C4'-P energy: -13.727
bonds (distance) P-C4' energy: -11.582
flat angles C4'-P-C4' energy: -13.244
flat angles P-C4'-P energy: -9.156
tors. eta vs tors. theta energy: -12.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -176.106044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.106044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.106044 (E_RNA)
where:
Base-Base interactions energy: -117.525
where: short stacking energy: -50.492
Base-Backbone interact. energy: -0.242
local terms energy: -58.339768
where:
bonds (distance) C4'-P energy: -9.218
bonds (distance) P-C4' energy: -9.942
flat angles C4'-P-C4' energy: -13.021
flat angles P-C4'-P energy: -7.348
tors. eta vs tors. theta energy: -18.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -178.717702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.717702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.717702 (E_RNA)
where:
Base-Base interactions energy: -117.269
where: short stacking energy: -48.787
Base-Backbone interact. energy: -0.001
local terms energy: -61.447654
where:
bonds (distance) C4'-P energy: -11.492
bonds (distance) P-C4' energy: -12.885
flat angles C4'-P-C4' energy: -10.300
flat angles P-C4'-P energy: -9.005
tors. eta vs tors. theta energy: -17.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -172.675033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.675033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.675033 (E_RNA)
where:
Base-Base interactions energy: -117.974
where: short stacking energy: -45.448
Base-Backbone interact. energy: -0.175
local terms energy: -54.526688
where:
bonds (distance) C4'-P energy: -9.143
bonds (distance) P-C4' energy: -9.889
flat angles C4'-P-C4' energy: -12.664
flat angles P-C4'-P energy: -7.854
tors. eta vs tors. theta energy: -14.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -104.352468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.352468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.352468 (E_RNA)
where:
Base-Base interactions energy: -59.322
where: short stacking energy: -22.910
Base-Backbone interact. energy: -0.136
local terms energy: -44.893714
where:
bonds (distance) C4'-P energy: -14.021
bonds (distance) P-C4' energy: -12.864
flat angles C4'-P-C4' energy: -9.337
flat angles P-C4'-P energy: -7.434
tors. eta vs tors. theta energy: -1.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -88.882129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.882129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.882129 (E_RNA)
where:
Base-Base interactions energy: -39.947
where: short stacking energy: -30.461
Base-Backbone interact. energy: 1.064
local terms energy: -49.998878
where:
bonds (distance) C4'-P energy: -11.322
bonds (distance) P-C4' energy: -14.607
flat angles C4'-P-C4' energy: -11.154
flat angles P-C4'-P energy: -8.420
tors. eta vs tors. theta energy: -4.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -62.706297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.706297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.706297 (E_RNA)
where:
Base-Base interactions energy: -23.072
where: short stacking energy: -13.795
Base-Backbone interact. energy: -0.055
local terms energy: -39.580126
where:
bonds (distance) C4'-P energy: -4.913
bonds (distance) P-C4' energy: -8.960
flat angles C4'-P-C4' energy: -11.829
flat angles P-C4'-P energy: -10.644
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: 8, replica: 10
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -64.378031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.378031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.378031 (E_RNA)
where:
Base-Base interactions energy: -30.635
where: short stacking energy: -14.293
Base-Backbone interact. energy: -0.264
local terms energy: -33.479827
where:
bonds (distance) C4'-P energy: -11.243
bonds (distance) P-C4' energy: -11.545
flat angles C4'-P-C4' energy: -6.801
flat angles P-C4'-P energy: -4.275
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: 9, replica: 5
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -63.192241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.192241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.192241 (E_RNA)
where:
Base-Base interactions energy: -26.617
where: short stacking energy: -23.609
Base-Backbone interact. energy: -0.024
local terms energy: -36.551980
where:
bonds (distance) C4'-P energy: -12.021
bonds (distance) P-C4' energy: -13.050
flat angles C4'-P-C4' energy: -6.363
flat angles P-C4'-P energy: -5.113
tors. eta vs tors. theta energy: -0.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -58.767811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.767811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.767811 (E_RNA)
where:
Base-Base interactions energy: -21.128
where: short stacking energy: -18.822
Base-Backbone interact. energy: -0.747
local terms energy: -36.892787
where:
bonds (distance) C4'-P energy: -9.903
bonds (distance) P-C4' energy: -12.448
flat angles C4'-P-C4' energy: -9.336
flat angles P-C4'-P energy: -4.454
tors. eta vs tors. theta energy: -0.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -178.035906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.035906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.035906 (E_RNA)
where:
Base-Base interactions energy: -120.481
where: short stacking energy: -46.703
Base-Backbone interact. energy: -0.011
local terms energy: -57.544093
where:
bonds (distance) C4'-P energy: -11.860
bonds (distance) P-C4' energy: -12.584
flat angles C4'-P-C4' energy: -9.966
flat angles P-C4'-P energy: -6.739
tors. eta vs tors. theta energy: -16.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -174.752267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.752267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.752267 (E_RNA)
where:
Base-Base interactions energy: -120.455
where: short stacking energy: -37.264
Base-Backbone interact. energy: -0.071
local terms energy: -54.225817
where:
bonds (distance) C4'-P energy: -11.571
bonds (distance) P-C4' energy: -9.500
flat angles C4'-P-C4' energy: -11.529
flat angles P-C4'-P energy: -8.199
tors. eta vs tors. theta energy: -13.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -166.983766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.983766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.983766 (E_RNA)
where:
Base-Base interactions energy: -109.915
where: short stacking energy: -45.676
Base-Backbone interact. energy: -0.413
local terms energy: -56.655938
where:
bonds (distance) C4'-P energy: -8.999
bonds (distance) P-C4' energy: -13.281
flat angles C4'-P-C4' energy: -11.636
flat angles P-C4'-P energy: -9.754
tors. eta vs tors. theta energy: -12.985
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: 6
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -169.476110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.476110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.476110 (E_RNA)
where:
Base-Base interactions energy: -107.255
where: short stacking energy: -47.222
Base-Backbone interact. energy: -0.000
local terms energy: -62.221207
where:
bonds (distance) C4'-P energy: -9.169
bonds (distance) P-C4' energy: -11.788
flat angles C4'-P-C4' energy: -13.009
flat angles P-C4'-P energy: -11.745
tors. eta vs tors. theta energy: -16.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -93.500481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.500481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.500481 (E_RNA)
where:
Base-Base interactions energy: -55.149
where: short stacking energy: -22.562
Base-Backbone interact. energy: -0.094
local terms energy: -38.257188
where:
bonds (distance) C4'-P energy: -10.664
bonds (distance) P-C4' energy: -15.108
flat angles C4'-P-C4' energy: -4.726
flat angles P-C4'-P energy: -8.908
tors. eta vs tors. theta energy: 1.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -88.775101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.775101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.775101 (E_RNA)
where:
Base-Base interactions energy: -54.938
where: short stacking energy: -19.836
Base-Backbone interact. energy: -0.265
local terms energy: -33.572689
where:
bonds (distance) C4'-P energy: -7.124
bonds (distance) P-C4' energy: -11.934
flat angles C4'-P-C4' energy: -5.030
flat angles P-C4'-P energy: -6.259
tors. eta vs tors. theta energy: -3.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -72.782752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.782752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.782752 (E_RNA)
where:
Base-Base interactions energy: -27.649
where: short stacking energy: -25.833
Base-Backbone interact. energy: -0.157
local terms energy: -44.976437
where:
bonds (distance) C4'-P energy: -12.398
bonds (distance) P-C4' energy: -10.067
flat angles C4'-P-C4' energy: -7.698
flat angles P-C4'-P energy: -11.329
tors. eta vs tors. theta energy: -3.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -75.791119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.791119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.791119 (E_RNA)
where:
Base-Base interactions energy: -39.653
where: short stacking energy: -20.876
Base-Backbone interact. energy: -0.136
local terms energy: -36.002214
where:
bonds (distance) C4'-P energy: -7.353
bonds (distance) P-C4' energy: -12.370
flat angles C4'-P-C4' energy: -11.223
flat angles P-C4'-P energy: -3.280
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: 9, replica: 4
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -60.997216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.997216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.997216 (E_RNA)
where:
Base-Base interactions energy: -24.502
where: short stacking energy: -8.286
Base-Backbone interact. energy: -0.077
local terms energy: -36.418003
where:
bonds (distance) C4'-P energy: -10.708
bonds (distance) P-C4' energy: -11.596
flat angles C4'-P-C4' energy: -9.632
flat angles P-C4'-P energy: -8.457
tors. eta vs tors. theta energy: 3.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -56.596454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.596454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.596454 (E_RNA)
where:
Base-Base interactions energy: -16.952
where: short stacking energy: -16.952
Base-Backbone interact. energy: -0.101
local terms energy: -39.543689
where:
bonds (distance) C4'-P energy: -12.849
bonds (distance) P-C4' energy: -11.377
flat angles C4'-P-C4' energy: -8.572
flat angles P-C4'-P energy: -9.141
tors. eta vs tors. theta energy: 2.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -183.578124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.578124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.578124 (E_RNA)
where:
Base-Base interactions energy: -119.562
where: short stacking energy: -50.956
Base-Backbone interact. energy: -0.003
local terms energy: -64.012741
where:
bonds (distance) C4'-P energy: -12.456
bonds (distance) P-C4' energy: -14.205
flat angles C4'-P-C4' energy: -14.145
flat angles P-C4'-P energy: -6.784
tors. eta vs tors. theta energy: -16.422
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: 1
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -178.438849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.438849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.438849 (E_RNA)
where:
Base-Base interactions energy: -117.547
where: short stacking energy: -45.514
Base-Backbone interact. energy: 0.180
local terms energy: -61.072308
where:
bonds (distance) C4'-P energy: -10.150
bonds (distance) P-C4' energy: -13.307
flat angles C4'-P-C4' energy: -11.257
flat angles P-C4'-P energy: -11.170
tors. eta vs tors. theta energy: -15.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -173.988295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.988295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.988295 (E_RNA)
where:
Base-Base interactions energy: -119.816
where: short stacking energy: -47.419
Base-Backbone interact. energy: -0.033
local terms energy: -54.139099
where:
bonds (distance) C4'-P energy: -11.674
bonds (distance) P-C4' energy: -8.006
flat angles C4'-P-C4' energy: -12.542
flat angles P-C4'-P energy: -6.135
tors. eta vs tors. theta energy: -15.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -172.218152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.218152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.218152 (E_RNA)
where:
Base-Base interactions energy: -116.167
where: short stacking energy: -47.363
Base-Backbone interact. energy: -0.252
local terms energy: -55.799623
where:
bonds (distance) C4'-P energy: -11.143
bonds (distance) P-C4' energy: -10.875
flat angles C4'-P-C4' energy: -10.587
flat angles P-C4'-P energy: -6.927
tors. eta vs tors. theta energy: -16.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -88.150090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.150090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.150090 (E_RNA)
where:
Base-Base interactions energy: -47.397
where: short stacking energy: -19.037
Base-Backbone interact. energy: -0.115
local terms energy: -40.637918
where:
bonds (distance) C4'-P energy: -10.154
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -10.553
flat angles P-C4'-P energy: -5.730
tors. eta vs tors. theta energy: -0.436
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: 10
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -114.505095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.505095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.505095 (E_RNA)
where:
Base-Base interactions energy: -66.977
where: short stacking energy: -34.799
Base-Backbone interact. energy: -0.449
local terms energy: -47.079507
where:
bonds (distance) C4'-P energy: -7.363
bonds (distance) P-C4' energy: -12.899
flat angles C4'-P-C4' energy: -10.819
flat angles P-C4'-P energy: -4.163
tors. eta vs tors. theta energy: -11.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -62.022526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.022526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.022526 (E_RNA)
where:
Base-Base interactions energy: -22.452
where: short stacking energy: -10.712
Base-Backbone interact. energy: -0.455
local terms energy: -39.116127
where:
bonds (distance) C4'-P energy: -12.956
bonds (distance) P-C4' energy: -13.094
flat angles C4'-P-C4' energy: -7.620
flat angles P-C4'-P energy: -6.737
tors. eta vs tors. theta energy: 1.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -66.489327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.489327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.489327 (E_RNA)
where:
Base-Base interactions energy: -32.506
where: short stacking energy: -12.417
Base-Backbone interact. energy: -1.222
local terms energy: -32.761247
where:
bonds (distance) C4'-P energy: -8.391
bonds (distance) P-C4' energy: -12.436
flat angles C4'-P-C4' energy: -9.962
flat angles P-C4'-P energy: -3.745
tors. eta vs tors. theta energy: 1.773
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: 9
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -68.406881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.406881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.406881 (E_RNA)
where:
Base-Base interactions energy: -29.010
where: short stacking energy: -21.906
Base-Backbone interact. energy: -0.052
local terms energy: -39.344557
where:
bonds (distance) C4'-P energy: -11.247
bonds (distance) P-C4' energy: -11.661
flat angles C4'-P-C4' energy: -6.291
flat angles P-C4'-P energy: -6.773
tors. eta vs tors. theta energy: -3.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -61.126581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.126581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.126581 (E_RNA)
where:
Base-Base interactions energy: -21.461
where: short stacking energy: -18.942
Base-Backbone interact. energy: -0.094
local terms energy: -39.572087
where:
bonds (distance) C4'-P energy: -8.598
bonds (distance) P-C4' energy: -13.512
flat angles C4'-P-C4' energy: -6.188
flat angles P-C4'-P energy: -6.774
tors. eta vs tors. theta energy: -4.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -181.023048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.023048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.023048 (E_RNA)
where:
Base-Base interactions energy: -120.178
where: short stacking energy: -41.637
Base-Backbone interact. energy: -0.671
local terms energy: -60.173608
where:
bonds (distance) C4'-P energy: -12.324
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -9.890
flat angles P-C4'-P energy: -8.229
tors. eta vs tors. theta energy: -16.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -182.271881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.271881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.271881 (E_RNA)
where:
Base-Base interactions energy: -120.466
where: short stacking energy: -48.979
Base-Backbone interact. energy: -0.018
local terms energy: -61.787814
where:
bonds (distance) C4'-P energy: -10.850
bonds (distance) P-C4' energy: -11.190
flat angles C4'-P-C4' energy: -12.042
flat angles P-C4'-P energy: -10.046
tors. eta vs tors. theta energy: -17.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -175.797893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.797893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.797893 (E_RNA)
where:
Base-Base interactions energy: -121.638
where: short stacking energy: -53.150
Base-Backbone interact. energy: -0.002
local terms energy: -54.157755
where:
bonds (distance) C4'-P energy: -11.776
bonds (distance) P-C4' energy: -10.371
flat angles C4'-P-C4' energy: -11.713
flat angles P-C4'-P energy: -6.141
tors. eta vs tors. theta energy: -14.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -163.619086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.619086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.619086 (E_RNA)
where:
Base-Base interactions energy: -108.268
where: short stacking energy: -44.944
Base-Backbone interact. energy: -0.047
local terms energy: -55.304440
where:
bonds (distance) C4'-P energy: -13.127
bonds (distance) P-C4' energy: -10.155
flat angles C4'-P-C4' energy: -10.918
flat angles P-C4'-P energy: -7.032
tors. eta vs tors. theta energy: -14.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -118.765918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.765918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.765918 (E_RNA)
where:
Base-Base interactions energy: -66.056
where: short stacking energy: -14.903
Base-Backbone interact. energy: -0.121
local terms energy: -52.588810
where:
bonds (distance) C4'-P energy: -12.999
bonds (distance) P-C4' energy: -13.022
flat angles C4'-P-C4' energy: -10.026
flat angles P-C4'-P energy: -7.410
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: 7
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -81.199632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.199632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.199632 (E_RNA)
where:
Base-Base interactions energy: -41.007
where: short stacking energy: -17.208
Base-Backbone interact. energy: -0.284
local terms energy: -39.909099
where:
bonds (distance) C4'-P energy: -7.856
bonds (distance) P-C4' energy: -13.571
flat angles C4'-P-C4' energy: -7.470
flat angles P-C4'-P energy: -7.826
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: 7, replica: 4
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -66.991997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.991997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.991997 (E_RNA)
where:
Base-Base interactions energy: -22.262
where: short stacking energy: -22.262
Base-Backbone interact. energy: 0.151
local terms energy: -44.881671
where:
bonds (distance) C4'-P energy: -12.973
bonds (distance) P-C4' energy: -10.809
flat angles C4'-P-C4' energy: -9.832
flat angles P-C4'-P energy: -4.873
tors. eta vs tors. theta energy: -6.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -66.097353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.097353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.097353 (E_RNA)
where:
Base-Base interactions energy: -20.213
where: short stacking energy: -16.848
Base-Backbone interact. energy: -0.110
local terms energy: -45.774687
where:
bonds (distance) C4'-P energy: -12.845
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -7.133
flat angles P-C4'-P energy: -7.275
tors. eta vs tors. theta energy: -3.707
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: 5
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -55.164830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.164830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.164830 (E_RNA)
where:
Base-Base interactions energy: -12.675
where: short stacking energy: -1.280
Base-Backbone interact. energy: -0.024
local terms energy: -42.465111
where:
bonds (distance) C4'-P energy: -11.669
bonds (distance) P-C4' energy: -13.891
flat angles C4'-P-C4' energy: -12.008
flat angles P-C4'-P energy: -6.559
tors. eta vs tors. theta energy: 1.662
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: 9
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -61.921057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.921057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.921057 (E_RNA)
where:
Base-Base interactions energy: -20.271
where: short stacking energy: -9.002
Base-Backbone interact. energy: -1.515
local terms energy: -40.135385
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -11.729
flat angles C4'-P-C4' energy: -8.395
flat angles P-C4'-P energy: -6.290
tors. eta vs tors. theta energy: -0.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -179.455639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.455639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.455639 (E_RNA)
where:
Base-Base interactions energy: -116.187
where: short stacking energy: -44.884
Base-Backbone interact. energy: -0.102
local terms energy: -63.166296
where:
bonds (distance) C4'-P energy: -14.385
bonds (distance) P-C4' energy: -12.504
flat angles C4'-P-C4' energy: -14.475
flat angles P-C4'-P energy: -6.588
tors. eta vs tors. theta energy: -15.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -178.514169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.514169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.514169 (E_RNA)
where:
Base-Base interactions energy: -112.691
where: short stacking energy: -45.846
Base-Backbone interact. energy: -0.012
local terms energy: -65.811020
where:
bonds (distance) C4'-P energy: -11.743
bonds (distance) P-C4' energy: -13.211
flat angles C4'-P-C4' energy: -14.021
flat angles P-C4'-P energy: -8.762
tors. eta vs tors. theta energy: -18.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -173.136527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.136527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.136527 (E_RNA)
where:
Base-Base interactions energy: -110.058
where: short stacking energy: -47.622
Base-Backbone interact. energy: -0.631
local terms energy: -62.447607
where:
bonds (distance) C4'-P energy: -10.278
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -11.483
flat angles P-C4'-P energy: -9.431
tors. eta vs tors. theta energy: -16.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -166.815289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.815289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.815289 (E_RNA)
where:
Base-Base interactions energy: -111.915
where: short stacking energy: -47.342
Base-Backbone interact. energy: -0.350
local terms energy: -54.550418
where:
bonds (distance) C4'-P energy: -8.812
bonds (distance) P-C4' energy: -9.075
flat angles C4'-P-C4' energy: -9.933
flat angles P-C4'-P energy: -9.916
tors. eta vs tors. theta energy: -16.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -131.835327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.835327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.835327 (E_RNA)
where:
Base-Base interactions energy: -79.434
where: short stacking energy: -36.712
Base-Backbone interact. energy: -0.137
local terms energy: -52.264263
where:
bonds (distance) C4'-P energy: -12.278
bonds (distance) P-C4' energy: -11.563
flat angles C4'-P-C4' energy: -10.276
flat angles P-C4'-P energy: -10.449
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: 343
Temperature: 1.150000
Total energy: -88.052383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.052383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.052383 (E_RNA)
where:
Base-Base interactions energy: -41.395
where: short stacking energy: -15.508
Base-Backbone interact. energy: 0.647
local terms energy: -47.304248
where:
bonds (distance) C4'-P energy: -14.340
bonds (distance) P-C4' energy: -10.398
flat angles C4'-P-C4' energy: -13.194
flat angles P-C4'-P energy: -6.178
tors. eta vs tors. theta energy: -3.195
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: 7, replica: 7
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -68.270616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.270616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.270616 (E_RNA)
where:
Base-Base interactions energy: -40.041
where: short stacking energy: -17.089
Base-Backbone interact. energy: -0.407
local terms energy: -27.822423
where:
bonds (distance) C4'-P energy: -2.797
bonds (distance) P-C4' energy: -11.616
flat angles C4'-P-C4' energy: -10.206
flat angles P-C4'-P energy: -3.373
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: 8, replica: 8
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -59.662105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.662105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.662105 (E_RNA)
where:
Base-Base interactions energy: -22.234
where: short stacking energy: -13.299
Base-Backbone interact. energy: -0.339
local terms energy: -37.088749
where:
bonds (distance) C4'-P energy: -6.183
bonds (distance) P-C4' energy: -11.324
flat angles C4'-P-C4' energy: -12.462
flat angles P-C4'-P energy: -5.537
tors. eta vs tors. theta energy: -1.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -62.189649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.189649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.189649 (E_RNA)
where:
Base-Base interactions energy: -22.115
where: short stacking energy: -20.107
Base-Backbone interact. energy: -0.268
local terms energy: -39.806969
where:
bonds (distance) C4'-P energy: -8.266
bonds (distance) P-C4' energy: -13.251
flat angles C4'-P-C4' energy: -6.333
flat angles P-C4'-P energy: -6.261
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: 9
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -63.905631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.905631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.905631 (E_RNA)
where:
Base-Base interactions energy: -29.609
where: short stacking energy: -15.069
Base-Backbone interact. energy: -0.165
local terms energy: -34.131036
where:
bonds (distance) C4'-P energy: -4.313
bonds (distance) P-C4' energy: -8.094
flat angles C4'-P-C4' energy: -8.899
flat angles P-C4'-P energy: -7.765
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: 1, replica: 6
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -179.656005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.656005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.656005 (E_RNA)
where:
Base-Base interactions energy: -113.026
where: short stacking energy: -50.328
Base-Backbone interact. energy: -0.004
local terms energy: -66.625954
where:
bonds (distance) C4'-P energy: -14.261
bonds (distance) P-C4' energy: -15.604
flat angles C4'-P-C4' energy: -11.737
flat angles P-C4'-P energy: -8.019
tors. eta vs tors. theta energy: -17.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -178.226890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.226890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.226890 (E_RNA)
where:
Base-Base interactions energy: -116.802
where: short stacking energy: -50.161
Base-Backbone interact. energy: -0.006
local terms energy: -61.418890
where:
bonds (distance) C4'-P energy: -11.252
bonds (distance) P-C4' energy: -10.313
flat angles C4'-P-C4' energy: -13.181
flat angles P-C4'-P energy: -9.682
tors. eta vs tors. theta energy: -16.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -177.337328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.337328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.337328 (E_RNA)
where:
Base-Base interactions energy: -111.266
where: short stacking energy: -43.429
Base-Backbone interact. energy: -0.010
local terms energy: -66.061090
where:
bonds (distance) C4'-P energy: -13.160
bonds (distance) P-C4' energy: -12.429
flat angles C4'-P-C4' energy: -11.623
flat angles P-C4'-P energy: -10.762
tors. eta vs tors. theta energy: -18.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -168.825409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.825409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.825409 (E_RNA)
where:
Base-Base interactions energy: -111.596
where: short stacking energy: -40.184
Base-Backbone interact. energy: -0.001
local terms energy: -57.227751
where:
bonds (distance) C4'-P energy: -9.965
bonds (distance) P-C4' energy: -13.970
flat angles C4'-P-C4' energy: -11.453
flat angles P-C4'-P energy: -5.749
tors. eta vs tors. theta energy: -16.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -135.228712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.228712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.228712 (E_RNA)
where:
Base-Base interactions energy: -84.066
where: short stacking energy: -33.034
Base-Backbone interact. energy: -0.201
local terms energy: -50.961570
where:
bonds (distance) C4'-P energy: -10.685
bonds (distance) P-C4' energy: -10.515
flat angles C4'-P-C4' energy: -13.240
flat angles P-C4'-P energy: -6.417
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: 6, replica: 4
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -82.228383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.228383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.228383 (E_RNA)
where:
Base-Base interactions energy: -39.845
where: short stacking energy: -22.873
Base-Backbone interact. energy: -0.203
local terms energy: -42.179981
where:
bonds (distance) C4'-P energy: -12.716
bonds (distance) P-C4' energy: -10.175
flat angles C4'-P-C4' energy: -9.828
flat angles P-C4'-P energy: -8.272
tors. eta vs tors. theta energy: -1.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -69.549063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.549063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.549063 (E_RNA)
where:
Base-Base interactions energy: -28.719
where: short stacking energy: -16.107
Base-Backbone interact. energy: -0.648
local terms energy: -40.182489
where:
bonds (distance) C4'-P energy: -8.345
bonds (distance) P-C4' energy: -12.385
flat angles C4'-P-C4' energy: -8.783
flat angles P-C4'-P energy: -9.654
tors. eta vs tors. theta energy: -1.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -68.245772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.245772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.245772 (E_RNA)
where:
Base-Base interactions energy: -32.396
where: short stacking energy: -15.860
Base-Backbone interact. energy: -0.125
local terms energy: -35.724124
where:
bonds (distance) C4'-P energy: -8.348
bonds (distance) P-C4' energy: -10.812
flat angles C4'-P-C4' energy: -8.429
flat angles P-C4'-P energy: -5.748
tors. eta vs tors. theta energy: -2.386
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: 9, replica: 9
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -61.718827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.718827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.718827 (E_RNA)
where:
Base-Base interactions energy: -27.935
where: short stacking energy: -12.556
Base-Backbone interact. energy: -0.239
local terms energy: -33.544805
where:
bonds (distance) C4'-P energy: -8.304
bonds (distance) P-C4' energy: -9.105
flat angles C4'-P-C4' energy: -11.273
flat angles P-C4'-P energy: -10.360
tors. eta vs tors. theta energy: 5.496
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: 5
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -58.414039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.414039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.414039 (E_RNA)
where:
Base-Base interactions energy: -21.209
where: short stacking energy: -13.372
Base-Backbone interact. energy: -0.099
local terms energy: -37.105776
where:
bonds (distance) C4'-P energy: -5.712
bonds (distance) P-C4' energy: -13.448
flat angles C4'-P-C4' energy: -12.913
flat angles P-C4'-P energy: -5.515
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: 6
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -183.381600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.381600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.381600 (E_RNA)
where:
Base-Base interactions energy: -123.345
where: short stacking energy: -51.986
Base-Backbone interact. energy: -0.040
local terms energy: -59.996193
where:
bonds (distance) C4'-P energy: -11.292
bonds (distance) P-C4' energy: -11.091
flat angles C4'-P-C4' energy: -12.779
flat angles P-C4'-P energy: -8.494
tors. eta vs tors. theta energy: -16.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -179.827381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.827381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.827381 (E_RNA)
where:
Base-Base interactions energy: -118.029
where: short stacking energy: -47.027
Base-Backbone interact. energy: -0.049
local terms energy: -61.749156
where:
bonds (distance) C4'-P energy: -11.205
bonds (distance) P-C4' energy: -12.846
flat angles C4'-P-C4' energy: -11.783
flat angles P-C4'-P energy: -9.835
tors. eta vs tors. theta energy: -16.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -172.694954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.694954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.694954 (E_RNA)
where:
Base-Base interactions energy: -105.402
where: short stacking energy: -37.044
Base-Backbone interact. energy: -0.015
local terms energy: -67.277501
where:
bonds (distance) C4'-P energy: -12.928
bonds (distance) P-C4' energy: -15.140
flat angles C4'-P-C4' energy: -14.318
flat angles P-C4'-P energy: -9.977
tors. eta vs tors. theta energy: -14.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -170.481517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.481517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.481517 (E_RNA)
where:
Base-Base interactions energy: -112.155
where: short stacking energy: -40.709
Base-Backbone interact. energy: -0.061
local terms energy: -58.265857
where:
bonds (distance) C4'-P energy: -8.287
bonds (distance) P-C4' energy: -11.926
flat angles C4'-P-C4' energy: -14.502
flat angles P-C4'-P energy: -8.624
tors. eta vs tors. theta energy: -14.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -174.105021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.105021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.105021 (E_RNA)
where:
Base-Base interactions energy: -113.620
where: short stacking energy: -44.241
Base-Backbone interact. energy: -0.012
local terms energy: -60.473066
where:
bonds (distance) C4'-P energy: -7.608
bonds (distance) P-C4' energy: -13.018
flat angles C4'-P-C4' energy: -13.629
flat angles P-C4'-P energy: -9.056
tors. eta vs tors. theta energy: -17.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -76.242803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.242803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.242803 (E_RNA)
where:
Base-Base interactions energy: -30.334
where: short stacking energy: -20.570
Base-Backbone interact. energy: -0.159
local terms energy: -45.749578
where:
bonds (distance) C4'-P energy: -13.044
bonds (distance) P-C4' energy: -10.176
flat angles C4'-P-C4' energy: -14.152
flat angles P-C4'-P energy: -6.822
tors. eta vs tors. theta energy: -1.555
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: 7, replica: 4
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -96.516586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.516586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.516586 (E_RNA)
where:
Base-Base interactions energy: -55.493
where: short stacking energy: -8.226
Base-Backbone interact. energy: -0.091
local terms energy: -40.932663
where:
bonds (distance) C4'-P energy: -10.845
bonds (distance) P-C4' energy: -11.416
flat angles C4'-P-C4' energy: -12.228
flat angles P-C4'-P energy: -7.538
tors. eta vs tors. theta energy: 1.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -74.803345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.803345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.803345 (E_RNA)
where:
Base-Base interactions energy: -23.176
where: short stacking energy: -23.176
Base-Backbone interact. energy: -0.008
local terms energy: -51.619452
where:
bonds (distance) C4'-P energy: -10.593
bonds (distance) P-C4' energy: -13.343
flat angles C4'-P-C4' energy: -9.595
flat angles P-C4'-P energy: -10.136
tors. eta vs tors. theta energy: -7.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -74.882134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.882134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.882134 (E_RNA)
where:
Base-Base interactions energy: -30.212
where: short stacking energy: -23.841
Base-Backbone interact. energy: -0.213
local terms energy: -44.457420
where:
bonds (distance) C4'-P energy: -10.548
bonds (distance) P-C4' energy: -5.876
flat angles C4'-P-C4' energy: -8.392
flat angles P-C4'-P energy: -11.776
tors. eta vs tors. theta energy: -7.866
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: 10, replica: 5
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -59.009124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.009124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.009124 (E_RNA)
where:
Base-Base interactions energy: -18.253
where: short stacking energy: -18.253
Base-Backbone interact. energy: -0.011
local terms energy: -40.745227
where:
bonds (distance) C4'-P energy: -12.894
bonds (distance) P-C4' energy: -12.997
flat angles C4'-P-C4' energy: -8.160
flat angles P-C4'-P energy: -5.736
tors. eta vs tors. theta energy: -0.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -183.287485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.287485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.287485 (E_RNA)
where:
Base-Base interactions energy: -119.825
where: short stacking energy: -49.357
Base-Backbone interact. energy: -0.002
local terms energy: -63.460146
where:
bonds (distance) C4'-P energy: -11.252
bonds (distance) P-C4' energy: -12.504
flat angles C4'-P-C4' energy: -13.005
flat angles P-C4'-P energy: -9.697
tors. eta vs tors. theta energy: -17.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -175.593206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.593206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.593206 (E_RNA)
where:
Base-Base interactions energy: -116.036
where: short stacking energy: -44.361
Base-Backbone interact. energy: -0.090
local terms energy: -59.467480
where:
bonds (distance) C4'-P energy: -13.159
bonds (distance) P-C4' energy: -11.202
flat angles C4'-P-C4' energy: -9.450
flat angles P-C4'-P energy: -10.461
tors. eta vs tors. theta energy: -15.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -175.646764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.646764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.646764 (E_RNA)
where:
Base-Base interactions energy: -116.811
where: short stacking energy: -49.440
Base-Backbone interact. energy: -0.527
local terms energy: -58.309139
where:
bonds (distance) C4'-P energy: -9.191
bonds (distance) P-C4' energy: -12.311
flat angles C4'-P-C4' energy: -13.206
flat angles P-C4'-P energy: -7.318
tors. eta vs tors. theta energy: -16.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -160.239561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.239561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.239561 (E_RNA)
where:
Base-Base interactions energy: -107.254
where: short stacking energy: -29.012
Base-Backbone interact. energy: -0.049
local terms energy: -52.936406
where:
bonds (distance) C4'-P energy: -9.429
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -12.419
flat angles P-C4'-P energy: -9.295
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: 5, replica: 10
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -162.079271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.079271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.079271 (E_RNA)
where:
Base-Base interactions energy: -103.998
where: short stacking energy: -38.163
Base-Backbone interact. energy: -0.045
local terms energy: -58.035914
where:
bonds (distance) C4'-P energy: -12.140
bonds (distance) P-C4' energy: -11.851
flat angles C4'-P-C4' energy: -11.994
flat angles P-C4'-P energy: -7.263
tors. eta vs tors. theta energy: -14.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -72.299852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.299852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.299852 (E_RNA)
where:
Base-Base interactions energy: -23.418
where: short stacking energy: -16.247
Base-Backbone interact. energy: -1.512
local terms energy: -47.370285
where:
bonds (distance) C4'-P energy: -9.519
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -12.509
flat angles P-C4'-P energy: -10.867
tors. eta vs tors. theta energy: -0.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -68.030559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.030559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.030559 (E_RNA)
where:
Base-Base interactions energy: -19.515
where: short stacking energy: -17.957
Base-Backbone interact. energy: -0.073
local terms energy: -48.441912
where:
bonds (distance) C4'-P energy: -9.062
bonds (distance) P-C4' energy: -13.043
flat angles C4'-P-C4' energy: -12.988
flat angles P-C4'-P energy: -8.838
tors. eta vs tors. theta energy: -4.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -74.902769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.902769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.902769 (E_RNA)
where:
Base-Base interactions energy: -34.870
where: short stacking energy: -16.218
Base-Backbone interact. energy: -0.016
local terms energy: -40.016531
where:
bonds (distance) C4'-P energy: -8.000
bonds (distance) P-C4' energy: -14.128
flat angles C4'-P-C4' energy: -10.740
flat angles P-C4'-P energy: -8.354
tors. eta vs tors. theta energy: 1.205
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: 5
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -67.783171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.783171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.783171 (E_RNA)
where:
Base-Base interactions energy: -20.083
where: short stacking energy: -19.142
Base-Backbone interact. energy: -0.112
local terms energy: -47.588615
where:
bonds (distance) C4'-P energy: -12.324
bonds (distance) P-C4' energy: -13.763
flat angles C4'-P-C4' energy: -8.836
flat angles P-C4'-P energy: -7.346
tors. eta vs tors. theta energy: -5.320
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: 7
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -59.306444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.306444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.306444 (E_RNA)
where:
Base-Base interactions energy: -24.069
where: short stacking energy: -19.710
Base-Backbone interact. energy: -0.067
local terms energy: -35.170804
where:
bonds (distance) C4'-P energy: -11.384
bonds (distance) P-C4' energy: -10.048
flat angles C4'-P-C4' energy: -8.597
flat angles P-C4'-P energy: -5.754
tors. eta vs tors. theta energy: 0.612
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: 6
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -179.599809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.599809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.599809 (E_RNA)
where:
Base-Base interactions energy: -114.906
where: short stacking energy: -53.063
Base-Backbone interact. energy: -0.005
local terms energy: -64.689306
where:
bonds (distance) C4'-P energy: -8.622
bonds (distance) P-C4' energy: -14.382
flat angles C4'-P-C4' energy: -14.459
flat angles P-C4'-P energy: -9.038
tors. eta vs tors. theta energy: -18.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -174.918465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.918465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.918465 (E_RNA)
where:
Base-Base interactions energy: -115.377
where: short stacking energy: -42.648
Base-Backbone interact. energy: -0.200
local terms energy: -59.341402
where:
bonds (distance) C4'-P energy: -10.936
bonds (distance) P-C4' energy: -10.373
flat angles C4'-P-C4' energy: -14.434
flat angles P-C4'-P energy: -6.260
tors. eta vs tors. theta energy: -17.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -178.646442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.646442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.646442 (E_RNA)
where:
Base-Base interactions energy: -115.709
where: short stacking energy: -42.600
Base-Backbone interact. energy: -0.450
local terms energy: -62.488160
where:
bonds (distance) C4'-P energy: -10.755
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -13.253
flat angles P-C4'-P energy: -9.565
tors. eta vs tors. theta energy: -14.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -170.722033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.722033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.722033 (E_RNA)
where:
Base-Base interactions energy: -112.843
where: short stacking energy: -41.504
Base-Backbone interact. energy: -0.008
local terms energy: -57.871046
where:
bonds (distance) C4'-P energy: -9.004
bonds (distance) P-C4' energy: -12.105
flat angles C4'-P-C4' energy: -13.020
flat angles P-C4'-P energy: -8.813
tors. eta vs tors. theta energy: -14.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -168.236675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.236675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.236675 (E_RNA)
where:
Base-Base interactions energy: -113.385
where: short stacking energy: -46.435
Base-Backbone interact. energy: -0.582
local terms energy: -54.269169
where:
bonds (distance) C4'-P energy: -8.782
bonds (distance) P-C4' energy: -10.805
flat angles C4'-P-C4' energy: -8.635
flat angles P-C4'-P energy: -9.623
tors. eta vs tors. theta energy: -16.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -69.321700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.321700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.321700 (E_RNA)
where:
Base-Base interactions energy: -25.416
where: short stacking energy: -19.188
Base-Backbone interact. energy: -0.137
local terms energy: -43.768691
where:
bonds (distance) C4'-P energy: -12.497
bonds (distance) P-C4' energy: -12.385
flat angles C4'-P-C4' energy: -11.761
flat angles P-C4'-P energy: -10.053
tors. eta vs tors. theta energy: 2.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -69.675663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.675663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.675663 (E_RNA)
where:
Base-Base interactions energy: -19.576
where: short stacking energy: -19.576
Base-Backbone interact. energy: 0.141
local terms energy: -50.240046
where:
bonds (distance) C4'-P energy: -14.849
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -11.909
flat angles P-C4'-P energy: -4.474
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: 8, replica: 5
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -68.609300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.609300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.609300 (E_RNA)
where:
Base-Base interactions energy: -21.896
where: short stacking energy: -21.896
Base-Backbone interact. energy: -0.129
local terms energy: -46.584111
where:
bonds (distance) C4'-P energy: -9.645
bonds (distance) P-C4' energy: -11.916
flat angles C4'-P-C4' energy: -9.695
flat angles P-C4'-P energy: -9.103
tors. eta vs tors. theta energy: -6.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -75.653456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.653456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.653456 (E_RNA)
where:
Base-Base interactions energy: -39.394
where: short stacking energy: -6.218
Base-Backbone interact. energy: -1.440
local terms energy: -34.819156
where:
bonds (distance) C4'-P energy: -6.528
bonds (distance) P-C4' energy: -13.057
flat angles C4'-P-C4' energy: -12.360
flat angles P-C4'-P energy: -5.028
tors. eta vs tors. theta energy: 2.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -65.864568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.864568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.864568 (E_RNA)
where:
Base-Base interactions energy: -25.176
where: short stacking energy: -13.023
Base-Backbone interact. energy: -0.107
local terms energy: -40.581634
where:
bonds (distance) C4'-P energy: -13.640
bonds (distance) P-C4' energy: -12.454
flat angles C4'-P-C4' energy: -8.469
flat angles P-C4'-P energy: -5.532
tors. eta vs tors. theta energy: -0.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -179.253051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.253051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.253051 (E_RNA)
where:
Base-Base interactions energy: -115.039
where: short stacking energy: -45.123
Base-Backbone interact. energy: -0.145
local terms energy: -64.069556
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -13.223
flat angles C4'-P-C4' energy: -13.979
flat angles P-C4'-P energy: -8.100
tors. eta vs tors. theta energy: -15.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -179.228722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.228722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.228722 (E_RNA)
where:
Base-Base interactions energy: -116.578
where: short stacking energy: -45.275
Base-Backbone interact. energy: -0.042
local terms energy: -62.608458
where:
bonds (distance) C4'-P energy: -13.077
bonds (distance) P-C4' energy: -13.606
flat angles C4'-P-C4' energy: -13.497
flat angles P-C4'-P energy: -6.879
tors. eta vs tors. theta energy: -15.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -176.599034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.599034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.599034 (E_RNA)
where:
Base-Base interactions energy: -115.842
where: short stacking energy: -47.425
Base-Backbone interact. energy: -0.010
local terms energy: -60.747289
where:
bonds (distance) C4'-P energy: -9.011
bonds (distance) P-C4' energy: -10.998
flat angles C4'-P-C4' energy: -14.731
flat angles P-C4'-P energy: -8.716
tors. eta vs tors. theta energy: -17.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -174.497882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.497882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.497882 (E_RNA)
where:
Base-Base interactions energy: -110.975
where: short stacking energy: -42.720
Base-Backbone interact. energy: 0.260
local terms energy: -63.783137
where:
bonds (distance) C4'-P energy: -11.749
bonds (distance) P-C4' energy: -13.283
flat angles C4'-P-C4' energy: -11.768
flat angles P-C4'-P energy: -10.973
tors. eta vs tors. theta energy: -16.011
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: 5, replica: 2
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -159.518919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.518919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.518919 (E_RNA)
where:
Base-Base interactions energy: -105.225
where: short stacking energy: -38.874
Base-Backbone interact. energy: -0.203
local terms energy: -54.090585
where:
bonds (distance) C4'-P energy: -9.466
bonds (distance) P-C4' energy: -12.373
flat angles C4'-P-C4' energy: -12.732
flat angles P-C4'-P energy: -5.915
tors. eta vs tors. theta energy: -13.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -108.078048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.078048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.078048 (E_RNA)
where:
Base-Base interactions energy: -56.467
where: short stacking energy: -26.081
Base-Backbone interact. energy: -0.014
local terms energy: -51.596975
where:
bonds (distance) C4'-P energy: -13.532
bonds (distance) P-C4' energy: -12.272
flat angles C4'-P-C4' energy: -8.927
flat angles P-C4'-P energy: -8.563
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: 8
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -83.767141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.767141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.767141 (E_RNA)
where:
Base-Base interactions energy: -45.789
where: short stacking energy: -20.058
Base-Backbone interact. energy: 0.090
local terms energy: -38.068258
where:
bonds (distance) C4'-P energy: -8.350
bonds (distance) P-C4' energy: -12.907
flat angles C4'-P-C4' energy: -7.116
flat angles P-C4'-P energy: -0.619
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: 8, replica: 5
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -65.224801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.224801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.224801 (E_RNA)
where:
Base-Base interactions energy: -19.505
where: short stacking energy: -16.375
Base-Backbone interact. energy: -0.101
local terms energy: -45.618186
where:
bonds (distance) C4'-P energy: -7.679
bonds (distance) P-C4' energy: -14.339
flat angles C4'-P-C4' energy: -12.835
flat angles P-C4'-P energy: -5.993
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: 7
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -65.519751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.519751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.519751 (E_RNA)
where:
Base-Base interactions energy: -22.061
where: short stacking energy: -22.061
Base-Backbone interact. energy: -0.045
local terms energy: -43.413034
where:
bonds (distance) C4'-P energy: -11.905
bonds (distance) P-C4' energy: -8.442
flat angles C4'-P-C4' energy: -8.426
flat angles P-C4'-P energy: -7.060
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: 10, replica: 4
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -62.902942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.902942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.902942 (E_RNA)
where:
Base-Base interactions energy: -22.816
where: short stacking energy: -16.684
Base-Backbone interact. energy: -0.153
local terms energy: -39.934263
where:
bonds (distance) C4'-P energy: -11.864
bonds (distance) P-C4' energy: -9.787
flat angles C4'-P-C4' energy: -11.432
flat angles P-C4'-P energy: -1.776
tors. eta vs tors. theta energy: -5.075
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: 1, replica: 1
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -182.732018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.732018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.732018 (E_RNA)
where:
Base-Base interactions energy: -123.580
where: short stacking energy: -42.902
Base-Backbone interact. energy: -0.096
local terms energy: -59.055229
where:
bonds (distance) C4'-P energy: -12.848
bonds (distance) P-C4' energy: -13.046
flat angles C4'-P-C4' energy: -10.469
flat angles P-C4'-P energy: -9.301
tors. eta vs tors. theta energy: -13.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -176.719925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.719925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.719925 (E_RNA)
where:
Base-Base interactions energy: -113.560
where: short stacking energy: -37.200
Base-Backbone interact. energy: -0.563
local terms energy: -62.596697
where:
bonds (distance) C4'-P energy: -12.502
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -14.749
flat angles P-C4'-P energy: -8.045
tors. eta vs tors. theta energy: -13.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -176.311346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.311346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.311346 (E_RNA)
where:
Base-Base interactions energy: -111.071
where: short stacking energy: -47.371
Base-Backbone interact. energy: -0.046
local terms energy: -65.194715
where:
bonds (distance) C4'-P energy: -13.760
bonds (distance) P-C4' energy: -12.381
flat angles C4'-P-C4' energy: -12.018
flat angles P-C4'-P energy: -7.818
tors. eta vs tors. theta energy: -19.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -166.762266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.762266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.762266 (E_RNA)
where:
Base-Base interactions energy: -115.722
where: short stacking energy: -40.942
Base-Backbone interact. energy: 1.373
local terms energy: -52.413485
where:
bonds (distance) C4'-P energy: -12.655
bonds (distance) P-C4' energy: -13.815
flat angles C4'-P-C4' energy: -8.537
flat angles P-C4'-P energy: -7.876
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: 5, replica: 2
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -167.789458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.789458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.789458 (E_RNA)
where:
Base-Base interactions energy: -113.020
where: short stacking energy: -42.540
Base-Backbone interact. energy: -0.018
local terms energy: -54.750610
where:
bonds (distance) C4'-P energy: -10.178
bonds (distance) P-C4' energy: -10.709
flat angles C4'-P-C4' energy: -12.464
flat angles P-C4'-P energy: -7.243
tors. eta vs tors. theta energy: -14.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -76.682125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.682125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.682125 (E_RNA)
where:
Base-Base interactions energy: -35.673
where: short stacking energy: -22.119
Base-Backbone interact. energy: 1.259
local terms energy: -42.268565
where:
bonds (distance) C4'-P energy: -12.626
bonds (distance) P-C4' energy: -10.306
flat angles C4'-P-C4' energy: -10.362
flat angles P-C4'-P energy: -8.153
tors. eta vs tors. theta energy: -0.821
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: 9
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -73.415320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.415320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.415320 (E_RNA)
where:
Base-Base interactions energy: -35.278
where: short stacking energy: -18.511
Base-Backbone interact. energy: -0.060
local terms energy: -38.076790
where:
bonds (distance) C4'-P energy: -10.899
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -6.914
flat angles P-C4'-P energy: -3.536
tors. eta vs tors. theta energy: -4.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -69.197528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.197528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.197528 (E_RNA)
where:
Base-Base interactions energy: -22.275
where: short stacking energy: -22.275
Base-Backbone interact. energy: -0.474
local terms energy: -46.448598
where:
bonds (distance) C4'-P energy: -6.486
bonds (distance) P-C4' energy: -10.358
flat angles C4'-P-C4' energy: -12.022
flat angles P-C4'-P energy: -6.687
tors. eta vs tors. theta energy: -10.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -63.188056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.188056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.188056 (E_RNA)
where:
Base-Base interactions energy: -21.166
where: short stacking energy: -12.431
Base-Backbone interact. energy: 0.233
local terms energy: -42.255899
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -14.650
flat angles C4'-P-C4' energy: -7.320
flat angles P-C4'-P energy: -6.660
tors. eta vs tors. theta energy: -0.011
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: 4
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -60.494261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.494261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.494261 (E_RNA)
where:
Base-Base interactions energy: -13.090
where: short stacking energy: -13.090
Base-Backbone interact. energy: -0.040
local terms energy: -47.363722
where:
bonds (distance) C4'-P energy: -13.478
bonds (distance) P-C4' energy: -14.189
flat angles C4'-P-C4' energy: -10.707
flat angles P-C4'-P energy: -8.622
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: 1, replica: 1
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -179.180359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.180359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.180359 (E_RNA)
where:
Base-Base interactions energy: -117.926
where: short stacking energy: -41.901
Base-Backbone interact. energy: -0.431
local terms energy: -60.823861
where:
bonds (distance) C4'-P energy: -13.362
bonds (distance) P-C4' energy: -13.275
flat angles C4'-P-C4' energy: -12.119
flat angles P-C4'-P energy: -6.967
tors. eta vs tors. theta energy: -15.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -181.246232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.246232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.246232 (E_RNA)
where:
Base-Base interactions energy: -120.179
where: short stacking energy: -49.479
Base-Backbone interact. energy: -0.001
local terms energy: -61.066310
where:
bonds (distance) C4'-P energy: -14.485
bonds (distance) P-C4' energy: -12.285
flat angles C4'-P-C4' energy: -8.420
flat angles P-C4'-P energy: -8.973
tors. eta vs tors. theta energy: -16.903
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: 3
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -172.959186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.959186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.959186 (E_RNA)
where:
Base-Base interactions energy: -113.815
where: short stacking energy: -40.471
Base-Backbone interact. energy: -0.868
local terms energy: -58.276122
where:
bonds (distance) C4'-P energy: -9.182
bonds (distance) P-C4' energy: -13.374
flat angles C4'-P-C4' energy: -14.378
flat angles P-C4'-P energy: -8.675
tors. eta vs tors. theta energy: -12.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -171.053414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.053414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.053414 (E_RNA)
where:
Base-Base interactions energy: -110.817
where: short stacking energy: -48.565
Base-Backbone interact. energy: -0.049
local terms energy: -60.187818
where:
bonds (distance) C4'-P energy: -8.126
bonds (distance) P-C4' energy: -11.951
flat angles C4'-P-C4' energy: -11.766
flat angles P-C4'-P energy: -10.890
tors. eta vs tors. theta energy: -17.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -175.981403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.981403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.981403 (E_RNA)
where:
Base-Base interactions energy: -121.216
where: short stacking energy: -42.323
Base-Backbone interact. energy: -0.012
local terms energy: -54.752994
where:
bonds (distance) C4'-P energy: -7.715
bonds (distance) P-C4' energy: -14.097
flat angles C4'-P-C4' energy: -12.063
flat angles P-C4'-P energy: -8.292
tors. eta vs tors. theta energy: -12.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -84.615279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.615279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.615279 (E_RNA)
where:
Base-Base interactions energy: -33.289
where: short stacking energy: -13.135
Base-Backbone interact. energy: -0.232
local terms energy: -51.094621
where:
bonds (distance) C4'-P energy: -13.321
bonds (distance) P-C4' energy: -11.686
flat angles C4'-P-C4' energy: -10.054
flat angles P-C4'-P energy: -9.337
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: 7
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -76.275520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.275520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.275520 (E_RNA)
where:
Base-Base interactions energy: -23.263
where: short stacking energy: -23.263
Base-Backbone interact. energy: -0.000
local terms energy: -53.012510
where:
bonds (distance) C4'-P energy: -10.743
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -12.956
flat angles P-C4'-P energy: -8.680
tors. eta vs tors. theta energy: -7.048
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: 9
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -65.862835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.862835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.862835 (E_RNA)
where:
Base-Base interactions energy: -27.498
where: short stacking energy: -11.630
Base-Backbone interact. energy: -0.012
local terms energy: -38.353185
where:
bonds (distance) C4'-P energy: -12.626
bonds (distance) P-C4' energy: -10.903
flat angles C4'-P-C4' energy: -9.233
flat angles P-C4'-P energy: -7.642
tors. eta vs tors. theta energy: 2.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -58.739354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.739354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.739354 (E_RNA)
where:
Base-Base interactions energy: -23.617
where: short stacking energy: -10.545
Base-Backbone interact. energy: -0.255
local terms energy: -34.867201
where:
bonds (distance) C4'-P energy: -11.416
bonds (distance) P-C4' energy: -10.812
flat angles C4'-P-C4' energy: -8.515
flat angles P-C4'-P energy: -9.207
tors. eta vs tors. theta energy: 5.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -56.633621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.633621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.633621 (E_RNA)
where:
Base-Base interactions energy: -18.326
where: short stacking energy: -13.458
Base-Backbone interact. energy: -0.041
local terms energy: -38.266832
where:
bonds (distance) C4'-P energy: -11.277
bonds (distance) P-C4' energy: -9.726
flat angles C4'-P-C4' energy: -8.488
flat angles P-C4'-P energy: -9.432
tors. eta vs tors. theta energy: 0.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -178.871755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.871755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.871755 (E_RNA)
where:
Base-Base interactions energy: -115.963
where: short stacking energy: -45.766
Base-Backbone interact. energy: -0.550
local terms energy: -62.358725
where:
bonds (distance) C4'-P energy: -10.961
bonds (distance) P-C4' energy: -15.563
flat angles C4'-P-C4' energy: -12.765
flat angles P-C4'-P energy: -7.813
tors. eta vs tors. theta energy: -15.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -170.019471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.019471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.019471 (E_RNA)
where:
Base-Base interactions energy: -109.719
where: short stacking energy: -44.641
Base-Backbone interact. energy: -0.022
local terms energy: -60.278935
where:
bonds (distance) C4'-P energy: -11.520
bonds (distance) P-C4' energy: -14.502
flat angles C4'-P-C4' energy: -12.886
flat angles P-C4'-P energy: -9.207
tors. eta vs tors. theta energy: -12.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -173.717679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.717679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.717679 (E_RNA)
where:
Base-Base interactions energy: -112.462
where: short stacking energy: -46.949
Base-Backbone interact. energy: -0.003
local terms energy: -61.252633
where:
bonds (distance) C4'-P energy: -11.966
bonds (distance) P-C4' energy: -11.914
flat angles C4'-P-C4' energy: -14.262
flat angles P-C4'-P energy: -8.031
tors. eta vs tors. theta energy: -15.079
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: 2
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -161.240882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.240882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.240882 (E_RNA)
where:
Base-Base interactions energy: -107.119
where: short stacking energy: -33.614
Base-Backbone interact. energy: -0.106
local terms energy: -54.016177
where:
bonds (distance) C4'-P energy: -12.261
bonds (distance) P-C4' energy: -8.592
flat angles C4'-P-C4' energy: -13.064
flat angles P-C4'-P energy: -7.360
tors. eta vs tors. theta energy: -12.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -165.568996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.568996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.568996 (E_RNA)
where:
Base-Base interactions energy: -112.112
where: short stacking energy: -45.701
Base-Backbone interact. energy: -0.001
local terms energy: -53.455735
where:
bonds (distance) C4'-P energy: -10.921
bonds (distance) P-C4' energy: -12.088
flat angles C4'-P-C4' energy: -9.374
flat angles P-C4'-P energy: -7.117
tors. eta vs tors. theta energy: -13.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -65.697109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.697109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.697109 (E_RNA)
where:
Base-Base interactions energy: -24.812
where: short stacking energy: -20.943
Base-Backbone interact. energy: 1.019
local terms energy: -41.904374
where:
bonds (distance) C4'-P energy: -11.815
bonds (distance) P-C4' energy: -10.003
flat angles C4'-P-C4' energy: -13.793
flat angles P-C4'-P energy: -5.348
tors. eta vs tors. theta energy: -0.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -65.441192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.441192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.441192 (E_RNA)
where:
Base-Base interactions energy: -21.878
where: short stacking energy: -16.959
Base-Backbone interact. energy: -1.189
local terms energy: -42.374604
where:
bonds (distance) C4'-P energy: -11.604
bonds (distance) P-C4' energy: -11.490
flat angles C4'-P-C4' energy: -9.458
flat angles P-C4'-P energy: -9.629
tors. eta vs tors. theta energy: -0.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -62.734887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.734887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.734887 (E_RNA)
where:
Base-Base interactions energy: -22.486
where: short stacking energy: -5.547
Base-Backbone interact. energy: -0.914
local terms energy: -39.334674
where:
bonds (distance) C4'-P energy: -11.305
bonds (distance) P-C4' energy: -11.672
flat angles C4'-P-C4' energy: -12.730
flat angles P-C4'-P energy: -5.883
tors. eta vs tors. theta energy: 2.255
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: 9
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -84.491353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.491353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.491353 (E_RNA)
where:
Base-Base interactions energy: -39.465
where: short stacking energy: -20.298
Base-Backbone interact. energy: -0.040
local terms energy: -44.986093
where:
bonds (distance) C4'-P energy: -11.143
bonds (distance) P-C4' energy: -13.209
flat angles C4'-P-C4' energy: -8.193
flat angles P-C4'-P energy: -9.589
tors. eta vs tors. theta energy: -2.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -78.046024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.046024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.046024 (E_RNA)
where:
Base-Base interactions energy: -36.665
where: short stacking energy: -21.525
Base-Backbone interact. energy: -0.425
local terms energy: -40.956622
where:
bonds (distance) C4'-P energy: -9.475
bonds (distance) P-C4' energy: -11.777
flat angles C4'-P-C4' energy: -10.030
flat angles P-C4'-P energy: -8.914
tors. eta vs tors. theta energy: -0.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -179.694967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.694967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.694967 (E_RNA)
where:
Base-Base interactions energy: -115.458
where: short stacking energy: -47.712
Base-Backbone interact. energy: -1.000
local terms energy: -63.236984
where:
bonds (distance) C4'-P energy: -10.945
bonds (distance) P-C4' energy: -11.886
flat angles C4'-P-C4' energy: -11.764
flat angles P-C4'-P energy: -11.861
tors. eta vs tors. theta energy: -16.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -176.320508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.320508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.320508 (E_RNA)
where:
Base-Base interactions energy: -112.912
where: short stacking energy: -47.028
Base-Backbone interact. energy: -0.032
local terms energy: -63.376638
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -11.066
flat angles C4'-P-C4' energy: -13.390
flat angles P-C4'-P energy: -10.379
tors. eta vs tors. theta energy: -15.469
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: 352
Temperature: 1.000000
Total energy: -174.960573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.960573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.960573 (E_RNA)
where:
Base-Base interactions energy: -114.393
where: short stacking energy: -41.235
Base-Backbone interact. energy: -0.008
local terms energy: -60.559506
where:
bonds (distance) C4'-P energy: -12.622
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -12.113
flat angles P-C4'-P energy: -10.340
tors. eta vs tors. theta energy: -12.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -173.241293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.241293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.241293 (E_RNA)
where:
Base-Base interactions energy: -112.907
where: short stacking energy: -46.555
Base-Backbone interact. energy: -0.021
local terms energy: -60.313384
where:
bonds (distance) C4'-P energy: -9.836
bonds (distance) P-C4' energy: -12.722
flat angles C4'-P-C4' energy: -13.762
flat angles P-C4'-P energy: -7.538
tors. eta vs tors. theta energy: -16.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -150.058210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.058210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.058210 (E_RNA)
where:
Base-Base interactions energy: -93.740
where: short stacking energy: -42.353
Base-Backbone interact. energy: -0.832
local terms energy: -55.486305
where:
bonds (distance) C4'-P energy: -10.637
bonds (distance) P-C4' energy: -12.961
flat angles C4'-P-C4' energy: -12.588
flat angles P-C4'-P energy: -5.717
tors. eta vs tors. theta energy: -13.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -74.077856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.077856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.077856 (E_RNA)
where:
Base-Base interactions energy: -32.927
where: short stacking energy: -10.647
Base-Backbone interact. energy: -0.226
local terms energy: -40.924805
where:
bonds (distance) C4'-P energy: -11.968
bonds (distance) P-C4' energy: -13.873
flat angles C4'-P-C4' energy: -8.225
flat angles P-C4'-P energy: -9.010
tors. eta vs tors. theta energy: 2.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -79.902497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.902497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.902497 (E_RNA)
where:
Base-Base interactions energy: -28.957
where: short stacking energy: -28.957
Base-Backbone interact. energy: -0.002
local terms energy: -50.943644
where:
bonds (distance) C4'-P energy: -11.595
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -9.248
flat angles P-C4'-P energy: -6.132
tors. eta vs tors. theta energy: -10.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -65.203467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.203467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.203467 (E_RNA)
where:
Base-Base interactions energy: -18.972
where: short stacking energy: -17.470
Base-Backbone interact. energy: -0.133
local terms energy: -46.098547
where:
bonds (distance) C4'-P energy: -12.432
bonds (distance) P-C4' energy: -9.127
flat angles C4'-P-C4' energy: -13.926
flat angles P-C4'-P energy: -8.888
tors. eta vs tors. theta energy: -1.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -64.894709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.894709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.894709 (E_RNA)
where:
Base-Base interactions energy: -31.972
where: short stacking energy: -13.601
Base-Backbone interact. energy: 0.796
local terms energy: -33.718475
where:
bonds (distance) C4'-P energy: -6.875
bonds (distance) P-C4' energy: -11.332
flat angles C4'-P-C4' energy: -8.227
flat angles P-C4'-P energy: -10.996
tors. eta vs tors. theta energy: 3.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -58.012449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.012449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.012449 (E_RNA)
where:
Base-Base interactions energy: -30.776
where: short stacking energy: -15.564
Base-Backbone interact. energy: -0.233
local terms energy: -27.003342
where:
bonds (distance) C4'-P energy: -11.264
bonds (distance) P-C4' energy: -10.840
flat angles C4'-P-C4' energy: -1.851
flat angles P-C4'-P energy: -4.502
tors. eta vs tors. theta energy: 1.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -182.916481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.916481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.916481 (E_RNA)
where:
Base-Base interactions energy: -118.340
where: short stacking energy: -49.446
Base-Backbone interact. energy: 0.534
local terms energy: -65.110418
where:
bonds (distance) C4'-P energy: -11.856
bonds (distance) P-C4' energy: -12.806
flat angles C4'-P-C4' energy: -14.514
flat angles P-C4'-P energy: -9.730
tors. eta vs tors. theta energy: -16.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -171.827014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.827014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.827014 (E_RNA)
where:
Base-Base interactions energy: -109.586
where: short stacking energy: -42.684
Base-Backbone interact. energy: -0.089
local terms energy: -62.151460
where:
bonds (distance) C4'-P energy: -14.849
bonds (distance) P-C4' energy: -9.865
flat angles C4'-P-C4' energy: -11.569
flat angles P-C4'-P energy: -10.681
tors. eta vs tors. theta energy: -15.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -175.601799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.601799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.601799 (E_RNA)
where:
Base-Base interactions energy: -120.145
where: short stacking energy: -50.441
Base-Backbone interact. energy: -0.011
local terms energy: -55.445510
where:
bonds (distance) C4'-P energy: -5.774
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -11.032
flat angles P-C4'-P energy: -10.766
tors. eta vs tors. theta energy: -14.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -177.485304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.485304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.485304 (E_RNA)
where:
Base-Base interactions energy: -114.509
where: short stacking energy: -46.268
Base-Backbone interact. energy: -0.663
local terms energy: -62.313513
where:
bonds (distance) C4'-P energy: -12.473
bonds (distance) P-C4' energy: -11.538
flat angles C4'-P-C4' energy: -13.071
flat angles P-C4'-P energy: -8.126
tors. eta vs tors. theta energy: -17.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -145.029721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.029721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.029721 (E_RNA)
where:
Base-Base interactions energy: -91.915
where: short stacking energy: -35.934
Base-Backbone interact. energy: -0.110
local terms energy: -53.005167
where:
bonds (distance) C4'-P energy: -12.084
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -5.893
flat angles P-C4'-P energy: -10.831
tors. eta vs tors. theta energy: -11.557
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: 6, replica: 4
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -64.955342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.955342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.955342 (E_RNA)
where:
Base-Base interactions energy: -21.588
where: short stacking energy: -14.334
Base-Backbone interact. energy: -0.519
local terms energy: -42.848043
where:
bonds (distance) C4'-P energy: -10.055
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -14.174
flat angles P-C4'-P energy: -5.045
tors. eta vs tors. theta energy: 0.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -69.142436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.142436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.142436 (E_RNA)
where:
Base-Base interactions energy: -29.074
where: short stacking energy: -21.714
Base-Backbone interact. energy: -0.259
local terms energy: -39.810171
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -9.503
flat angles C4'-P-C4' energy: -8.137
flat angles P-C4'-P energy: -10.012
tors. eta vs tors. theta energy: 0.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -64.180275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.180275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.180275 (E_RNA)
where:
Base-Base interactions energy: -24.776
where: short stacking energy: -10.487
Base-Backbone interact. energy: -0.101
local terms energy: -39.303107
where:
bonds (distance) C4'-P energy: -13.992
bonds (distance) P-C4' energy: -13.690
flat angles C4'-P-C4' energy: -11.630
flat angles P-C4'-P energy: -0.349
tors. eta vs tors. theta energy: 0.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -56.939116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.939116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.939116 (E_RNA)
where:
Base-Base interactions energy: -18.918
where: short stacking energy: -12.910
Base-Backbone interact. energy: -0.431
local terms energy: -37.590644
where:
bonds (distance) C4'-P energy: -9.483
bonds (distance) P-C4' energy: -13.751
flat angles C4'-P-C4' energy: -10.225
flat angles P-C4'-P energy: -5.428
tors. eta vs tors. theta energy: 1.298
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: 9
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -57.879026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.879026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.879026 (E_RNA)
where:
Base-Base interactions energy: -15.603
where: short stacking energy: -10.800
Base-Backbone interact. energy: -0.248
local terms energy: -42.027744
where:
bonds (distance) C4'-P energy: -12.971
bonds (distance) P-C4' energy: -10.147
flat angles C4'-P-C4' energy: -10.781
flat angles P-C4'-P energy: -7.201
tors. eta vs tors. theta energy: -0.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -183.782330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.782330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.782330 (E_RNA)
where:
Base-Base interactions energy: -121.532
where: short stacking energy: -50.785
Base-Backbone interact. energy: -0.007
local terms energy: -62.243391
where:
bonds (distance) C4'-P energy: -13.139
bonds (distance) P-C4' energy: -10.467
flat angles C4'-P-C4' energy: -12.542
flat angles P-C4'-P energy: -8.849
tors. eta vs tors. theta energy: -17.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -179.997009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.997009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.997009 (E_RNA)
where:
Base-Base interactions energy: -117.427
where: short stacking energy: -49.343
Base-Backbone interact. energy: -0.001
local terms energy: -62.568966
where:
bonds (distance) C4'-P energy: -11.939
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -9.708
flat angles P-C4'-P energy: -8.855
tors. eta vs tors. theta energy: -17.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -179.256303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.256303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.256303 (E_RNA)
where:
Base-Base interactions energy: -119.550
where: short stacking energy: -45.192
Base-Backbone interact. energy: -0.001
local terms energy: -59.705391
where:
bonds (distance) C4'-P energy: -12.646
bonds (distance) P-C4' energy: -11.692
flat angles C4'-P-C4' energy: -10.508
flat angles P-C4'-P energy: -9.820
tors. eta vs tors. theta energy: -15.039
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: 10
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -161.644685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.644685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.644685 (E_RNA)
where:
Base-Base interactions energy: -106.124
where: short stacking energy: -45.888
Base-Backbone interact. energy: -0.035
local terms energy: -55.484966
where:
bonds (distance) C4'-P energy: -11.943
bonds (distance) P-C4' energy: -10.996
flat angles C4'-P-C4' energy: -10.456
flat angles P-C4'-P energy: -8.680
tors. eta vs tors. theta energy: -13.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -159.828828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.828828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.828828 (E_RNA)
where:
Base-Base interactions energy: -103.285
where: short stacking energy: -33.896
Base-Backbone interact. energy: -0.699
local terms energy: -55.845052
where:
bonds (distance) C4'-P energy: -11.847
bonds (distance) P-C4' energy: -9.972
flat angles C4'-P-C4' energy: -15.013
flat angles P-C4'-P energy: -8.691
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: 6, replica: 4
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -68.696402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.696402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.696402 (E_RNA)
where:
Base-Base interactions energy: -27.609
where: short stacking energy: -18.706
Base-Backbone interact. energy: -0.171
local terms energy: -40.916897
where:
bonds (distance) C4'-P energy: -12.695
bonds (distance) P-C4' energy: -9.744
flat angles C4'-P-C4' energy: -7.578
flat angles P-C4'-P energy: -8.022
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: 7, replica: 7
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -80.495995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.495995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.495995 (E_RNA)
where:
Base-Base interactions energy: -25.893
where: short stacking energy: -25.893
Base-Backbone interact. energy: -0.078
local terms energy: -54.524229
where:
bonds (distance) C4'-P energy: -11.364
bonds (distance) P-C4' energy: -10.326
flat angles C4'-P-C4' energy: -13.895
flat angles P-C4'-P energy: -11.145
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: 5
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -61.116665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.116665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.116665 (E_RNA)
where:
Base-Base interactions energy: -20.202
where: short stacking energy: -17.853
Base-Backbone interact. energy: -0.064
local terms energy: -40.850538
where:
bonds (distance) C4'-P energy: -11.591
bonds (distance) P-C4' energy: -12.672
flat angles C4'-P-C4' energy: -10.532
flat angles P-C4'-P energy: -4.633
tors. eta vs tors. theta energy: -1.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -64.832656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.832656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.832656 (E_RNA)
where:
Base-Base interactions energy: -22.823
where: short stacking energy: -15.261
Base-Backbone interact. energy: -1.237
local terms energy: -40.773080
where:
bonds (distance) C4'-P energy: -12.671
bonds (distance) P-C4' energy: -8.947
flat angles C4'-P-C4' energy: -7.684
flat angles P-C4'-P energy: -7.769
tors. eta vs tors. theta energy: -3.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -71.279183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.279183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.279183 (E_RNA)
where:
Base-Base interactions energy: -25.389
where: short stacking energy: -17.562
Base-Backbone interact. energy: -0.223
local terms energy: -45.666461
where:
bonds (distance) C4'-P energy: -11.455
bonds (distance) P-C4' energy: -10.545
flat angles C4'-P-C4' energy: -14.427
flat angles P-C4'-P energy: -6.831
tors. eta vs tors. theta energy: -2.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -179.932988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.932988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.932988 (E_RNA)
where:
Base-Base interactions energy: -116.900
where: short stacking energy: -48.559
Base-Backbone interact. energy: -0.184
local terms energy: -62.848780
where:
bonds (distance) C4'-P energy: -11.959
bonds (distance) P-C4' energy: -12.205
flat angles C4'-P-C4' energy: -11.493
flat angles P-C4'-P energy: -10.329
tors. eta vs tors. theta energy: -16.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -184.806447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.806447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.806447 (E_RNA)
where:
Base-Base interactions energy: -117.363
where: short stacking energy: -52.729
Base-Backbone interact. energy: -0.029
local terms energy: -67.414944
where:
bonds (distance) C4'-P energy: -9.467
bonds (distance) P-C4' energy: -14.907
flat angles C4'-P-C4' energy: -13.919
flat angles P-C4'-P energy: -10.408
tors. eta vs tors. theta energy: -18.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -179.317201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.317201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.317201 (E_RNA)
where:
Base-Base interactions energy: -117.780
where: short stacking energy: -45.580
Base-Backbone interact. energy: -0.098
local terms energy: -61.438490
where:
bonds (distance) C4'-P energy: -13.065
bonds (distance) P-C4' energy: -13.042
flat angles C4'-P-C4' energy: -11.923
flat angles P-C4'-P energy: -6.331
tors. eta vs tors. theta energy: -17.078
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: 2
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -151.332973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.332973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.332973 (E_RNA)
where:
Base-Base interactions energy: -97.879
where: short stacking energy: -29.573
Base-Backbone interact. energy: -0.711
local terms energy: -52.742799
where:
bonds (distance) C4'-P energy: -12.771
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -11.995
flat angles P-C4'-P energy: -2.441
tors. eta vs tors. theta energy: -9.733
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: 10
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -168.781547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.781547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.781547 (E_RNA)
where:
Base-Base interactions energy: -108.364
where: short stacking energy: -48.531
Base-Backbone interact. energy: -0.018
local terms energy: -60.399338
where:
bonds (distance) C4'-P energy: -12.617
bonds (distance) P-C4' energy: -12.957
flat angles C4'-P-C4' energy: -9.110
flat angles P-C4'-P energy: -9.021
tors. eta vs tors. theta energy: -16.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -83.652607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.652607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.652607 (E_RNA)
where:
Base-Base interactions energy: -43.862
where: short stacking energy: -23.934
Base-Backbone interact. energy: -0.081
local terms energy: -39.709774
where:
bonds (distance) C4'-P energy: -10.970
bonds (distance) P-C4' energy: -9.307
flat angles C4'-P-C4' energy: -6.985
flat angles P-C4'-P energy: -7.598
tors. eta vs tors. theta energy: -4.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -71.234636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.234636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.234636 (E_RNA)
where:
Base-Base interactions energy: -31.066
where: short stacking energy: -21.965
Base-Backbone interact. energy: -0.035
local terms energy: -40.133080
where:
bonds (distance) C4'-P energy: -9.990
bonds (distance) P-C4' energy: -11.440
flat angles C4'-P-C4' energy: -11.289
flat angles P-C4'-P energy: -6.458
tors. eta vs tors. theta energy: -0.955
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: 8
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -65.466070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.466070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.466070 (E_RNA)
where:
Base-Base interactions energy: -25.089
where: short stacking energy: -21.453
Base-Backbone interact. energy: -0.189
local terms energy: -40.188346
where:
bonds (distance) C4'-P energy: -11.077
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -7.909
flat angles P-C4'-P energy: -6.627
tors. eta vs tors. theta energy: -0.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -66.085014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.085014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.085014 (E_RNA)
where:
Base-Base interactions energy: -25.415
where: short stacking energy: -6.039
Base-Backbone interact. energy: -0.338
local terms energy: -40.332234
where:
bonds (distance) C4'-P energy: -10.568
bonds (distance) P-C4' energy: -10.497
flat angles C4'-P-C4' energy: -12.772
flat angles P-C4'-P energy: -5.759
tors. eta vs tors. theta energy: -0.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -65.104494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.104494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.104494 (E_RNA)
where:
Base-Base interactions energy: -36.292
where: short stacking energy: -12.283
Base-Backbone interact. energy: 0.444
local terms energy: -29.256260
where:
bonds (distance) C4'-P energy: -7.761
bonds (distance) P-C4' energy: -5.374
flat angles C4'-P-C4' energy: -7.627
flat angles P-C4'-P energy: -7.517
tors. eta vs tors. theta energy: -0.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -178.925888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.925888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.925888 (E_RNA)
where:
Base-Base interactions energy: -114.742
where: short stacking energy: -48.033
Base-Backbone interact. energy: -0.003
local terms energy: -64.181171
where:
bonds (distance) C4'-P energy: -12.395
bonds (distance) P-C4' energy: -13.010
flat angles C4'-P-C4' energy: -14.293
flat angles P-C4'-P energy: -10.249
tors. eta vs tors. theta energy: -14.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -178.445662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.445662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.445662 (E_RNA)
where:
Base-Base interactions energy: -115.034
where: short stacking energy: -42.122
Base-Backbone interact. energy: -0.096
local terms energy: -63.315937
where:
bonds (distance) C4'-P energy: -12.597
bonds (distance) P-C4' energy: -13.572
flat angles C4'-P-C4' energy: -12.700
flat angles P-C4'-P energy: -8.728
tors. eta vs tors. theta energy: -15.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -176.743807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.743807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.743807 (E_RNA)
where:
Base-Base interactions energy: -113.336
where: short stacking energy: -47.130
Base-Backbone interact. energy: -0.003
local terms energy: -63.404901
where:
bonds (distance) C4'-P energy: -13.371
bonds (distance) P-C4' energy: -11.443
flat angles C4'-P-C4' energy: -15.102
flat angles P-C4'-P energy: -8.719
tors. eta vs tors. theta energy: -14.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -156.229829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.229829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.229829 (E_RNA)
where:
Base-Base interactions energy: -101.203
where: short stacking energy: -39.853
Base-Backbone interact. energy: -0.014
local terms energy: -55.013422
where:
bonds (distance) C4'-P energy: -13.222
bonds (distance) P-C4' energy: -13.039
flat angles C4'-P-C4' energy: -9.961
flat angles P-C4'-P energy: -4.500
tors. eta vs tors. theta energy: -14.291
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: 5, replica: 10
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -162.204701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.204701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.204701 (E_RNA)
where:
Base-Base interactions energy: -105.601
where: short stacking energy: -37.239
Base-Backbone interact. energy: -0.099
local terms energy: -56.505400
where:
bonds (distance) C4'-P energy: -12.075
bonds (distance) P-C4' energy: -8.912
flat angles C4'-P-C4' energy: -10.884
flat angles P-C4'-P energy: -10.948
tors. eta vs tors. theta energy: -13.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -71.242222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.242222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.242222 (E_RNA)
where:
Base-Base interactions energy: -21.122
where: short stacking energy: -21.122
Base-Backbone interact. energy: -0.055
local terms energy: -50.064944
where:
bonds (distance) C4'-P energy: -10.303
bonds (distance) P-C4' energy: -13.057
flat angles C4'-P-C4' energy: -6.770
flat angles P-C4'-P energy: -11.962
tors. eta vs tors. theta energy: -7.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -67.771378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.771378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.771378 (E_RNA)
where:
Base-Base interactions energy: -25.208
where: short stacking energy: -13.529
Base-Backbone interact. energy: 1.479
local terms energy: -44.042993
where:
bonds (distance) C4'-P energy: -12.597
bonds (distance) P-C4' energy: -15.813
flat angles C4'-P-C4' energy: -6.088
flat angles P-C4'-P energy: -6.586
tors. eta vs tors. theta energy: -2.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -62.463575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.463575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.463575 (E_RNA)
where:
Base-Base interactions energy: -18.905
where: short stacking energy: -18.905
Base-Backbone interact. energy: -0.471
local terms energy: -43.087641
where:
bonds (distance) C4'-P energy: -4.279
bonds (distance) P-C4' energy: -13.067
flat angles C4'-P-C4' energy: -13.819
flat angles P-C4'-P energy: -9.572
tors. eta vs tors. theta energy: -2.351
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: 5
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -76.414143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.414143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.414143 (E_RNA)
where:
Base-Base interactions energy: -35.265
where: short stacking energy: -19.731
Base-Backbone interact. energy: -0.083
local terms energy: -41.065746
where:
bonds (distance) C4'-P energy: -13.325
bonds (distance) P-C4' energy: -12.768
flat angles C4'-P-C4' energy: -7.885
flat angles P-C4'-P energy: -5.216
tors. eta vs tors. theta energy: -1.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -69.215712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.215712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.215712 (E_RNA)
where:
Base-Base interactions energy: -30.558
where: short stacking energy: -15.241
Base-Backbone interact. energy: 0.537
local terms energy: -39.194077
where:
bonds (distance) C4'-P energy: -11.189
bonds (distance) P-C4' energy: -9.687
flat angles C4'-P-C4' energy: -11.414
flat angles P-C4'-P energy: -6.401
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: 6
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -181.671049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.671049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.671049 (E_RNA)
where:
Base-Base interactions energy: -117.913
where: short stacking energy: -39.840
Base-Backbone interact. energy: -0.531
local terms energy: -63.227216
where:
bonds (distance) C4'-P energy: -11.814
bonds (distance) P-C4' energy: -12.829
flat angles C4'-P-C4' energy: -12.534
flat angles P-C4'-P energy: -8.795
tors. eta vs tors. theta energy: -17.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -175.283598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.283598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.283598 (E_RNA)
where:
Base-Base interactions energy: -112.867
where: short stacking energy: -41.800
Base-Backbone interact. energy: -0.047
local terms energy: -62.369731
where:
bonds (distance) C4'-P energy: -12.730
bonds (distance) P-C4' energy: -13.536
flat angles C4'-P-C4' energy: -12.782
flat angles P-C4'-P energy: -6.812
tors. eta vs tors. theta energy: -16.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -173.489880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.489880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.489880 (E_RNA)
where:
Base-Base interactions energy: -115.671
where: short stacking energy: -47.177
Base-Backbone interact. energy: -0.001
local terms energy: -57.818015
where:
bonds (distance) C4'-P energy: -11.619
bonds (distance) P-C4' energy: -11.016
flat angles C4'-P-C4' energy: -10.382
flat angles P-C4'-P energy: -8.963
tors. eta vs tors. theta energy: -15.839
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: 2
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -174.897989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.897989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.897989 (E_RNA)
where:
Base-Base interactions energy: -117.760
where: short stacking energy: -46.876
Base-Backbone interact. energy: -0.062
local terms energy: -57.075830
where:
bonds (distance) C4'-P energy: -12.208
bonds (distance) P-C4' energy: -8.658
flat angles C4'-P-C4' energy: -13.736
flat angles P-C4'-P energy: -8.305
tors. eta vs tors. theta energy: -14.168
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: 10
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -166.168224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.168224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.168224 (E_RNA)
where:
Base-Base interactions energy: -100.461
where: short stacking energy: -40.807
Base-Backbone interact. energy: -0.009
local terms energy: -65.698762
where:
bonds (distance) C4'-P energy: -12.609
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -14.639
flat angles P-C4'-P energy: -7.860
tors. eta vs tors. theta energy: -16.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -78.687088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.687088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.687088 (E_RNA)
where:
Base-Base interactions energy: -33.106
where: short stacking energy: -21.502
Base-Backbone interact. energy: -0.319
local terms energy: -45.262056
where:
bonds (distance) C4'-P energy: -7.429
bonds (distance) P-C4' energy: -13.254
flat angles C4'-P-C4' energy: -8.624
flat angles P-C4'-P energy: -10.132
tors. eta vs tors. theta energy: -5.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -79.449432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.449432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.449432 (E_RNA)
where:
Base-Base interactions energy: -31.769
where: short stacking energy: -19.024
Base-Backbone interact. energy: -0.287
local terms energy: -47.394126
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -13.209
flat angles C4'-P-C4' energy: -9.175
flat angles P-C4'-P energy: -6.843
tors. eta vs tors. theta energy: -3.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -58.870298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.870298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.870298 (E_RNA)
where:
Base-Base interactions energy: -30.660
where: short stacking energy: -1.573
Base-Backbone interact. energy: -0.308
local terms energy: -27.902771
where:
bonds (distance) C4'-P energy: -10.040
bonds (distance) P-C4' energy: -9.312
flat angles C4'-P-C4' energy: -8.648
flat angles P-C4'-P energy: -8.122
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: 9, replica: 4
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -59.717891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.717891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.717891 (E_RNA)
where:
Base-Base interactions energy: -19.350
where: short stacking energy: -15.862
Base-Backbone interact. energy: 0.712
local terms energy: -41.079302
where:
bonds (distance) C4'-P energy: -12.625
bonds (distance) P-C4' energy: -13.208
flat angles C4'-P-C4' energy: -9.402
flat angles P-C4'-P energy: -2.872
tors. eta vs tors. theta energy: -2.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -76.921709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.921709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.921709 (E_RNA)
where:
Base-Base interactions energy: -40.793
where: short stacking energy: -15.002
Base-Backbone interact. energy: -0.172
local terms energy: -35.956331
where:
bonds (distance) C4'-P energy: -10.763
bonds (distance) P-C4' energy: -8.699
flat angles C4'-P-C4' energy: -10.563
flat angles P-C4'-P energy: -3.224
tors. eta vs tors. theta energy: -2.708
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: 6
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -180.905048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.905048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.905048 (E_RNA)
where:
Base-Base interactions energy: -119.574
where: short stacking energy: -45.986
Base-Backbone interact. energy: -0.064
local terms energy: -61.266395
where:
bonds (distance) C4'-P energy: -12.829
bonds (distance) P-C4' energy: -10.634
flat angles C4'-P-C4' energy: -13.669
flat angles P-C4'-P energy: -6.471
tors. eta vs tors. theta energy: -17.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -169.223533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.223533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.223533 (E_RNA)
where:
Base-Base interactions energy: -115.610
where: short stacking energy: -42.650
Base-Backbone interact. energy: -0.085
local terms energy: -53.528702
where:
bonds (distance) C4'-P energy: -6.656
bonds (distance) P-C4' energy: -11.813
flat angles C4'-P-C4' energy: -11.601
flat angles P-C4'-P energy: -9.832
tors. eta vs tors. theta energy: -13.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -172.334759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.334759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.334759 (E_RNA)
where:
Base-Base interactions energy: -113.212
where: short stacking energy: -47.793
Base-Backbone interact. energy: -0.336
local terms energy: -58.786527
where:
bonds (distance) C4'-P energy: -8.390
bonds (distance) P-C4' energy: -12.870
flat angles C4'-P-C4' energy: -13.086
flat angles P-C4'-P energy: -7.826
tors. eta vs tors. theta energy: -16.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -172.811461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.811461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.811461 (E_RNA)
where:
Base-Base interactions energy: -117.828
where: short stacking energy: -48.705
Base-Backbone interact. energy: -0.018
local terms energy: -54.965606
where:
bonds (distance) C4'-P energy: -11.766
bonds (distance) P-C4' energy: -9.261
flat angles C4'-P-C4' energy: -12.806
flat angles P-C4'-P energy: -7.987
tors. eta vs tors. theta energy: -13.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -144.947786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.947786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.947786 (E_RNA)
where:
Base-Base interactions energy: -101.696
where: short stacking energy: -41.642
Base-Backbone interact. energy: -0.035
local terms energy: -43.217008
where:
bonds (distance) C4'-P energy: -9.513
bonds (distance) P-C4' energy: -4.297
flat angles C4'-P-C4' energy: -7.269
flat angles P-C4'-P energy: -9.942
tors. eta vs tors. theta energy: -12.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -93.661474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.661474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.661474 (E_RNA)
where:
Base-Base interactions energy: -47.841
where: short stacking energy: -21.435
Base-Backbone interact. energy: -0.199
local terms energy: -45.621636
where:
bonds (distance) C4'-P energy: -10.414
bonds (distance) P-C4' energy: -12.956
flat angles C4'-P-C4' energy: -10.843
flat angles P-C4'-P energy: -8.433
tors. eta vs tors. theta energy: -2.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -65.410581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.410581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.410581 (E_RNA)
where:
Base-Base interactions energy: -23.139
where: short stacking energy: -15.595
Base-Backbone interact. energy: 0.064
local terms energy: -42.335948
where:
bonds (distance) C4'-P energy: -10.593
bonds (distance) P-C4' energy: -10.355
flat angles C4'-P-C4' energy: -9.471
flat angles P-C4'-P energy: -8.542
tors. eta vs tors. theta energy: -3.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -64.703525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.703525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.703525 (E_RNA)
where:
Base-Base interactions energy: -26.556
where: short stacking energy: -11.372
Base-Backbone interact. energy: -0.033
local terms energy: -38.114711
where:
bonds (distance) C4'-P energy: -11.342
bonds (distance) P-C4' energy: -13.104
flat angles C4'-P-C4' energy: -11.829
flat angles P-C4'-P energy: -6.704
tors. eta vs tors. theta energy: 4.865
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: 9, replica: 4
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -64.762872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.762872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.762872 (E_RNA)
where:
Base-Base interactions energy: -24.671
where: short stacking energy: -14.553
Base-Backbone interact. energy: -0.341
local terms energy: -39.751301
where:
bonds (distance) C4'-P energy: -10.475
bonds (distance) P-C4' energy: -11.079
flat angles C4'-P-C4' energy: -10.922
flat angles P-C4'-P energy: -5.115
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: 10, replica: 9
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -60.940549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.940549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.940549 (E_RNA)
where:
Base-Base interactions energy: -25.420
where: short stacking energy: -14.732
Base-Backbone interact. energy: -0.794
local terms energy: -34.725913
where:
bonds (distance) C4'-P energy: -6.543
bonds (distance) P-C4' energy: -12.187
flat angles C4'-P-C4' energy: -9.720
flat angles P-C4'-P energy: -7.208
tors. eta vs tors. theta energy: 0.931
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: 6
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -174.946058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.946058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.946058 (E_RNA)
where:
Base-Base interactions energy: -113.222
where: short stacking energy: -46.801
Base-Backbone interact. energy: -0.188
local terms energy: -61.536033
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -10.524
flat angles C4'-P-C4' energy: -14.873
flat angles P-C4'-P energy: -8.725
tors. eta vs tors. theta energy: -14.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -181.176743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.176743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.176743 (E_RNA)
where:
Base-Base interactions energy: -113.547
where: short stacking energy: -54.682
Base-Backbone interact. energy: -0.008
local terms energy: -67.622610
where:
bonds (distance) C4'-P energy: -8.238
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -15.275
flat angles P-C4'-P energy: -10.730
tors. eta vs tors. theta energy: -19.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -177.444843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.444843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.444843 (E_RNA)
where:
Base-Base interactions energy: -118.129
where: short stacking energy: -44.969
Base-Backbone interact. energy: -0.075
local terms energy: -59.240689
where:
bonds (distance) C4'-P energy: -12.029
bonds (distance) P-C4' energy: -10.721
flat angles C4'-P-C4' energy: -10.485
flat angles P-C4'-P energy: -11.349
tors. eta vs tors. theta energy: -14.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -171.953474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.953474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.953474 (E_RNA)
where:
Base-Base interactions energy: -112.669
where: short stacking energy: -45.815
Base-Backbone interact. energy: -0.006
local terms energy: -59.277957
where:
bonds (distance) C4'-P energy: -8.700
bonds (distance) P-C4' energy: -11.760
flat angles C4'-P-C4' energy: -13.384
flat angles P-C4'-P energy: -8.124
tors. eta vs tors. theta energy: -17.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -116.465153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.465153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.465153 (E_RNA)
where:
Base-Base interactions energy: -65.827
where: short stacking energy: -28.276
Base-Backbone interact. energy: -0.004
local terms energy: -50.634143
where:
bonds (distance) C4'-P energy: -10.905
bonds (distance) P-C4' energy: -13.338
flat angles C4'-P-C4' energy: -10.150
flat angles P-C4'-P energy: -7.291
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: 6, replica: 8
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -68.288643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.288643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.288643 (E_RNA)
where:
Base-Base interactions energy: -22.128
where: short stacking energy: -22.128
Base-Backbone interact. energy: -0.076
local terms energy: -46.083983
where:
bonds (distance) C4'-P energy: -12.038
bonds (distance) P-C4' energy: -11.126
flat angles C4'-P-C4' energy: -9.175
flat angles P-C4'-P energy: -6.834
tors. eta vs tors. theta energy: -6.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -85.009039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.009039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.009039 (E_RNA)
where:
Base-Base interactions energy: -43.752
where: short stacking energy: -22.487
Base-Backbone interact. energy: 1.590
local terms energy: -42.847043
where:
bonds (distance) C4'-P energy: -12.014
bonds (distance) P-C4' energy: -13.343
flat angles C4'-P-C4' energy: -11.124
flat angles P-C4'-P energy: -6.614
tors. eta vs tors. theta energy: 0.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -62.684755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.684755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.684755 (E_RNA)
where:
Base-Base interactions energy: -19.087
where: short stacking energy: -17.412
Base-Backbone interact. energy: -0.036
local terms energy: -43.561785
where:
bonds (distance) C4'-P energy: -13.292
bonds (distance) P-C4' energy: -9.418
flat angles C4'-P-C4' energy: -10.090
flat angles P-C4'-P energy: -11.066
tors. eta vs tors. theta energy: 0.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -58.731625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.731625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.731625 (E_RNA)
where:
Base-Base interactions energy: -26.917
where: short stacking energy: -8.608
Base-Backbone interact. energy: 0.326
local terms energy: -32.141019
where:
bonds (distance) C4'-P energy: -8.870
bonds (distance) P-C4' energy: -7.954
flat angles C4'-P-C4' energy: -12.868
flat angles P-C4'-P energy: -3.633
tors. eta vs tors. theta energy: 1.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -64.898016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.898016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.898016 (E_RNA)
where:
Base-Base interactions energy: -29.913
where: short stacking energy: -24.711
Base-Backbone interact. energy: 0.260
local terms energy: -35.244414
where:
bonds (distance) C4'-P energy: -9.757
bonds (distance) P-C4' energy: -7.807
flat angles C4'-P-C4' energy: -7.095
flat angles P-C4'-P energy: -8.068
tors. eta vs tors. theta energy: -2.517
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: 2
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -178.512989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.512989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.512989 (E_RNA)
where:
Base-Base interactions energy: -119.617
where: short stacking energy: -43.169
Base-Backbone interact. energy: -0.128
local terms energy: -58.768866
where:
bonds (distance) C4'-P energy: -9.909
bonds (distance) P-C4' energy: -9.847
flat angles C4'-P-C4' energy: -11.364
flat angles P-C4'-P energy: -11.430
tors. eta vs tors. theta energy: -16.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -180.981215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.981215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.981215 (E_RNA)
where:
Base-Base interactions energy: -123.095
where: short stacking energy: -37.653
Base-Backbone interact. energy: -0.163
local terms energy: -57.722714
where:
bonds (distance) C4'-P energy: -10.381
bonds (distance) P-C4' energy: -13.269
flat angles C4'-P-C4' energy: -12.861
flat angles P-C4'-P energy: -10.364
tors. eta vs tors. theta energy: -10.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -179.595285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.595285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.595285 (E_RNA)
where:
Base-Base interactions energy: -122.403
where: short stacking energy: -34.959
Base-Backbone interact. energy: -0.156
local terms energy: -57.036185
where:
bonds (distance) C4'-P energy: -12.788
bonds (distance) P-C4' energy: -15.150
flat angles C4'-P-C4' energy: -11.691
flat angles P-C4'-P energy: -6.997
tors. eta vs tors. theta energy: -10.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -170.039889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.039889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.039889 (E_RNA)
where:
Base-Base interactions energy: -110.780
where: short stacking energy: -46.502
Base-Backbone interact. energy: -0.025
local terms energy: -59.234895
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -11.627
flat angles P-C4'-P energy: -5.242
tors. eta vs tors. theta energy: -15.287
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: 8
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -81.339071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.339071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.339071 (E_RNA)
where:
Base-Base interactions energy: -29.664
where: short stacking energy: -29.664
Base-Backbone interact. energy: -0.233
local terms energy: -51.442255
where:
bonds (distance) C4'-P energy: -9.008
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -12.599
flat angles P-C4'-P energy: -8.032
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: 6, replica: 10
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -119.668505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.668505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.668505 (E_RNA)
where:
Base-Base interactions energy: -71.545
where: short stacking energy: -30.888
Base-Backbone interact. energy: 0.286
local terms energy: -48.409378
where:
bonds (distance) C4'-P energy: -8.515
bonds (distance) P-C4' energy: -9.930
flat angles C4'-P-C4' energy: -13.463
flat angles P-C4'-P energy: -9.484
tors. eta vs tors. theta energy: -7.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -63.659729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.659729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.659729 (E_RNA)
where:
Base-Base interactions energy: -21.122
where: short stacking energy: -21.122
Base-Backbone interact. energy: -0.028
local terms energy: -42.510194
where:
bonds (distance) C4'-P energy: -9.608
bonds (distance) P-C4' energy: -14.110
flat angles C4'-P-C4' energy: -11.447
flat angles P-C4'-P energy: -4.269
tors. eta vs tors. theta energy: -3.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -64.435223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.435223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.435223 (E_RNA)
where:
Base-Base interactions energy: -23.569
where: short stacking energy: -18.732
Base-Backbone interact. energy: -0.073
local terms energy: -40.793033
where:
bonds (distance) C4'-P energy: -13.367
bonds (distance) P-C4' energy: -10.414
flat angles C4'-P-C4' energy: -9.897
flat angles P-C4'-P energy: -5.014
tors. eta vs tors. theta energy: -2.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -59.709960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.709960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.709960 (E_RNA)
where:
Base-Base interactions energy: -24.314
where: short stacking energy: -8.469
Base-Backbone interact. energy: -0.307
local terms energy: -35.088859
where:
bonds (distance) C4'-P energy: -13.176
bonds (distance) P-C4' energy: -9.935
flat angles C4'-P-C4' energy: -10.567
flat angles P-C4'-P energy: -6.197
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: 10, replica: 7
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -60.472237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.472237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.472237 (E_RNA)
where:
Base-Base interactions energy: -29.687
where: short stacking energy: -11.806
Base-Backbone interact. energy: -0.026
local terms energy: -30.758995
where:
bonds (distance) C4'-P energy: -9.961
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -2.509
flat angles P-C4'-P energy: -7.171
tors. eta vs tors. theta energy: 2.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -182.200848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.200848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.200848 (E_RNA)
where:
Base-Base interactions energy: -120.358
where: short stacking energy: -52.433
Base-Backbone interact. energy: -0.002
local terms energy: -61.840343
where:
bonds (distance) C4'-P energy: -13.842
bonds (distance) P-C4' energy: -11.899
flat angles C4'-P-C4' energy: -12.318
flat angles P-C4'-P energy: -5.903
tors. eta vs tors. theta energy: -17.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -177.568473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.568473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.568473 (E_RNA)
where:
Base-Base interactions energy: -119.938
where: short stacking energy: -50.770
Base-Backbone interact. energy: -0.032
local terms energy: -57.598788
where:
bonds (distance) C4'-P energy: -12.625
bonds (distance) P-C4' energy: -10.819
flat angles C4'-P-C4' energy: -11.513
flat angles P-C4'-P energy: -5.782
tors. eta vs tors. theta energy: -16.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -186.680511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.680511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.680511 (E_RNA)
where:
Base-Base interactions energy: -125.612
where: short stacking energy: -37.687
Base-Backbone interact. energy: -0.161
local terms energy: -60.907905
where:
bonds (distance) C4'-P energy: -11.658
bonds (distance) P-C4' energy: -12.423
flat angles C4'-P-C4' energy: -14.287
flat angles P-C4'-P energy: -10.366
tors. eta vs tors. theta energy: -12.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -179.956502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.956502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.956502 (E_RNA)
where:
Base-Base interactions energy: -117.653
where: short stacking energy: -47.571
Base-Backbone interact. energy: 0.202
local terms energy: -62.506239
where:
bonds (distance) C4'-P energy: -12.031
bonds (distance) P-C4' energy: -12.691
flat angles C4'-P-C4' energy: -13.357
flat angles P-C4'-P energy: -7.402
tors. eta vs tors. theta energy: -17.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -91.865178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.865178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.865178 (E_RNA)
where:
Base-Base interactions energy: -40.778
where: short stacking energy: -23.403
Base-Backbone interact. energy: 1.901
local terms energy: -52.987887
where:
bonds (distance) C4'-P energy: -13.756
bonds (distance) P-C4' energy: -13.172
flat angles C4'-P-C4' energy: -9.647
flat angles P-C4'-P energy: -9.712
tors. eta vs tors. theta energy: -6.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -137.271711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.271711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.271711 (E_RNA)
where:
Base-Base interactions energy: -87.895
where: short stacking energy: -31.224
Base-Backbone interact. energy: -0.325
local terms energy: -49.051733
where:
bonds (distance) C4'-P energy: -12.199
bonds (distance) P-C4' energy: -11.529
flat angles C4'-P-C4' energy: -9.855
flat angles P-C4'-P energy: -5.121
tors. eta vs tors. theta energy: -10.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -74.789755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.789755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.789755 (E_RNA)
where:
Base-Base interactions energy: -26.825
where: short stacking energy: -18.132
Base-Backbone interact. energy: -0.624
local terms energy: -47.341501
where:
bonds (distance) C4'-P energy: -14.090
bonds (distance) P-C4' energy: -14.439
flat angles C4'-P-C4' energy: -10.130
flat angles P-C4'-P energy: -5.858
tors. eta vs tors. theta energy: -2.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -62.953183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.953183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.953183 (E_RNA)
where:
Base-Base interactions energy: -21.698
where: short stacking energy: -13.188
Base-Backbone interact. energy: -0.338
local terms energy: -40.916616
where:
bonds (distance) C4'-P energy: -12.116
bonds (distance) P-C4' energy: -11.442
flat angles C4'-P-C4' energy: -12.941
flat angles P-C4'-P energy: -6.781
tors. eta vs tors. theta energy: 2.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -65.507418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.507418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.507418 (E_RNA)
where:
Base-Base interactions energy: -32.144
where: short stacking energy: -18.254
Base-Backbone interact. energy: 0.381
local terms energy: -33.743863
where:
bonds (distance) C4'-P energy: -8.605
bonds (distance) P-C4' energy: -7.882
flat angles C4'-P-C4' energy: -10.702
flat angles P-C4'-P energy: -4.499
tors. eta vs tors. theta energy: -2.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -68.589616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.589616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.589616 (E_RNA)
where:
Base-Base interactions energy: -27.169
where: short stacking energy: -10.965
Base-Backbone interact. energy: -1.526
local terms energy: -39.894291
where:
bonds (distance) C4'-P energy: -11.284
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -4.852
flat angles P-C4'-P energy: -7.616
tors. eta vs tors. theta energy: -1.557
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: 2
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -180.055800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.055800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.055800 (E_RNA)
where:
Base-Base interactions energy: -115.301
where: short stacking energy: -45.801
Base-Backbone interact. energy: -0.972
local terms energy: -63.782507
where:
bonds (distance) C4'-P energy: -13.483
bonds (distance) P-C4' energy: -13.800
flat angles C4'-P-C4' energy: -14.217
flat angles P-C4'-P energy: -7.793
tors. eta vs tors. theta energy: -14.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -176.911371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.911371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.911371 (E_RNA)
where:
Base-Base interactions energy: -113.791
where: short stacking energy: -46.339
Base-Backbone interact. energy: -0.098
local terms energy: -63.023268
where:
bonds (distance) C4'-P energy: -13.666
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -9.849
flat angles P-C4'-P energy: -11.352
tors. eta vs tors. theta energy: -13.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -174.091056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.091056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.091056 (E_RNA)
where:
Base-Base interactions energy: -110.749
where: short stacking energy: -45.843
Base-Backbone interact. energy: -0.082
local terms energy: -63.260065
where:
bonds (distance) C4'-P energy: -11.211
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -10.283
flat angles P-C4'-P energy: -10.102
tors. eta vs tors. theta energy: -18.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -171.740029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.740029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.740029 (E_RNA)
where:
Base-Base interactions energy: -106.810
where: short stacking energy: -38.494
Base-Backbone interact. energy: 0.181
local terms energy: -65.110484
where:
bonds (distance) C4'-P energy: -10.841
bonds (distance) P-C4' energy: -14.904
flat angles C4'-P-C4' energy: -12.405
flat angles P-C4'-P energy: -11.733
tors. eta vs tors. theta energy: -15.227
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: 362
Temperature: 1.100000
Total energy: -136.208352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.208352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.208352 (E_RNA)
where:
Base-Base interactions energy: -84.885
where: short stacking energy: -31.019
Base-Backbone interact. energy: -0.042
local terms energy: -51.281558
where:
bonds (distance) C4'-P energy: -13.640
bonds (distance) P-C4' energy: -12.257
flat angles C4'-P-C4' energy: -8.841
flat angles P-C4'-P energy: -9.728
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: 6, replica: 8
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -69.181991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.181991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.181991 (E_RNA)
where:
Base-Base interactions energy: -33.246
where: short stacking energy: -22.036
Base-Backbone interact. energy: -0.243
local terms energy: -35.692894
where:
bonds (distance) C4'-P energy: -9.089
bonds (distance) P-C4' energy: -8.830
flat angles C4'-P-C4' energy: -9.643
flat angles P-C4'-P energy: -8.554
tors. eta vs tors. theta energy: 0.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -86.550158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.550158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.550158 (E_RNA)
where:
Base-Base interactions energy: -43.613
where: short stacking energy: -18.019
Base-Backbone interact. energy: 0.106
local terms energy: -43.042926
where:
bonds (distance) C4'-P energy: -11.917
bonds (distance) P-C4' energy: -12.383
flat angles C4'-P-C4' energy: -8.941
flat angles P-C4'-P energy: -6.625
tors. eta vs tors. theta energy: -3.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -88.518602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.518602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.518602 (E_RNA)
where:
Base-Base interactions energy: -51.705
where: short stacking energy: -23.750
Base-Backbone interact. energy: -0.067
local terms energy: -36.746572
where:
bonds (distance) C4'-P energy: -9.012
bonds (distance) P-C4' energy: -11.588
flat angles C4'-P-C4' energy: -6.387
flat angles P-C4'-P energy: -4.423
tors. eta vs tors. theta energy: -5.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -59.808814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.808814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.808814 (E_RNA)
where:
Base-Base interactions energy: -13.963
where: short stacking energy: -2.185
Base-Backbone interact. energy: -0.863
local terms energy: -44.982603
where:
bonds (distance) C4'-P energy: -13.159
bonds (distance) P-C4' energy: -11.174
flat angles C4'-P-C4' energy: -15.378
flat angles P-C4'-P energy: -8.241
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: 10, replica: 4
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -56.932661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.932661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.932661 (E_RNA)
where:
Base-Base interactions energy: -20.987
where: short stacking energy: -20.748
Base-Backbone interact. energy: -0.034
local terms energy: -35.912231
where:
bonds (distance) C4'-P energy: -8.353
bonds (distance) P-C4' energy: -13.318
flat angles C4'-P-C4' energy: -6.800
flat angles P-C4'-P energy: -1.197
tors. eta vs tors. theta energy: -6.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -179.839920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.839920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.839920 (E_RNA)
where:
Base-Base interactions energy: -121.986
where: short stacking energy: -40.830
Base-Backbone interact. energy: -0.021
local terms energy: -57.832443
where:
bonds (distance) C4'-P energy: -12.857
bonds (distance) P-C4' energy: -11.937
flat angles C4'-P-C4' energy: -11.413
flat angles P-C4'-P energy: -6.492
tors. eta vs tors. theta energy: -15.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -178.209163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.209163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.209163 (E_RNA)
where:
Base-Base interactions energy: -117.498
where: short stacking energy: -46.811
Base-Backbone interact. energy: 0.260
local terms energy: -60.971208
where:
bonds (distance) C4'-P energy: -10.485
bonds (distance) P-C4' energy: -9.668
flat angles C4'-P-C4' energy: -14.795
flat angles P-C4'-P energy: -10.343
tors. eta vs tors. theta energy: -15.680
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: 6
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -171.824350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.824350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.824350 (E_RNA)
where:
Base-Base interactions energy: -109.067
where: short stacking energy: -46.110
Base-Backbone interact. energy: 0.856
local terms energy: -63.613261
where:
bonds (distance) C4'-P energy: -12.584
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -13.903
flat angles P-C4'-P energy: -8.070
tors. eta vs tors. theta energy: -15.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -173.039504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.039504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.039504 (E_RNA)
where:
Base-Base interactions energy: -111.437
where: short stacking energy: -41.128
Base-Backbone interact. energy: -0.049
local terms energy: -61.553281
where:
bonds (distance) C4'-P energy: -12.058
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -12.052
flat angles P-C4'-P energy: -10.408
tors. eta vs tors. theta energy: -12.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -90.532049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.532049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.532049 (E_RNA)
where:
Base-Base interactions energy: -46.920
where: short stacking energy: -15.953
Base-Backbone interact. energy: -0.139
local terms energy: -43.472960
where:
bonds (distance) C4'-P energy: -13.645
bonds (distance) P-C4' energy: -14.876
flat angles C4'-P-C4' energy: -5.204
flat angles P-C4'-P energy: -8.973
tors. eta vs tors. theta energy: -0.775
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: 363
Temperature: 1.150000
Total energy: -81.327736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.327736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.327736 (E_RNA)
where:
Base-Base interactions energy: -40.915
where: short stacking energy: -20.585
Base-Backbone interact. energy: -0.099
local terms energy: -40.313176
where:
bonds (distance) C4'-P energy: -12.115
bonds (distance) P-C4' energy: -8.423
flat angles C4'-P-C4' energy: -6.788
flat angles P-C4'-P energy: -6.451
tors. eta vs tors. theta energy: -6.535
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: 8
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -79.496795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.496795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.496795 (E_RNA)
where:
Base-Base interactions energy: -43.949
where: short stacking energy: -26.829
Base-Backbone interact. energy: -0.221
local terms energy: -35.326593
where:
bonds (distance) C4'-P energy: -3.696
bonds (distance) P-C4' energy: -9.661
flat angles C4'-P-C4' energy: -10.945
flat angles P-C4'-P energy: -5.613
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: 8, replica: 5
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -58.341045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.341045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.341045 (E_RNA)
where:
Base-Base interactions energy: -30.370
where: short stacking energy: -23.667
Base-Backbone interact. energy: 2.005
local terms energy: -29.976456
where:
bonds (distance) C4'-P energy: -7.379
bonds (distance) P-C4' energy: -6.117
flat angles C4'-P-C4' energy: -9.188
flat angles P-C4'-P energy: -6.649
tors. eta vs tors. theta energy: -0.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -59.122452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.122452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.122452 (E_RNA)
where:
Base-Base interactions energy: -17.273
where: short stacking energy: -9.148
Base-Backbone interact. energy: -0.054
local terms energy: -41.795847
where:
bonds (distance) C4'-P energy: -8.180
bonds (distance) P-C4' energy: -13.294
flat angles C4'-P-C4' energy: -9.447
flat angles P-C4'-P energy: -6.895
tors. eta vs tors. theta energy: -3.980
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: 4
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -53.194909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.194909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.194909 (E_RNA)
where:
Base-Base interactions energy: -9.203
where: short stacking energy: -7.633
Base-Backbone interact. energy: -0.110
local terms energy: -43.881902
where:
bonds (distance) C4'-P energy: -12.502
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -11.668
flat angles P-C4'-P energy: -6.312
tors. eta vs tors. theta energy: 1.418
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: 1, replica: 3
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -182.393790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.393790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.393790 (E_RNA)
where:
Base-Base interactions energy: -117.409
where: short stacking energy: -46.913
Base-Backbone interact. energy: -0.001
local terms energy: -64.983969
where:
bonds (distance) C4'-P energy: -11.632
bonds (distance) P-C4' energy: -13.126
flat angles C4'-P-C4' energy: -12.639
flat angles P-C4'-P energy: -9.062
tors. eta vs tors. theta energy: -18.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -179.547517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.547517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.547517 (E_RNA)
where:
Base-Base interactions energy: -120.517
where: short stacking energy: -40.797
Base-Backbone interact. energy: -0.063
local terms energy: -58.967650
where:
bonds (distance) C4'-P energy: -11.205
bonds (distance) P-C4' energy: -12.555
flat angles C4'-P-C4' energy: -9.834
flat angles P-C4'-P energy: -9.564
tors. eta vs tors. theta energy: -15.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -172.700645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.700645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.700645 (E_RNA)
where:
Base-Base interactions energy: -116.891
where: short stacking energy: -46.425
Base-Backbone interact. energy: -0.004
local terms energy: -55.804980
where:
bonds (distance) C4'-P energy: -11.426
bonds (distance) P-C4' energy: -10.463
flat angles C4'-P-C4' energy: -11.866
flat angles P-C4'-P energy: -6.200
tors. eta vs tors. theta energy: -15.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -171.748962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.748962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.748962 (E_RNA)
where:
Base-Base interactions energy: -109.018
where: short stacking energy: -44.537
Base-Backbone interact. energy: -0.013
local terms energy: -62.717441
where:
bonds (distance) C4'-P energy: -12.671
bonds (distance) P-C4' energy: -10.867
flat angles C4'-P-C4' energy: -13.515
flat angles P-C4'-P energy: -7.653
tors. eta vs tors. theta energy: -18.012
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: 5, replica: 9
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -90.632926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.632926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.632926 (E_RNA)
where:
Base-Base interactions energy: -44.430
where: short stacking energy: -29.559
Base-Backbone interact. energy: -0.116
local terms energy: -46.087014
where:
bonds (distance) C4'-P energy: -8.961
bonds (distance) P-C4' energy: -11.906
flat angles C4'-P-C4' energy: -12.023
flat angles P-C4'-P energy: -8.700
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: 6, replica: 10
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -70.968327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.968327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.968327 (E_RNA)
where:
Base-Base interactions energy: -23.711
where: short stacking energy: -16.192
Base-Backbone interact. energy: -0.101
local terms energy: -47.156128
where:
bonds (distance) C4'-P energy: -11.454
bonds (distance) P-C4' energy: -13.290
flat angles C4'-P-C4' energy: -8.815
flat angles P-C4'-P energy: -9.809
tors. eta vs tors. theta energy: -3.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -70.500248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.500248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.500248 (E_RNA)
where:
Base-Base interactions energy: -34.056
where: short stacking energy: -16.656
Base-Backbone interact. energy: -0.159
local terms energy: -36.285826
where:
bonds (distance) C4'-P energy: -8.721
bonds (distance) P-C4' energy: -9.909
flat angles C4'-P-C4' energy: -10.873
flat angles P-C4'-P energy: -5.837
tors. eta vs tors. theta energy: -0.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -77.802214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.802214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.802214 (E_RNA)
where:
Base-Base interactions energy: -34.609
where: short stacking energy: -11.747
Base-Backbone interact. energy: -0.204
local terms energy: -42.989563
where:
bonds (distance) C4'-P energy: -11.392
bonds (distance) P-C4' energy: -10.831
flat angles C4'-P-C4' energy: -11.248
flat angles P-C4'-P energy: -6.202
tors. eta vs tors. theta energy: -3.317
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: 4
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -69.954524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.954524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.954524 (E_RNA)
where:
Base-Base interactions energy: -29.978
where: short stacking energy: -10.214
Base-Backbone interact. energy: -0.042
local terms energy: -39.935379
where:
bonds (distance) C4'-P energy: -11.587
bonds (distance) P-C4' energy: -12.834
flat angles C4'-P-C4' energy: -9.124
flat angles P-C4'-P energy: -7.904
tors. eta vs tors. theta energy: 1.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -69.263045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.263045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.263045 (E_RNA)
where:
Base-Base interactions energy: -27.906
where: short stacking energy: -10.912
Base-Backbone interact. energy: -0.141
local terms energy: -41.216047
where:
bonds (distance) C4'-P energy: -11.128
bonds (distance) P-C4' energy: -5.073
flat angles C4'-P-C4' energy: -14.943
flat angles P-C4'-P energy: -9.102
tors. eta vs tors. theta energy: -0.970
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: 3
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -182.037454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.037454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.037454 (E_RNA)
where:
Base-Base interactions energy: -114.568
where: short stacking energy: -44.237
Base-Backbone interact. energy: -1.054
local terms energy: -66.415388
where:
bonds (distance) C4'-P energy: -12.973
bonds (distance) P-C4' energy: -14.058
flat angles C4'-P-C4' energy: -14.691
flat angles P-C4'-P energy: -9.426
tors. eta vs tors. theta energy: -15.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -183.912305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.912305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.912305 (E_RNA)
where:
Base-Base interactions energy: -116.276
where: short stacking energy: -46.415
Base-Backbone interact. energy: -0.009
local terms energy: -67.627333
where:
bonds (distance) C4'-P energy: -11.810
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -14.278
flat angles P-C4'-P energy: -9.420
tors. eta vs tors. theta energy: -17.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -176.925362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.925362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.925362 (E_RNA)
where:
Base-Base interactions energy: -114.194
where: short stacking energy: -37.376
Base-Backbone interact. energy: -0.024
local terms energy: -62.706819
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -12.183
flat angles C4'-P-C4' energy: -12.510
flat angles P-C4'-P energy: -11.848
tors. eta vs tors. theta energy: -12.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -171.857753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.857753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.857753 (E_RNA)
where:
Base-Base interactions energy: -115.522
where: short stacking energy: -41.837
Base-Backbone interact. energy: -0.109
local terms energy: -56.227117
where:
bonds (distance) C4'-P energy: -10.428
bonds (distance) P-C4' energy: -10.573
flat angles C4'-P-C4' energy: -11.348
flat angles P-C4'-P energy: -9.204
tors. eta vs tors. theta energy: -14.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -84.982957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.982957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.982957 (E_RNA)
where:
Base-Base interactions energy: -32.566
where: short stacking energy: -16.364
Base-Backbone interact. energy: -0.721
local terms energy: -51.696188
where:
bonds (distance) C4'-P energy: -13.302
bonds (distance) P-C4' energy: -13.395
flat angles C4'-P-C4' energy: -12.849
flat angles P-C4'-P energy: -10.814
tors. eta vs tors. theta energy: -1.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -71.578822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.578822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.578822 (E_RNA)
where:
Base-Base interactions energy: -31.631
where: short stacking energy: -24.792
Base-Backbone interact. energy: 1.438
local terms energy: -41.385777
where:
bonds (distance) C4'-P energy: -11.142
bonds (distance) P-C4' energy: -9.874
flat angles C4'-P-C4' energy: -6.832
flat angles P-C4'-P energy: -8.242
tors. eta vs tors. theta energy: -5.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -89.618578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.618578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.618578 (E_RNA)
where:
Base-Base interactions energy: -45.841
where: short stacking energy: -18.804
Base-Backbone interact. energy: -0.004
local terms energy: -43.773446
where:
bonds (distance) C4'-P energy: -9.135
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -11.875
flat angles P-C4'-P energy: -5.474
tors. eta vs tors. theta energy: -3.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -57.807588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.807588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.807588 (E_RNA)
where:
Base-Base interactions energy: -15.555
where: short stacking energy: -4.482
Base-Backbone interact. energy: 2.392
local terms energy: -44.644931
where:
bonds (distance) C4'-P energy: -12.543
bonds (distance) P-C4' energy: -12.867
flat angles C4'-P-C4' energy: -13.020
flat angles P-C4'-P energy: -8.998
tors. eta vs tors. theta energy: 2.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -54.582097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.582097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.582097 (E_RNA)
where:
Base-Base interactions energy: -17.553
where: short stacking energy: -8.502
Base-Backbone interact. energy: -0.052
local terms energy: -36.976941
where:
bonds (distance) C4'-P energy: -7.187
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -11.519
flat angles P-C4'-P energy: -5.151
tors. eta vs tors. theta energy: 1.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -60.364013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.364013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.364013 (E_RNA)
where:
Base-Base interactions energy: -23.000
where: short stacking energy: -16.450
Base-Backbone interact. energy: -0.242
local terms energy: -37.122392
where:
bonds (distance) C4'-P energy: -13.160
bonds (distance) P-C4' energy: -9.455
flat angles C4'-P-C4' energy: -8.043
flat angles P-C4'-P energy: -5.728
tors. eta vs tors. theta energy: -0.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -183.757558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.757558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.757558 (E_RNA)
where:
Base-Base interactions energy: -119.204
where: short stacking energy: -52.780
Base-Backbone interact. energy: -0.009
local terms energy: -64.544364
where:
bonds (distance) C4'-P energy: -12.365
bonds (distance) P-C4' energy: -12.263
flat angles C4'-P-C4' energy: -13.143
flat angles P-C4'-P energy: -9.132
tors. eta vs tors. theta energy: -17.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -182.365883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.365883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.365883 (E_RNA)
where:
Base-Base interactions energy: -117.579
where: short stacking energy: -51.580
Base-Backbone interact. energy: -0.039
local terms energy: -64.748141
where:
bonds (distance) C4'-P energy: -13.806
bonds (distance) P-C4' energy: -13.367
flat angles C4'-P-C4' energy: -12.380
flat angles P-C4'-P energy: -7.610
tors. eta vs tors. theta energy: -17.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -177.416314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.416314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.416314 (E_RNA)
where:
Base-Base interactions energy: -113.061
where: short stacking energy: -44.761
Base-Backbone interact. energy: -0.003
local terms energy: -64.352044
where:
bonds (distance) C4'-P energy: -12.821
bonds (distance) P-C4' energy: -12.374
flat angles C4'-P-C4' energy: -13.599
flat angles P-C4'-P energy: -10.513
tors. eta vs tors. theta energy: -15.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -176.336068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.336068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.336068 (E_RNA)
where:
Base-Base interactions energy: -115.559
where: short stacking energy: -44.162
Base-Backbone interact. energy: -0.015
local terms energy: -60.762315
where:
bonds (distance) C4'-P energy: -10.088
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -10.056
flat angles P-C4'-P energy: -8.665
tors. eta vs tors. theta energy: -16.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -73.865278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.865278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.865278 (E_RNA)
where:
Base-Base interactions energy: -32.449
where: short stacking energy: -20.529
Base-Backbone interact. energy: 2.277
local terms energy: -43.693304
where:
bonds (distance) C4'-P energy: -11.714
bonds (distance) P-C4' energy: -12.010
flat angles C4'-P-C4' energy: -9.144
flat angles P-C4'-P energy: -10.648
tors. eta vs tors. theta energy: -0.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -72.625966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.625966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.625966 (E_RNA)
where:
Base-Base interactions energy: -33.361
where: short stacking energy: -13.223
Base-Backbone interact. energy: -0.284
local terms energy: -38.980158
where:
bonds (distance) C4'-P energy: -9.261
bonds (distance) P-C4' energy: -14.579
flat angles C4'-P-C4' energy: -8.852
flat angles P-C4'-P energy: -6.635
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: 7, replica: 4
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -80.802168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.802168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.802168 (E_RNA)
where:
Base-Base interactions energy: -41.620
where: short stacking energy: -10.374
Base-Backbone interact. energy: -0.364
local terms energy: -38.818136
where:
bonds (distance) C4'-P energy: -12.543
bonds (distance) P-C4' energy: -9.858
flat angles C4'-P-C4' energy: -11.373
flat angles P-C4'-P energy: -6.808
tors. eta vs tors. theta energy: 1.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -66.685257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.685257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.685257 (E_RNA)
where:
Base-Base interactions energy: -31.392
where: short stacking energy: -14.384
Base-Backbone interact. energy: -0.140
local terms energy: -35.152940
where:
bonds (distance) C4'-P energy: -9.595
bonds (distance) P-C4' energy: -12.105
flat angles C4'-P-C4' energy: -8.851
flat angles P-C4'-P energy: -8.427
tors. eta vs tors. theta energy: 3.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -63.546783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.546783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.546783 (E_RNA)
where:
Base-Base interactions energy: -28.929
where: short stacking energy: -23.657
Base-Backbone interact. energy: -0.155
local terms energy: -34.462814
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -10.966
flat angles C4'-P-C4' energy: -7.698
flat angles P-C4'-P energy: -1.897
tors. eta vs tors. theta energy: -2.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -59.249697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.249697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.249697 (E_RNA)
where:
Base-Base interactions energy: -23.146
where: short stacking energy: -7.890
Base-Backbone interact. energy: -0.530
local terms energy: -35.573061
where:
bonds (distance) C4'-P energy: -12.104
bonds (distance) P-C4' energy: -8.804
flat angles C4'-P-C4' energy: -11.833
flat angles P-C4'-P energy: -8.746
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: 1
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -182.620682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.620682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.620682 (E_RNA)
where:
Base-Base interactions energy: -120.443
where: short stacking energy: -48.476
Base-Backbone interact. energy: -0.020
local terms energy: -62.156698
where:
bonds (distance) C4'-P energy: -13.797
bonds (distance) P-C4' energy: -7.362
flat angles C4'-P-C4' energy: -13.453
flat angles P-C4'-P energy: -10.166
tors. eta vs tors. theta energy: -17.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -176.443727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.443727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.443727 (E_RNA)
where:
Base-Base interactions energy: -118.707
where: short stacking energy: -46.320
Base-Backbone interact. energy: -0.007
local terms energy: -57.729953
where:
bonds (distance) C4'-P energy: -12.767
bonds (distance) P-C4' energy: -9.296
flat angles C4'-P-C4' energy: -13.427
flat angles P-C4'-P energy: -8.346
tors. eta vs tors. theta energy: -13.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -178.499421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.499421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.499421 (E_RNA)
where:
Base-Base interactions energy: -116.997
where: short stacking energy: -46.306
Base-Backbone interact. energy: -0.584
local terms energy: -60.918749
where:
bonds (distance) C4'-P energy: -10.166
bonds (distance) P-C4' energy: -12.370
flat angles C4'-P-C4' energy: -12.544
flat angles P-C4'-P energy: -7.454
tors. eta vs tors. theta energy: -18.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -179.565946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.565946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.565946 (E_RNA)
where:
Base-Base interactions energy: -116.991
where: short stacking energy: -49.252
Base-Backbone interact. energy: -0.008
local terms energy: -62.566598
where:
bonds (distance) C4'-P energy: -12.953
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -11.957
flat angles P-C4'-P energy: -4.351
tors. eta vs tors. theta energy: -19.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -77.387992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.387992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.387992 (E_RNA)
where:
Base-Base interactions energy: -30.983
where: short stacking energy: -23.627
Base-Backbone interact. energy: -0.066
local terms energy: -46.339102
where:
bonds (distance) C4'-P energy: -13.872
bonds (distance) P-C4' energy: -13.119
flat angles C4'-P-C4' energy: -9.853
flat angles P-C4'-P energy: -6.822
tors. eta vs tors. theta energy: -2.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -89.826040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.826040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.826040 (E_RNA)
where:
Base-Base interactions energy: -42.662
where: short stacking energy: -19.587
Base-Backbone interact. energy: -1.550
local terms energy: -45.613547
where:
bonds (distance) C4'-P energy: -12.605
bonds (distance) P-C4' energy: -12.451
flat angles C4'-P-C4' energy: -9.142
flat angles P-C4'-P energy: -7.358
tors. eta vs tors. theta energy: -4.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -80.935892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.935892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.935892 (E_RNA)
where:
Base-Base interactions energy: -47.124
where: short stacking energy: -19.635
Base-Backbone interact. energy: -0.162
local terms energy: -33.650420
where:
bonds (distance) C4'-P energy: -9.056
bonds (distance) P-C4' energy: -9.992
flat angles C4'-P-C4' energy: -9.431
flat angles P-C4'-P energy: -3.916
tors. eta vs tors. theta energy: -1.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -77.440322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.440322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.440322 (E_RNA)
where:
Base-Base interactions energy: -37.691
where: short stacking energy: -14.307
Base-Backbone interact. energy: -0.374
local terms energy: -39.375374
where:
bonds (distance) C4'-P energy: -9.736
bonds (distance) P-C4' energy: -11.405
flat angles C4'-P-C4' energy: -9.924
flat angles P-C4'-P energy: -6.767
tors. eta vs tors. theta energy: -1.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -61.536187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.536187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.536187 (E_RNA)
where:
Base-Base interactions energy: -18.575
where: short stacking energy: -12.140
Base-Backbone interact. energy: -0.086
local terms energy: -42.874999
where:
bonds (distance) C4'-P energy: -13.541
bonds (distance) P-C4' energy: -11.282
flat angles C4'-P-C4' energy: -10.216
flat angles P-C4'-P energy: -10.748
tors. eta vs tors. theta energy: 2.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -60.831144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.831144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.831144 (E_RNA)
where:
Base-Base interactions energy: -22.780
where: short stacking energy: -19.364
Base-Backbone interact. energy: -0.052
local terms energy: -37.999068
where:
bonds (distance) C4'-P energy: -9.304
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -8.068
flat angles P-C4'-P energy: -3.075
tors. eta vs tors. theta energy: -2.451
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: 1
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -181.003767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.003767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.003767 (E_RNA)
where:
Base-Base interactions energy: -116.292
where: short stacking energy: -44.023
Base-Backbone interact. energy: -0.082
local terms energy: -64.629837
where:
bonds (distance) C4'-P energy: -13.942
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -11.514
flat angles P-C4'-P energy: -10.103
tors. eta vs tors. theta energy: -14.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -176.186847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.186847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.186847 (E_RNA)
where:
Base-Base interactions energy: -118.360
where: short stacking energy: -38.665
Base-Backbone interact. energy: -0.391
local terms energy: -57.436509
where:
bonds (distance) C4'-P energy: -8.949
bonds (distance) P-C4' energy: -12.374
flat angles C4'-P-C4' energy: -14.348
flat angles P-C4'-P energy: -8.168
tors. eta vs tors. theta energy: -13.598
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: 6
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -173.177413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.177413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.177413 (E_RNA)
where:
Base-Base interactions energy: -114.817
where: short stacking energy: -46.132
Base-Backbone interact. energy: -0.155
local terms energy: -58.206071
where:
bonds (distance) C4'-P energy: -8.825
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -13.562
flat angles P-C4'-P energy: -8.683
tors. eta vs tors. theta energy: -13.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -171.856075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.856075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.856075 (E_RNA)
where:
Base-Base interactions energy: -115.020
where: short stacking energy: -41.155
Base-Backbone interact. energy: -0.038
local terms energy: -56.797828
where:
bonds (distance) C4'-P energy: -13.896
bonds (distance) P-C4' energy: -11.063
flat angles C4'-P-C4' energy: -10.330
flat angles P-C4'-P energy: -6.999
tors. eta vs tors. theta energy: -14.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -103.125905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.125905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.125905 (E_RNA)
where:
Base-Base interactions energy: -55.928
where: short stacking energy: -19.342
Base-Backbone interact. energy: -0.115
local terms energy: -47.083414
where:
bonds (distance) C4'-P energy: -11.814
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -11.714
flat angles P-C4'-P energy: -9.003
tors. eta vs tors. theta energy: -0.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -70.688800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.688800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.688800 (E_RNA)
where:
Base-Base interactions energy: -28.951
where: short stacking energy: -13.108
Base-Backbone interact. energy: -0.029
local terms energy: -41.709520
where:
bonds (distance) C4'-P energy: -3.902
bonds (distance) P-C4' energy: -12.559
flat angles C4'-P-C4' energy: -11.845
flat angles P-C4'-P energy: -8.275
tors. eta vs tors. theta energy: -5.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -93.744942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.744942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.744942 (E_RNA)
where:
Base-Base interactions energy: -55.960
where: short stacking energy: -19.460
Base-Backbone interact. energy: -2.424
local terms energy: -35.361083
where:
bonds (distance) C4'-P energy: -8.664
bonds (distance) P-C4' energy: -10.576
flat angles C4'-P-C4' energy: -8.979
flat angles P-C4'-P energy: -5.226
tors. eta vs tors. theta energy: -1.916
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: 8, replica: 7
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -62.089854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.089854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.089854 (E_RNA)
where:
Base-Base interactions energy: -24.576
where: short stacking energy: -13.322
Base-Backbone interact. energy: 0.371
local terms energy: -37.885310
where:
bonds (distance) C4'-P energy: -12.182
bonds (distance) P-C4' energy: -9.182
flat angles C4'-P-C4' energy: -12.480
flat angles P-C4'-P energy: -5.679
tors. eta vs tors. theta energy: 1.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -67.638042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.638042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.638042 (E_RNA)
where:
Base-Base interactions energy: -31.730
where: short stacking energy: -13.215
Base-Backbone interact. energy: 0.304
local terms energy: -36.211815
where:
bonds (distance) C4'-P energy: -10.817
bonds (distance) P-C4' energy: -8.741
flat angles C4'-P-C4' energy: -8.304
flat angles P-C4'-P energy: -7.871
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: 368
Temperature: 1.350000
Total energy: -62.906957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.906957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.906957 (E_RNA)
where:
Base-Base interactions energy: -33.948
where: short stacking energy: -11.874
Base-Backbone interact. energy: -0.055
local terms energy: -28.904779
where:
bonds (distance) C4'-P energy: -10.319
bonds (distance) P-C4' energy: -12.757
flat angles C4'-P-C4' energy: -7.853
flat angles P-C4'-P energy: -0.421
tors. eta vs tors. theta energy: 2.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -173.421279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.421279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.421279 (E_RNA)
where:
Base-Base interactions energy: -114.013
where: short stacking energy: -43.989
Base-Backbone interact. energy: -0.286
local terms energy: -59.121409
where:
bonds (distance) C4'-P energy: -11.987
bonds (distance) P-C4' energy: -12.975
flat angles C4'-P-C4' energy: -11.617
flat angles P-C4'-P energy: -7.529
tors. eta vs tors. theta energy: -15.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -179.281284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.281284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.281284 (E_RNA)
where:
Base-Base interactions energy: -117.914
where: short stacking energy: -50.780
Base-Backbone interact. energy: -0.047
local terms energy: -61.320811
where:
bonds (distance) C4'-P energy: -10.813
bonds (distance) P-C4' energy: -13.784
flat angles C4'-P-C4' energy: -13.204
flat angles P-C4'-P energy: -9.476
tors. eta vs tors. theta energy: -14.044
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: 2
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -176.680467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.680467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.680467 (E_RNA)
where:
Base-Base interactions energy: -108.869
where: short stacking energy: -42.618
Base-Backbone interact. energy: -0.728
local terms energy: -67.083690
where:
bonds (distance) C4'-P energy: -11.578
bonds (distance) P-C4' energy: -13.867
flat angles C4'-P-C4' energy: -15.758
flat angles P-C4'-P energy: -9.912
tors. eta vs tors. theta energy: -15.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -167.144430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.144430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.144430 (E_RNA)
where:
Base-Base interactions energy: -108.764
where: short stacking energy: -41.420
Base-Backbone interact. energy: -0.076
local terms energy: -58.305356
where:
bonds (distance) C4'-P energy: -10.652
bonds (distance) P-C4' energy: -11.847
flat angles C4'-P-C4' energy: -13.814
flat angles P-C4'-P energy: -7.291
tors. eta vs tors. theta energy: -14.701
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: 5, replica: 4
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -79.172148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.172148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.172148 (E_RNA)
where:
Base-Base interactions energy: -31.316
where: short stacking energy: -25.346
Base-Backbone interact. energy: -0.204
local terms energy: -47.651625
where:
bonds (distance) C4'-P energy: -13.065
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -12.186
flat angles P-C4'-P energy: -5.407
tors. eta vs tors. theta energy: -2.370
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: 9
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -110.334410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.334410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.334410 (E_RNA)
where:
Base-Base interactions energy: -63.984
where: short stacking energy: -16.488
Base-Backbone interact. energy: -0.269
local terms energy: -46.080950
where:
bonds (distance) C4'-P energy: -12.775
bonds (distance) P-C4' energy: -12.817
flat angles C4'-P-C4' energy: -8.167
flat angles P-C4'-P energy: -7.687
tors. eta vs tors. theta energy: -4.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -79.023659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.023659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.023659 (E_RNA)
where:
Base-Base interactions energy: -31.837
where: short stacking energy: -19.240
Base-Backbone interact. energy: -0.065
local terms energy: -47.121792
where:
bonds (distance) C4'-P energy: -12.034
bonds (distance) P-C4' energy: -9.876
flat angles C4'-P-C4' energy: -12.359
flat angles P-C4'-P energy: -7.166
tors. eta vs tors. theta energy: -5.686
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: 8, replica: 5
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -80.713786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.713786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.713786 (E_RNA)
where:
Base-Base interactions energy: -40.706
where: short stacking energy: -7.843
Base-Backbone interact. energy: -0.715
local terms energy: -39.293160
where:
bonds (distance) C4'-P energy: -9.492
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -11.093
flat angles P-C4'-P energy: -7.126
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: 9, replica: 7
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -65.837472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.837472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.837472 (E_RNA)
where:
Base-Base interactions energy: -22.994
where: short stacking energy: -19.697
Base-Backbone interact. energy: -0.065
local terms energy: -42.779155
where:
bonds (distance) C4'-P energy: -13.044
bonds (distance) P-C4' energy: -8.907
flat angles C4'-P-C4' energy: -11.296
flat angles P-C4'-P energy: -1.337
tors. eta vs tors. theta energy: -8.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -64.590070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.590070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.590070 (E_RNA)
where:
Base-Base interactions energy: -20.609
where: short stacking energy: -17.290
Base-Backbone interact. energy: -0.017
local terms energy: -43.964032
where:
bonds (distance) C4'-P energy: -13.292
bonds (distance) P-C4' energy: -7.971
flat angles C4'-P-C4' energy: -10.725
flat angles P-C4'-P energy: -6.714
tors. eta vs tors. theta energy: -5.263
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: 6
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -180.437419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.437419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.437419 (E_RNA)
where:
Base-Base interactions energy: -119.197
where: short stacking energy: -43.810
Base-Backbone interact. energy: -0.007
local terms energy: -61.232770
where:
bonds (distance) C4'-P energy: -14.555
bonds (distance) P-C4' energy: -11.257
flat angles C4'-P-C4' energy: -10.543
flat angles P-C4'-P energy: -6.970
tors. eta vs tors. theta energy: -17.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -178.409165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.409165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.409165 (E_RNA)
where:
Base-Base interactions energy: -114.343
where: short stacking energy: -47.785
Base-Backbone interact. energy: -0.033
local terms energy: -64.032718
where:
bonds (distance) C4'-P energy: -11.579
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -13.358
flat angles P-C4'-P energy: -8.124
tors. eta vs tors. theta energy: -16.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -177.003543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.003543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.003543 (E_RNA)
where:
Base-Base interactions energy: -117.596
where: short stacking energy: -42.941
Base-Backbone interact. energy: -0.153
local terms energy: -59.254513
where:
bonds (distance) C4'-P energy: -12.220
bonds (distance) P-C4' energy: -13.984
flat angles C4'-P-C4' energy: -7.728
flat angles P-C4'-P energy: -6.525
tors. eta vs tors. theta energy: -18.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -171.778886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.778886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.778886 (E_RNA)
where:
Base-Base interactions energy: -109.334
where: short stacking energy: -37.635
Base-Backbone interact. energy: -0.023
local terms energy: -62.421561
where:
bonds (distance) C4'-P energy: -10.220
bonds (distance) P-C4' energy: -11.616
flat angles C4'-P-C4' energy: -14.789
flat angles P-C4'-P energy: -10.833
tors. eta vs tors. theta energy: -14.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -110.501766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.501766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.501766 (E_RNA)
where:
Base-Base interactions energy: -57.091
where: short stacking energy: -27.666
Base-Backbone interact. energy: -0.083
local terms energy: -53.327980
where:
bonds (distance) C4'-P energy: -12.697
bonds (distance) P-C4' energy: -14.131
flat angles C4'-P-C4' energy: -12.181
flat angles P-C4'-P energy: -5.474
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: 6, replica: 4
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -78.692436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.692436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.692436 (E_RNA)
where:
Base-Base interactions energy: -37.707
where: short stacking energy: -11.751
Base-Backbone interact. energy: -0.046
local terms energy: -40.939937
where:
bonds (distance) C4'-P energy: -11.536
bonds (distance) P-C4' energy: -12.123
flat angles C4'-P-C4' energy: -8.573
flat angles P-C4'-P energy: -9.590
tors. eta vs tors. theta energy: 0.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -67.897131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.897131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.897131 (E_RNA)
where:
Base-Base interactions energy: -30.967
where: short stacking energy: -16.238
Base-Backbone interact. energy: -0.069
local terms energy: -36.861263
where:
bonds (distance) C4'-P energy: -9.380
bonds (distance) P-C4' energy: -12.608
flat angles C4'-P-C4' energy: -9.113
flat angles P-C4'-P energy: -6.543
tors. eta vs tors. theta energy: 0.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -65.330739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.330739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.330739 (E_RNA)
where:
Base-Base interactions energy: -25.008
where: short stacking energy: -16.640
Base-Backbone interact. energy: 0.745
local terms energy: -41.067477
where:
bonds (distance) C4'-P energy: -9.954
bonds (distance) P-C4' energy: -13.864
flat angles C4'-P-C4' energy: -9.645
flat angles P-C4'-P energy: -6.052
tors. eta vs tors. theta energy: -1.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -72.744890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.744890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.744890 (E_RNA)
where:
Base-Base interactions energy: -31.293
where: short stacking energy: -10.438
Base-Backbone interact. energy: -0.027
local terms energy: -41.424609
where:
bonds (distance) C4'-P energy: -12.406
bonds (distance) P-C4' energy: -13.018
flat angles C4'-P-C4' energy: -10.782
flat angles P-C4'-P energy: -3.115
tors. eta vs tors. theta energy: -2.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -57.772770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.772770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.772770 (E_RNA)
where:
Base-Base interactions energy: -21.336
where: short stacking energy: -6.624
Base-Backbone interact. energy: 1.588
local terms energy: -38.024383
where:
bonds (distance) C4'-P energy: -10.585
bonds (distance) P-C4' energy: -10.166
flat angles C4'-P-C4' energy: -10.182
flat angles P-C4'-P energy: -8.211
tors. eta vs tors. theta energy: 1.119
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: 6
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -182.026003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.026003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.026003 (E_RNA)
where:
Base-Base interactions energy: -118.834
where: short stacking energy: -45.053
Base-Backbone interact. energy: -0.107
local terms energy: -63.085180
where:
bonds (distance) C4'-P energy: -11.549
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -12.923
flat angles P-C4'-P energy: -9.407
tors. eta vs tors. theta energy: -15.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -181.048216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.048216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.048216 (E_RNA)
where:
Base-Base interactions energy: -118.107
where: short stacking energy: -43.841
Base-Backbone interact. energy: -0.823
local terms energy: -62.118311
where:
bonds (distance) C4'-P energy: -12.088
bonds (distance) P-C4' energy: -12.349
flat angles C4'-P-C4' energy: -13.295
flat angles P-C4'-P energy: -8.223
tors. eta vs tors. theta energy: -16.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -173.348610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.348610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.348610 (E_RNA)
where:
Base-Base interactions energy: -113.128
where: short stacking energy: -46.267
Base-Backbone interact. energy: -0.111
local terms energy: -60.109921
where:
bonds (distance) C4'-P energy: -12.217
bonds (distance) P-C4' energy: -13.644
flat angles C4'-P-C4' energy: -12.578
flat angles P-C4'-P energy: -5.756
tors. eta vs tors. theta energy: -15.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -178.936278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.936278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.936278 (E_RNA)
where:
Base-Base interactions energy: -117.260
where: short stacking energy: -43.883
Base-Backbone interact. energy: -0.827
local terms energy: -60.849077
where:
bonds (distance) C4'-P energy: -9.138
bonds (distance) P-C4' energy: -11.387
flat angles C4'-P-C4' energy: -12.681
flat angles P-C4'-P energy: -8.842
tors. eta vs tors. theta energy: -18.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -97.546934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.546934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.546934 (E_RNA)
where:
Base-Base interactions energy: -55.914
where: short stacking energy: -20.692
Base-Backbone interact. energy: -0.148
local terms energy: -41.484610
where:
bonds (distance) C4'-P energy: -9.740
bonds (distance) P-C4' energy: -11.178
flat angles C4'-P-C4' energy: -12.376
flat angles P-C4'-P energy: -7.049
tors. eta vs tors. theta energy: -1.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -68.709514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.709514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.709514 (E_RNA)
where:
Base-Base interactions energy: -27.520
where: short stacking energy: -16.495
Base-Backbone interact. energy: -0.097
local terms energy: -41.092642
where:
bonds (distance) C4'-P energy: -10.921
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -10.812
flat angles P-C4'-P energy: -8.110
tors. eta vs tors. theta energy: 2.776
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: 5
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -78.800830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.800830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.800830 (E_RNA)
where:
Base-Base interactions energy: -31.878
where: short stacking energy: -16.946
Base-Backbone interact. energy: -0.797
local terms energy: -46.125605
where:
bonds (distance) C4'-P energy: -3.488
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -13.891
flat angles P-C4'-P energy: -9.091
tors. eta vs tors. theta energy: -5.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -74.011516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.011516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.011516 (E_RNA)
where:
Base-Base interactions energy: -35.899
where: short stacking energy: -17.105
Base-Backbone interact. energy: 0.152
local terms energy: -38.263762
where:
bonds (distance) C4'-P energy: -11.694
bonds (distance) P-C4' energy: -15.115
flat angles C4'-P-C4' energy: -6.786
flat angles P-C4'-P energy: -3.112
tors. eta vs tors. theta energy: -1.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -72.029837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.029837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.029837 (E_RNA)
where:
Base-Base interactions energy: -29.127
where: short stacking energy: -14.124
Base-Backbone interact. energy: -0.166
local terms energy: -42.737393
where:
bonds (distance) C4'-P energy: -10.063
bonds (distance) P-C4' energy: -11.405
flat angles C4'-P-C4' energy: -10.949
flat angles P-C4'-P energy: -6.964
tors. eta vs tors. theta energy: -3.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -58.735076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.735076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.735076 (E_RNA)
where:
Base-Base interactions energy: -16.566
where: short stacking energy: -11.506
Base-Backbone interact. energy: -0.131
local terms energy: -42.037788
where:
bonds (distance) C4'-P energy: -9.223
bonds (distance) P-C4' energy: -11.558
flat angles C4'-P-C4' energy: -10.599
flat angles P-C4'-P energy: -8.386
tors. eta vs tors. theta energy: -2.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -174.409183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.409183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.409183 (E_RNA)
where:
Base-Base interactions energy: -114.485
where: short stacking energy: -44.607
Base-Backbone interact. energy: -0.126
local terms energy: -59.798037
where:
bonds (distance) C4'-P energy: -9.881
bonds (distance) P-C4' energy: -12.412
flat angles C4'-P-C4' energy: -14.787
flat angles P-C4'-P energy: -9.560
tors. eta vs tors. theta energy: -13.160
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: 6
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -177.673314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.673314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.673314 (E_RNA)
where:
Base-Base interactions energy: -113.398
where: short stacking energy: -45.670
Base-Backbone interact. energy: -0.010
local terms energy: -64.265361
where:
bonds (distance) C4'-P energy: -12.601
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -12.588
flat angles P-C4'-P energy: -10.472
tors. eta vs tors. theta energy: -15.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -164.921124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.921124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.921124 (E_RNA)
where:
Base-Base interactions energy: -112.121
where: short stacking energy: -39.907
Base-Backbone interact. energy: -0.122
local terms energy: -52.678502
where:
bonds (distance) C4'-P energy: -12.030
bonds (distance) P-C4' energy: -9.920
flat angles C4'-P-C4' energy: -12.148
flat angles P-C4'-P energy: -3.438
tors. eta vs tors. theta energy: -15.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -168.432283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.432283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.432283 (E_RNA)
where:
Base-Base interactions energy: -107.905
where: short stacking energy: -41.267
Base-Backbone interact. energy: -0.787
local terms energy: -59.740000
where:
bonds (distance) C4'-P energy: -9.583
bonds (distance) P-C4' energy: -12.862
flat angles C4'-P-C4' energy: -11.139
flat angles P-C4'-P energy: -10.361
tors. eta vs tors. theta energy: -15.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -71.163759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.163759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.163759 (E_RNA)
where:
Base-Base interactions energy: -23.909
where: short stacking energy: -21.625
Base-Backbone interact. energy: -0.107
local terms energy: -47.147349
where:
bonds (distance) C4'-P energy: -13.719
bonds (distance) P-C4' energy: -10.443
flat angles C4'-P-C4' energy: -13.060
flat angles P-C4'-P energy: -7.819
tors. eta vs tors. theta energy: -2.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -89.358108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.358108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.358108 (E_RNA)
where:
Base-Base interactions energy: -39.659
where: short stacking energy: -26.038
Base-Backbone interact. energy: -0.081
local terms energy: -49.617866
where:
bonds (distance) C4'-P energy: -12.832
bonds (distance) P-C4' energy: -14.382
flat angles C4'-P-C4' energy: -13.307
flat angles P-C4'-P energy: -7.595
tors. eta vs tors. theta energy: -1.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -67.182150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.182150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.182150 (E_RNA)
where:
Base-Base interactions energy: -31.852
where: short stacking energy: -23.410
Base-Backbone interact. energy: 0.414
local terms energy: -35.744212
where:
bonds (distance) C4'-P energy: -9.923
bonds (distance) P-C4' energy: -8.092
flat angles C4'-P-C4' energy: -8.714
flat angles P-C4'-P energy: -5.015
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: 8, replica: 5
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -70.794492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.794492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.794492 (E_RNA)
where:
Base-Base interactions energy: -30.690
where: short stacking energy: -16.889
Base-Backbone interact. energy: -0.136
local terms energy: -39.968925
where:
bonds (distance) C4'-P energy: -10.903
bonds (distance) P-C4' energy: -11.831
flat angles C4'-P-C4' energy: -8.025
flat angles P-C4'-P energy: -7.524
tors. eta vs tors. theta energy: -1.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -67.745229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.745229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.745229 (E_RNA)
where:
Base-Base interactions energy: -30.624
where: short stacking energy: -8.319
Base-Backbone interact. energy: -0.103
local terms energy: -37.019031
where:
bonds (distance) C4'-P energy: -9.740
bonds (distance) P-C4' energy: -12.554
flat angles C4'-P-C4' energy: -10.896
flat angles P-C4'-P energy: -5.688
tors. eta vs tors. theta energy: 1.859
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: 10, replica: 7
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -59.132690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.132690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.132690 (E_RNA)
where:
Base-Base interactions energy: -12.619
where: short stacking energy: -8.183
Base-Backbone interact. energy: -0.009
local terms energy: -46.504839
where:
bonds (distance) C4'-P energy: -12.775
bonds (distance) P-C4' energy: -11.496
flat angles C4'-P-C4' energy: -9.747
flat angles P-C4'-P energy: -8.828
tors. eta vs tors. theta energy: -3.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -181.374541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.374541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.374541 (E_RNA)
where:
Base-Base interactions energy: -122.404
where: short stacking energy: -39.463
Base-Backbone interact. energy: -0.042
local terms energy: -58.928034
where:
bonds (distance) C4'-P energy: -11.192
bonds (distance) P-C4' energy: -11.076
flat angles C4'-P-C4' energy: -12.489
flat angles P-C4'-P energy: -9.220
tors. eta vs tors. theta energy: -14.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -181.197393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.197393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.197393 (E_RNA)
where:
Base-Base interactions energy: -113.668
where: short stacking energy: -46.266
Base-Backbone interact. energy: -0.004
local terms energy: -67.525166
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -14.479
flat angles P-C4'-P energy: -10.462
tors. eta vs tors. theta energy: -14.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -172.625811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.625811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.625811 (E_RNA)
where:
Base-Base interactions energy: -115.922
where: short stacking energy: -44.365
Base-Backbone interact. energy: -0.081
local terms energy: -56.622579
where:
bonds (distance) C4'-P energy: -11.764
bonds (distance) P-C4' energy: -13.113
flat angles C4'-P-C4' energy: -11.624
flat angles P-C4'-P energy: -5.229
tors. eta vs tors. theta energy: -14.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -175.305976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.305976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.305976 (E_RNA)
where:
Base-Base interactions energy: -113.695
where: short stacking energy: -44.609
Base-Backbone interact. energy: -0.009
local terms energy: -61.602031
where:
bonds (distance) C4'-P energy: -13.674
bonds (distance) P-C4' energy: -14.073
flat angles C4'-P-C4' energy: -10.177
flat angles P-C4'-P energy: -6.950
tors. eta vs tors. theta energy: -16.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -75.844105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.844105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.844105 (E_RNA)
where:
Base-Base interactions energy: -30.776
where: short stacking energy: -20.076
Base-Backbone interact. energy: -0.163
local terms energy: -44.904435
where:
bonds (distance) C4'-P energy: -7.172
bonds (distance) P-C4' energy: -9.370
flat angles C4'-P-C4' energy: -10.828
flat angles P-C4'-P energy: -11.112
tors. eta vs tors. theta energy: -6.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -70.057540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.057540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.057540 (E_RNA)
where:
Base-Base interactions energy: -29.704
where: short stacking energy: -9.774
Base-Backbone interact. energy: -0.109
local terms energy: -40.244532
where:
bonds (distance) C4'-P energy: -10.597
bonds (distance) P-C4' energy: -12.281
flat angles C4'-P-C4' energy: -11.641
flat angles P-C4'-P energy: -5.610
tors. eta vs tors. theta energy: -0.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -80.197880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.197880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.197880 (E_RNA)
where:
Base-Base interactions energy: -39.557
where: short stacking energy: -9.707
Base-Backbone interact. energy: -0.201
local terms energy: -40.439486
where:
bonds (distance) C4'-P energy: -13.516
bonds (distance) P-C4' energy: -10.854
flat angles C4'-P-C4' energy: -11.755
flat angles P-C4'-P energy: -4.252
tors. eta vs tors. theta energy: -0.062
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: 8, replica: 5
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -63.423077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.423077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.423077 (E_RNA)
where:
Base-Base interactions energy: -20.314
where: short stacking energy: -11.321
Base-Backbone interact. energy: -0.181
local terms energy: -42.928591
where:
bonds (distance) C4'-P energy: -12.431
bonds (distance) P-C4' energy: -13.641
flat angles C4'-P-C4' energy: -11.000
flat angles P-C4'-P energy: -2.702
tors. eta vs tors. theta energy: -3.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -62.306362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.306362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.306362 (E_RNA)
where:
Base-Base interactions energy: -20.607
where: short stacking energy: -16.675
Base-Backbone interact. energy: -0.016
local terms energy: -41.683412
where:
bonds (distance) C4'-P energy: -10.855
bonds (distance) P-C4' energy: -10.316
flat angles C4'-P-C4' energy: -11.063
flat angles P-C4'-P energy: -8.966
tors. eta vs tors. theta energy: -0.483
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: 373
Temperature: 1.350000
Total energy: -74.348398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.348398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.348398 (E_RNA)
where:
Base-Base interactions energy: -36.965
where: short stacking energy: -24.586
Base-Backbone interact. energy: 1.623
local terms energy: -39.006866
where:
bonds (distance) C4'-P energy: -5.497
bonds (distance) P-C4' energy: -10.291
flat angles C4'-P-C4' energy: -8.609
flat angles P-C4'-P energy: -7.149
tors. eta vs tors. theta energy: -7.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -187.689893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.689893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.689893 (E_RNA)
where:
Base-Base interactions energy: -120.101
where: short stacking energy: -47.183
Base-Backbone interact. energy: -0.018
local terms energy: -67.570797
where:
bonds (distance) C4'-P energy: -12.224
bonds (distance) P-C4' energy: -13.215
flat angles C4'-P-C4' energy: -13.995
flat angles P-C4'-P energy: -10.587
tors. eta vs tors. theta energy: -17.550
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: 1
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -172.917126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.917126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.917126 (E_RNA)
where:
Base-Base interactions energy: -117.497
where: short stacking energy: -40.368
Base-Backbone interact. energy: -0.695
local terms energy: -54.724996
where:
bonds (distance) C4'-P energy: -13.061
bonds (distance) P-C4' energy: -9.682
flat angles C4'-P-C4' energy: -11.610
flat angles P-C4'-P energy: -6.406
tors. eta vs tors. theta energy: -13.967
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: 6
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -175.066189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.066189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.066189 (E_RNA)
where:
Base-Base interactions energy: -114.750
where: short stacking energy: -45.017
Base-Backbone interact. energy: -0.001
local terms energy: -60.315769
where:
bonds (distance) C4'-P energy: -13.421
bonds (distance) P-C4' energy: -11.617
flat angles C4'-P-C4' energy: -10.797
flat angles P-C4'-P energy: -10.197
tors. eta vs tors. theta energy: -14.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -172.348365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.348365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.348365 (E_RNA)
where:
Base-Base interactions energy: -111.468
where: short stacking energy: -45.939
Base-Backbone interact. energy: -0.003
local terms energy: -60.877500
where:
bonds (distance) C4'-P energy: -11.065
bonds (distance) P-C4' energy: -11.877
flat angles C4'-P-C4' energy: -11.879
flat angles P-C4'-P energy: -9.793
tors. eta vs tors. theta energy: -16.264
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: 5, replica: 8
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -71.951275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.951275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.951275 (E_RNA)
where:
Base-Base interactions energy: -24.601
where: short stacking energy: -15.780
Base-Backbone interact. energy: 0.153
local terms energy: -47.503544
where:
bonds (distance) C4'-P energy: -10.137
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -12.048
flat angles P-C4'-P energy: -9.887
tors. eta vs tors. theta energy: -1.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -77.519453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.519453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.519453 (E_RNA)
where:
Base-Base interactions energy: -29.993
where: short stacking energy: -27.355
Base-Backbone interact. energy: -0.037
local terms energy: -47.489623
where:
bonds (distance) C4'-P energy: -11.434
bonds (distance) P-C4' energy: -10.598
flat angles C4'-P-C4' energy: -9.839
flat angles P-C4'-P energy: -5.590
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: 7, replica: 5
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -64.832407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.832407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.832407 (E_RNA)
where:
Base-Base interactions energy: -22.655
where: short stacking energy: -17.008
Base-Backbone interact. energy: -0.176
local terms energy: -42.001120
where:
bonds (distance) C4'-P energy: -8.070
bonds (distance) P-C4' energy: -12.795
flat angles C4'-P-C4' energy: -12.611
flat angles P-C4'-P energy: -8.431
tors. eta vs tors. theta energy: -0.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -65.098872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.098872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.098872 (E_RNA)
where:
Base-Base interactions energy: -19.549
where: short stacking energy: -8.696
Base-Backbone interact. energy: -0.173
local terms energy: -45.377542
where:
bonds (distance) C4'-P energy: -12.812
bonds (distance) P-C4' energy: -12.042
flat angles C4'-P-C4' energy: -5.586
flat angles P-C4'-P energy: -9.591
tors. eta vs tors. theta energy: -5.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -59.760492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.760492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.760492 (E_RNA)
where:
Base-Base interactions energy: -29.253
where: short stacking energy: -21.528
Base-Backbone interact. energy: -0.037
local terms energy: -30.471068
where:
bonds (distance) C4'-P energy: -10.249
bonds (distance) P-C4' energy: -7.693
flat angles C4'-P-C4' energy: -9.989
flat angles P-C4'-P energy: -4.138
tors. eta vs tors. theta energy: 1.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -59.940147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.940147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.940147 (E_RNA)
where:
Base-Base interactions energy: -19.182
where: short stacking energy: -13.386
Base-Backbone interact. energy: -0.129
local terms energy: -40.628740
where:
bonds (distance) C4'-P energy: -10.337
bonds (distance) P-C4' energy: -11.232
flat angles C4'-P-C4' energy: -9.619
flat angles P-C4'-P energy: -5.857
tors. eta vs tors. theta energy: -3.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -183.825264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.825264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.825264 (E_RNA)
where:
Base-Base interactions energy: -122.932
where: short stacking energy: -44.348
Base-Backbone interact. energy: -0.093
local terms energy: -60.800189
where:
bonds (distance) C4'-P energy: -9.451
bonds (distance) P-C4' energy: -12.095
flat angles C4'-P-C4' energy: -12.349
flat angles P-C4'-P energy: -8.879
tors. eta vs tors. theta energy: -18.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -178.482794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.482794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.482794 (E_RNA)
where:
Base-Base interactions energy: -120.713
where: short stacking energy: -50.989
Base-Backbone interact. energy: -0.110
local terms energy: -57.660003
where:
bonds (distance) C4'-P energy: -8.808
bonds (distance) P-C4' energy: -12.137
flat angles C4'-P-C4' energy: -13.447
flat angles P-C4'-P energy: -7.208
tors. eta vs tors. theta energy: -16.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -178.472810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.472810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.472810 (E_RNA)
where:
Base-Base interactions energy: -110.748
where: short stacking energy: -45.515
Base-Backbone interact. energy: -0.001
local terms energy: -67.723911
where:
bonds (distance) C4'-P energy: -14.100
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -11.414
flat angles P-C4'-P energy: -9.313
tors. eta vs tors. theta energy: -18.269
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: 3
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -170.906391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.906391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.906391 (E_RNA)
where:
Base-Base interactions energy: -103.663
where: short stacking energy: -38.749
Base-Backbone interact. energy: -0.000
local terms energy: -67.242784
where:
bonds (distance) C4'-P energy: -14.787
bonds (distance) P-C4' energy: -14.082
flat angles C4'-P-C4' energy: -11.340
flat angles P-C4'-P energy: -8.743
tors. eta vs tors. theta energy: -18.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -78.514400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.514400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.514400 (E_RNA)
where:
Base-Base interactions energy: -32.716
where: short stacking energy: -22.511
Base-Backbone interact. energy: -0.002
local terms energy: -45.796146
where:
bonds (distance) C4'-P energy: -6.764
bonds (distance) P-C4' energy: -12.814
flat angles C4'-P-C4' energy: -12.405
flat angles P-C4'-P energy: -7.747
tors. eta vs tors. theta energy: -6.067
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: 5
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -76.415013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.415013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.415013 (E_RNA)
where:
Base-Base interactions energy: -35.604
where: short stacking energy: -25.019
Base-Backbone interact. energy: -0.008
local terms energy: -40.803123
where:
bonds (distance) C4'-P energy: -12.199
bonds (distance) P-C4' energy: -11.896
flat angles C4'-P-C4' energy: -8.054
flat angles P-C4'-P energy: -4.232
tors. eta vs tors. theta energy: -4.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -76.413391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.413391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.413391 (E_RNA)
where:
Base-Base interactions energy: -33.452
where: short stacking energy: -20.825
Base-Backbone interact. energy: -0.040
local terms energy: -42.921106
where:
bonds (distance) C4'-P energy: -11.852
bonds (distance) P-C4' energy: -14.205
flat angles C4'-P-C4' energy: -9.597
flat angles P-C4'-P energy: -8.172
tors. eta vs tors. theta energy: 0.904
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: 10
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -59.991588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.991588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.991588 (E_RNA)
where:
Base-Base interactions energy: -24.020
where: short stacking energy: -11.849
Base-Backbone interact. energy: -0.816
local terms energy: -35.156086
where:
bonds (distance) C4'-P energy: -4.288
bonds (distance) P-C4' energy: -11.778
flat angles C4'-P-C4' energy: -7.502
flat angles P-C4'-P energy: -10.775
tors. eta vs tors. theta energy: -0.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -67.479674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.479674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.479674 (E_RNA)
where:
Base-Base interactions energy: -30.016
where: short stacking energy: -12.065
Base-Backbone interact. energy: -0.014
local terms energy: -37.449807
where:
bonds (distance) C4'-P energy: -9.617
bonds (distance) P-C4' energy: -13.625
flat angles C4'-P-C4' energy: -9.913
flat angles P-C4'-P energy: -2.315
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: 375
Temperature: 1.350000
Total energy: -54.050379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.050379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.050379 (E_RNA)
where:
Base-Base interactions energy: -19.543
where: short stacking energy: -7.583
Base-Backbone interact. energy: 0.342
local terms energy: -34.849786
where:
bonds (distance) C4'-P energy: -10.478
bonds (distance) P-C4' energy: -12.371
flat angles C4'-P-C4' energy: -8.858
flat angles P-C4'-P energy: -4.472
tors. eta vs tors. theta energy: 1.329
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: 1
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -179.956735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.956735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.956735 (E_RNA)
where:
Base-Base interactions energy: -116.493
where: short stacking energy: -47.293
Base-Backbone interact. energy: -0.763
local terms energy: -62.700164
where:
bonds (distance) C4'-P energy: -11.901
bonds (distance) P-C4' energy: -12.131
flat angles C4'-P-C4' energy: -13.026
flat angles P-C4'-P energy: -10.801
tors. eta vs tors. theta energy: -14.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -179.016477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.016477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.016477 (E_RNA)
where:
Base-Base interactions energy: -117.909
where: short stacking energy: -44.783
Base-Backbone interact. energy: -0.615
local terms energy: -60.492645
where:
bonds (distance) C4'-P energy: -11.098
bonds (distance) P-C4' energy: -12.011
flat angles C4'-P-C4' energy: -11.349
flat angles P-C4'-P energy: -9.236
tors. eta vs tors. theta energy: -16.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -175.248699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.248699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.248699 (E_RNA)
where:
Base-Base interactions energy: -116.453
where: short stacking energy: -48.097
Base-Backbone interact. energy: -0.651
local terms energy: -58.144004
where:
bonds (distance) C4'-P energy: -7.033
bonds (distance) P-C4' energy: -12.751
flat angles C4'-P-C4' energy: -13.026
flat angles P-C4'-P energy: -7.936
tors. eta vs tors. theta energy: -17.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -166.628247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.628247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.628247 (E_RNA)
where:
Base-Base interactions energy: -116.725
where: short stacking energy: -37.979
Base-Backbone interact. energy: 0.236
local terms energy: -50.138760
where:
bonds (distance) C4'-P energy: -11.293
bonds (distance) P-C4' energy: -11.367
flat angles C4'-P-C4' energy: -7.056
flat angles P-C4'-P energy: -8.107
tors. eta vs tors. theta energy: -12.316
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: 8
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -104.819017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.819017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.819017 (E_RNA)
where:
Base-Base interactions energy: -67.108
where: short stacking energy: -26.110
Base-Backbone interact. energy: 0.402
local terms energy: -38.112856
where:
bonds (distance) C4'-P energy: -9.065
bonds (distance) P-C4' energy: -14.879
flat angles C4'-P-C4' energy: -6.401
flat angles P-C4'-P energy: -8.166
tors. eta vs tors. theta energy: 0.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -81.363494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.363494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.363494 (E_RNA)
where:
Base-Base interactions energy: -33.559
where: short stacking energy: -11.939
Base-Backbone interact. energy: -0.105
local terms energy: -47.699652
where:
bonds (distance) C4'-P energy: -13.098
bonds (distance) P-C4' energy: -13.655
flat angles C4'-P-C4' energy: -9.507
flat angles P-C4'-P energy: -7.689
tors. eta vs tors. theta energy: -3.751
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: 376
Temperature: 1.200000
Total energy: -63.783743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.783743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.783743 (E_RNA)
where:
Base-Base interactions energy: -20.188
where: short stacking energy: -15.823
Base-Backbone interact. energy: -0.168
local terms energy: -43.427991
where:
bonds (distance) C4'-P energy: -9.111
bonds (distance) P-C4' energy: -14.255
flat angles C4'-P-C4' energy: -11.595
flat angles P-C4'-P energy: -9.533
tors. eta vs tors. theta energy: 1.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -64.825036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.825036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.825036 (E_RNA)
where:
Base-Base interactions energy: -21.307
where: short stacking energy: -21.307
Base-Backbone interact. energy: -0.166
local terms energy: -43.351611
where:
bonds (distance) C4'-P energy: -10.026
bonds (distance) P-C4' energy: -13.727
flat angles C4'-P-C4' energy: -9.335
flat angles P-C4'-P energy: -5.662
tors. eta vs tors. theta energy: -4.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -66.581694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.581694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.581694 (E_RNA)
where:
Base-Base interactions energy: -19.938
where: short stacking energy: -10.998
Base-Backbone interact. energy: 0.645
local terms energy: -47.289397
where:
bonds (distance) C4'-P energy: -11.260
bonds (distance) P-C4' energy: -12.032
flat angles C4'-P-C4' energy: -13.643
flat angles P-C4'-P energy: -4.805
tors. eta vs tors. theta energy: -5.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -75.719405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.719405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.719405 (E_RNA)
where:
Base-Base interactions energy: -37.327
where: short stacking energy: -5.421
Base-Backbone interact. energy: -0.132
local terms energy: -38.260597
where:
bonds (distance) C4'-P energy: -8.601
bonds (distance) P-C4' energy: -10.510
flat angles C4'-P-C4' energy: -7.640
flat angles P-C4'-P energy: -8.176
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: 1, replica: 1
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -178.982693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.982693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.982693 (E_RNA)
where:
Base-Base interactions energy: -118.747
where: short stacking energy: -45.796
Base-Backbone interact. energy: -1.351
local terms energy: -58.885027
where:
bonds (distance) C4'-P energy: -11.869
bonds (distance) P-C4' energy: -12.458
flat angles C4'-P-C4' energy: -10.778
flat angles P-C4'-P energy: -8.458
tors. eta vs tors. theta energy: -15.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -179.303425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.303425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.303425 (E_RNA)
where:
Base-Base interactions energy: -114.282
where: short stacking energy: -44.127
Base-Backbone interact. energy: -0.086
local terms energy: -64.935553
where:
bonds (distance) C4'-P energy: -13.619
bonds (distance) P-C4' energy: -12.761
flat angles C4'-P-C4' energy: -13.576
flat angles P-C4'-P energy: -7.906
tors. eta vs tors. theta energy: -17.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -171.614164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.614164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.614164 (E_RNA)
where:
Base-Base interactions energy: -110.724
where: short stacking energy: -40.363
Base-Backbone interact. energy: -0.707
local terms energy: -60.182973
where:
bonds (distance) C4'-P energy: -9.305
bonds (distance) P-C4' energy: -12.959
flat angles C4'-P-C4' energy: -14.805
flat angles P-C4'-P energy: -9.221
tors. eta vs tors. theta energy: -13.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -170.322109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.322109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.322109 (E_RNA)
where:
Base-Base interactions energy: -109.652
where: short stacking energy: -44.242
Base-Backbone interact. energy: -2.506
local terms energy: -58.163617
where:
bonds (distance) C4'-P energy: -10.064
bonds (distance) P-C4' energy: -13.039
flat angles C4'-P-C4' energy: -11.608
flat angles P-C4'-P energy: -8.549
tors. eta vs tors. theta energy: -14.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -99.437407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.437407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.437407 (E_RNA)
where:
Base-Base interactions energy: -65.414
where: short stacking energy: -23.793
Base-Backbone interact. energy: -0.079
local terms energy: -33.943786
where:
bonds (distance) C4'-P energy: -11.271
bonds (distance) P-C4' energy: -7.908
flat angles C4'-P-C4' energy: -9.720
flat angles P-C4'-P energy: -8.472
tors. eta vs tors. theta energy: 3.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -73.967773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.967773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.967773 (E_RNA)
where:
Base-Base interactions energy: -27.955
where: short stacking energy: -28.255
Base-Backbone interact. energy: -0.111
local terms energy: -45.901271
where:
bonds (distance) C4'-P energy: -11.699
bonds (distance) P-C4' energy: -11.525
flat angles C4'-P-C4' energy: -12.249
flat angles P-C4'-P energy: -6.714
tors. eta vs tors. theta energy: -3.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -67.652906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.652906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.652906 (E_RNA)
where:
Base-Base interactions energy: -20.948
where: short stacking energy: -10.913
Base-Backbone interact. energy: 0.516
local terms energy: -47.220736
where:
bonds (distance) C4'-P energy: -13.744
bonds (distance) P-C4' energy: -11.916
flat angles C4'-P-C4' energy: -9.849
flat angles P-C4'-P energy: -7.891
tors. eta vs tors. theta energy: -3.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -71.501083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.501083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.501083 (E_RNA)
where:
Base-Base interactions energy: -38.258
where: short stacking energy: -16.898
Base-Backbone interact. energy: 0.712
local terms energy: -33.955421
where:
bonds (distance) C4'-P energy: -7.592
bonds (distance) P-C4' energy: -8.714
flat angles C4'-P-C4' energy: -5.612
flat angles P-C4'-P energy: -7.135
tors. eta vs tors. theta energy: -4.902
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: 4
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -73.487491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.487491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.487491 (E_RNA)
where:
Base-Base interactions energy: -23.579
where: short stacking energy: -15.147
Base-Backbone interact. energy: -0.244
local terms energy: -49.664852
where:
bonds (distance) C4'-P energy: -11.801
bonds (distance) P-C4' energy: -11.693
flat angles C4'-P-C4' energy: -12.348
flat angles P-C4'-P energy: -10.870
tors. eta vs tors. theta energy: -2.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -70.769503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.769503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.769503 (E_RNA)
where:
Base-Base interactions energy: -24.767
where: short stacking energy: -11.848
Base-Backbone interact. energy: -0.898
local terms energy: -45.104095
where:
bonds (distance) C4'-P energy: -11.066
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -11.063
flat angles P-C4'-P energy: -6.788
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: 1
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -174.800012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.800012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.800012 (E_RNA)
where:
Base-Base interactions energy: -111.428
where: short stacking energy: -42.151
Base-Backbone interact. energy: -0.004
local terms energy: -63.368660
where:
bonds (distance) C4'-P energy: -10.610
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -14.479
flat angles P-C4'-P energy: -8.973
tors. eta vs tors. theta energy: -15.127
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: 2, replica: 3
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -182.605650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.605650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.605650 (E_RNA)
where:
Base-Base interactions energy: -120.261
where: short stacking energy: -50.883
Base-Backbone interact. energy: -0.006
local terms energy: -62.338701
where:
bonds (distance) C4'-P energy: -11.594
bonds (distance) P-C4' energy: -10.043
flat angles C4'-P-C4' energy: -14.796
flat angles P-C4'-P energy: -8.417
tors. eta vs tors. theta energy: -17.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -175.528271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.528271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.528271 (E_RNA)
where:
Base-Base interactions energy: -110.961
where: short stacking energy: -38.935
Base-Backbone interact. energy: -0.010
local terms energy: -64.557815
where:
bonds (distance) C4'-P energy: -13.097
bonds (distance) P-C4' energy: -11.294
flat angles C4'-P-C4' energy: -14.073
flat angles P-C4'-P energy: -11.686
tors. eta vs tors. theta energy: -14.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -177.016324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.016324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.016324 (E_RNA)
where:
Base-Base interactions energy: -111.651
where: short stacking energy: -41.492
Base-Backbone interact. energy: -0.068
local terms energy: -65.297057
where:
bonds (distance) C4'-P energy: -13.135
bonds (distance) P-C4' energy: -11.736
flat angles C4'-P-C4' energy: -14.350
flat angles P-C4'-P energy: -11.227
tors. eta vs tors. theta energy: -14.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -71.241055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.241055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.241055 (E_RNA)
where:
Base-Base interactions energy: -23.086
where: short stacking energy: -16.567
Base-Backbone interact. energy: 0.071
local terms energy: -48.225931
where:
bonds (distance) C4'-P energy: -13.462
bonds (distance) P-C4' energy: -11.806
flat angles C4'-P-C4' energy: -11.406
flat angles P-C4'-P energy: -6.401
tors. eta vs tors. theta energy: -5.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -84.763635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.763635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.763635 (E_RNA)
where:
Base-Base interactions energy: -39.451
where: short stacking energy: -23.653
Base-Backbone interact. energy: -0.818
local terms energy: -44.495192
where:
bonds (distance) C4'-P energy: -7.530
bonds (distance) P-C4' energy: -12.712
flat angles C4'-P-C4' energy: -12.143
flat angles P-C4'-P energy: -7.456
tors. eta vs tors. theta energy: -4.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -66.712992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.712992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.712992 (E_RNA)
where:
Base-Base interactions energy: -33.281
where: short stacking energy: -5.753
Base-Backbone interact. energy: -0.086
local terms energy: -33.346100
where:
bonds (distance) C4'-P energy: -13.826
bonds (distance) P-C4' energy: -10.817
flat angles C4'-P-C4' energy: -6.623
flat angles P-C4'-P energy: -6.587
tors. eta vs tors. theta energy: 4.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -62.838639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.838639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.838639 (E_RNA)
where:
Base-Base interactions energy: -15.631
where: short stacking energy: -15.631
Base-Backbone interact. energy: -0.101
local terms energy: -47.106782
where:
bonds (distance) C4'-P energy: -12.522
bonds (distance) P-C4' energy: -13.064
flat angles C4'-P-C4' energy: -12.595
flat angles P-C4'-P energy: -5.222
tors. eta vs tors. theta energy: -3.703
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: 9, replica: 9
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -60.074704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.074704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.074704 (E_RNA)
where:
Base-Base interactions energy: -18.739
where: short stacking energy: -3.893
Base-Backbone interact. energy: -2.135
local terms energy: -39.200204
where:
bonds (distance) C4'-P energy: -10.134
bonds (distance) P-C4' energy: -13.092
flat angles C4'-P-C4' energy: -8.730
flat angles P-C4'-P energy: -8.564
tors. eta vs tors. theta energy: 1.320
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: 4
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -69.169501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.169501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.169501 (E_RNA)
where:
Base-Base interactions energy: -31.666
where: short stacking energy: -6.767
Base-Backbone interact. energy: -0.103
local terms energy: -37.400553
where:
bonds (distance) C4'-P energy: -10.469
bonds (distance) P-C4' energy: -13.600
flat angles C4'-P-C4' energy: -7.014
flat angles P-C4'-P energy: -5.534
tors. eta vs tors. theta energy: -0.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -179.743462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.743462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.743462 (E_RNA)
where:
Base-Base interactions energy: -115.366
where: short stacking energy: -40.754
Base-Backbone interact. energy: -0.070
local terms energy: -64.306544
where:
bonds (distance) C4'-P energy: -11.194
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -14.405
flat angles P-C4'-P energy: -7.925
tors. eta vs tors. theta energy: -17.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -180.413504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.413504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.413504 (E_RNA)
where:
Base-Base interactions energy: -122.882
where: short stacking energy: -44.436
Base-Backbone interact. energy: -0.987
local terms energy: -56.543970
where:
bonds (distance) C4'-P energy: -12.937
bonds (distance) P-C4' energy: -9.923
flat angles C4'-P-C4' energy: -9.425
flat angles P-C4'-P energy: -8.359
tors. eta vs tors. theta energy: -15.900
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: 6
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -159.821865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.821865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.821865 (E_RNA)
where:
Base-Base interactions energy: -104.864
where: short stacking energy: -37.866
Base-Backbone interact. energy: 0.032
local terms energy: -54.990422
where:
bonds (distance) C4'-P energy: -12.340
bonds (distance) P-C4' energy: -12.363
flat angles C4'-P-C4' energy: -12.232
flat angles P-C4'-P energy: -5.842
tors. eta vs tors. theta energy: -12.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -171.183175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.183175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.183175 (E_RNA)
where:
Base-Base interactions energy: -113.110
where: short stacking energy: -47.757
Base-Backbone interact. energy: -0.113
local terms energy: -57.960298
where:
bonds (distance) C4'-P energy: -10.610
bonds (distance) P-C4' energy: -9.114
flat angles C4'-P-C4' energy: -12.329
flat angles P-C4'-P energy: -9.846
tors. eta vs tors. theta energy: -16.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -76.974955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.974955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.974955 (E_RNA)
where:
Base-Base interactions energy: -33.919
where: short stacking energy: -14.530
Base-Backbone interact. energy: -0.337
local terms energy: -42.718895
where:
bonds (distance) C4'-P energy: -13.049
bonds (distance) P-C4' energy: -13.592
flat angles C4'-P-C4' energy: -7.288
flat angles P-C4'-P energy: -7.169
tors. eta vs tors. theta energy: -1.621
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: 7
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -71.813657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.813657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.813657 (E_RNA)
where:
Base-Base interactions energy: -31.214
where: short stacking energy: -16.293
Base-Backbone interact. energy: -0.623
local terms energy: -39.976321
where:
bonds (distance) C4'-P energy: -10.113
bonds (distance) P-C4' energy: -12.072
flat angles C4'-P-C4' energy: -12.731
flat angles P-C4'-P energy: -8.162
tors. eta vs tors. theta energy: 3.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -64.905558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.905558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.905558 (E_RNA)
where:
Base-Base interactions energy: -34.799
where: short stacking energy: -21.235
Base-Backbone interact. energy: 0.236
local terms energy: -30.342805
where:
bonds (distance) C4'-P energy: -7.381
bonds (distance) P-C4' energy: -9.306
flat angles C4'-P-C4' energy: -10.525
flat angles P-C4'-P energy: -2.537
tors. eta vs tors. theta energy: -0.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -65.329697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.329697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.329697 (E_RNA)
where:
Base-Base interactions energy: -26.392
where: short stacking energy: -6.541
Base-Backbone interact. energy: -0.525
local terms energy: -38.413253
where:
bonds (distance) C4'-P energy: -11.017
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -10.241
flat angles P-C4'-P energy: -5.325
tors. eta vs tors. theta energy: 2.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -59.372962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.372962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.372962 (E_RNA)
where:
Base-Base interactions energy: -16.505
where: short stacking energy: -16.505
Base-Backbone interact. energy: -0.250
local terms energy: -42.617983
where:
bonds (distance) C4'-P energy: -7.999
bonds (distance) P-C4' energy: -12.410
flat angles C4'-P-C4' energy: -12.966
flat angles P-C4'-P energy: -4.180
tors. eta vs tors. theta energy: -5.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -63.809117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.809117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.809117 (E_RNA)
where:
Base-Base interactions energy: -30.651
where: short stacking energy: -9.312
Base-Backbone interact. energy: -0.066
local terms energy: -33.092140
where:
bonds (distance) C4'-P energy: -11.284
bonds (distance) P-C4' energy: -8.766
flat angles C4'-P-C4' energy: -8.649
flat angles P-C4'-P energy: -6.494
tors. eta vs tors. theta energy: 2.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -183.953164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.953164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.953164 (E_RNA)
where:
Base-Base interactions energy: -115.136
where: short stacking energy: -47.733
Base-Backbone interact. energy: -0.008
local terms energy: -68.809187
where:
bonds (distance) C4'-P energy: -14.021
bonds (distance) P-C4' energy: -12.482
flat angles C4'-P-C4' energy: -14.695
flat angles P-C4'-P energy: -10.252
tors. eta vs tors. theta energy: -17.359
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: 2, replica: 3
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -175.547614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.547614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.547614 (E_RNA)
where:
Base-Base interactions energy: -115.489
where: short stacking energy: -49.137
Base-Backbone interact. energy: 0.116
local terms energy: -60.175481
where:
bonds (distance) C4'-P energy: -7.993
bonds (distance) P-C4' energy: -13.933
flat angles C4'-P-C4' energy: -11.175
flat angles P-C4'-P energy: -9.603
tors. eta vs tors. theta energy: -17.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -166.110729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.110729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.110729 (E_RNA)
where:
Base-Base interactions energy: -106.367
where: short stacking energy: -45.835
Base-Backbone interact. energy: -0.095
local terms energy: -59.649127
where:
bonds (distance) C4'-P energy: -11.949
bonds (distance) P-C4' energy: -12.560
flat angles C4'-P-C4' energy: -13.114
flat angles P-C4'-P energy: -8.692
tors. eta vs tors. theta energy: -13.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -144.369955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.369955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.369955 (E_RNA)
where:
Base-Base interactions energy: -95.345
where: short stacking energy: -39.336
Base-Backbone interact. energy: -0.038
local terms energy: -48.986831
where:
bonds (distance) C4'-P energy: -6.556
bonds (distance) P-C4' energy: -10.948
flat angles C4'-P-C4' energy: -12.863
flat angles P-C4'-P energy: -8.136
tors. eta vs tors. theta energy: -10.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -99.618909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.618909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.618909 (E_RNA)
where:
Base-Base interactions energy: -58.595
where: short stacking energy: -28.670
Base-Backbone interact. energy: -0.034
local terms energy: -40.989506
where:
bonds (distance) C4'-P energy: -4.393
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -9.116
flat angles P-C4'-P energy: -5.335
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: 6, replica: 10
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -80.875114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.875114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.875114 (E_RNA)
where:
Base-Base interactions energy: -28.941
where: short stacking energy: -28.941
Base-Backbone interact. energy: -0.402
local terms energy: -51.531916
where:
bonds (distance) C4'-P energy: -11.305
bonds (distance) P-C4' energy: -11.272
flat angles C4'-P-C4' energy: -10.544
flat angles P-C4'-P energy: -9.296
tors. eta vs tors. theta energy: -9.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -64.678812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.678812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.678812 (E_RNA)
where:
Base-Base interactions energy: -32.360
where: short stacking energy: -22.249
Base-Backbone interact. energy: 0.498
local terms energy: -32.817665
where:
bonds (distance) C4'-P energy: -7.273
bonds (distance) P-C4' energy: -10.033
flat angles C4'-P-C4' energy: -9.025
flat angles P-C4'-P energy: -4.150
tors. eta vs tors. theta energy: -2.338
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: 8, replica: 8
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -85.897595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.897595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.897595 (E_RNA)
where:
Base-Base interactions energy: -38.392
where: short stacking energy: -27.182
Base-Backbone interact. energy: -0.017
local terms energy: -47.488236
where:
bonds (distance) C4'-P energy: -12.725
bonds (distance) P-C4' energy: -10.812
flat angles C4'-P-C4' energy: -11.687
flat angles P-C4'-P energy: -2.850
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: 9, replica: 4
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -57.424825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.424825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.424825 (E_RNA)
where:
Base-Base interactions energy: -18.102
where: short stacking energy: -18.102
Base-Backbone interact. energy: -0.108
local terms energy: -39.215690
where:
bonds (distance) C4'-P energy: -11.847
bonds (distance) P-C4' energy: -10.953
flat angles C4'-P-C4' energy: -11.132
flat angles P-C4'-P energy: -4.017
tors. eta vs tors. theta energy: -1.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -63.272152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.272152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.272152 (E_RNA)
where:
Base-Base interactions energy: -27.715
where: short stacking energy: -14.370
Base-Backbone interact. energy: -0.101
local terms energy: -35.455948
where:
bonds (distance) C4'-P energy: -6.905
bonds (distance) P-C4' energy: -8.473
flat angles C4'-P-C4' energy: -12.880
flat angles P-C4'-P energy: -4.642
tors. eta vs tors. theta energy: -2.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -178.552201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.552201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.552201 (E_RNA)
where:
Base-Base interactions energy: -116.049
where: short stacking energy: -50.077
Base-Backbone interact. energy: -0.002
local terms energy: -62.500545
where:
bonds (distance) C4'-P energy: -12.465
bonds (distance) P-C4' energy: -11.054
flat angles C4'-P-C4' energy: -14.949
flat angles P-C4'-P energy: -8.160
tors. eta vs tors. theta energy: -15.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -179.526071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.526071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.526071 (E_RNA)
where:
Base-Base interactions energy: -119.039
where: short stacking energy: -47.647
Base-Backbone interact. energy: -0.001
local terms energy: -60.486623
where:
bonds (distance) C4'-P energy: -11.773
bonds (distance) P-C4' energy: -10.669
flat angles C4'-P-C4' energy: -11.331
flat angles P-C4'-P energy: -11.548
tors. eta vs tors. theta energy: -15.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -175.489495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.489495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.489495 (E_RNA)
where:
Base-Base interactions energy: -118.819
where: short stacking energy: -38.383
Base-Backbone interact. energy: -0.021
local terms energy: -56.649312
where:
bonds (distance) C4'-P energy: -11.235
bonds (distance) P-C4' energy: -10.815
flat angles C4'-P-C4' energy: -12.603
flat angles P-C4'-P energy: -11.231
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: 4, replica: 6
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -177.516754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.516754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.516754 (E_RNA)
where:
Base-Base interactions energy: -116.688
where: short stacking energy: -47.868
Base-Backbone interact. energy: -0.157
local terms energy: -60.672595
where:
bonds (distance) C4'-P energy: -10.982
bonds (distance) P-C4' energy: -11.397
flat angles C4'-P-C4' energy: -11.819
flat angles P-C4'-P energy: -10.457
tors. eta vs tors. theta energy: -16.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -87.693928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.693928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.693928 (E_RNA)
where:
Base-Base interactions energy: -52.824
where: short stacking energy: -22.713
Base-Backbone interact. energy: 0.209
local terms energy: -35.078793
where:
bonds (distance) C4'-P energy: -9.798
bonds (distance) P-C4' energy: -12.154
flat angles C4'-P-C4' energy: -6.907
flat angles P-C4'-P energy: -4.395
tors. eta vs tors. theta energy: -1.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -90.759355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.759355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.759355 (E_RNA)
where:
Base-Base interactions energy: -41.555
where: short stacking energy: -24.487
Base-Backbone interact. energy: -0.922
local terms energy: -48.282933
where:
bonds (distance) C4'-P energy: -11.871
bonds (distance) P-C4' energy: -14.227
flat angles C4'-P-C4' energy: -12.999
flat angles P-C4'-P energy: -5.422
tors. eta vs tors. theta energy: -3.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -67.563700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.563700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.563700 (E_RNA)
where:
Base-Base interactions energy: -31.773
where: short stacking energy: -14.651
Base-Backbone interact. energy: -0.291
local terms energy: -35.499578
where:
bonds (distance) C4'-P energy: -9.884
bonds (distance) P-C4' energy: -10.315
flat angles C4'-P-C4' energy: -11.294
flat angles P-C4'-P energy: -4.355
tors. eta vs tors. theta energy: 0.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -63.903153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.903153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.903153 (E_RNA)
where:
Base-Base interactions energy: -26.449
where: short stacking energy: -12.564
Base-Backbone interact. energy: -0.197
local terms energy: -37.257399
where:
bonds (distance) C4'-P energy: -11.504
bonds (distance) P-C4' energy: -13.898
flat angles C4'-P-C4' energy: -9.524
flat angles P-C4'-P energy: -5.487
tors. eta vs tors. theta energy: 3.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -58.229219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.229219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.229219 (E_RNA)
where:
Base-Base interactions energy: -27.251
where: short stacking energy: -17.301
Base-Backbone interact. energy: -0.302
local terms energy: -30.675992
where:
bonds (distance) C4'-P energy: -10.344
bonds (distance) P-C4' energy: -5.657
flat angles C4'-P-C4' energy: -12.393
flat angles P-C4'-P energy: -6.065
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: 5
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -61.197123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.197123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.197123 (E_RNA)
where:
Base-Base interactions energy: -27.040
where: short stacking energy: -16.332
Base-Backbone interact. energy: -0.173
local terms energy: -33.983850
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -10.077
flat angles C4'-P-C4' energy: -8.306
flat angles P-C4'-P energy: -4.519
tors. eta vs tors. theta energy: 2.727
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: 382
Temperature: 0.900000
Total energy: -185.994206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.994206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.994206 (E_RNA)
where:
Base-Base interactions energy: -121.307
where: short stacking energy: -50.304
Base-Backbone interact. energy: -0.010
local terms energy: -64.678039
where:
bonds (distance) C4'-P energy: -12.687
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -12.242
flat angles P-C4'-P energy: -9.841
tors. eta vs tors. theta energy: -15.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -178.860922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.860922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.860922 (E_RNA)
where:
Base-Base interactions energy: -119.921
where: short stacking energy: -42.709
Base-Backbone interact. energy: -0.088
local terms energy: -58.852079
where:
bonds (distance) C4'-P energy: -11.590
bonds (distance) P-C4' energy: -11.380
flat angles C4'-P-C4' energy: -11.270
flat angles P-C4'-P energy: -7.182
tors. eta vs tors. theta energy: -17.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -171.388341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.388341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.388341 (E_RNA)
where:
Base-Base interactions energy: -102.183
where: short stacking energy: -43.982
Base-Backbone interact. energy: -0.090
local terms energy: -69.114397
where:
bonds (distance) C4'-P energy: -13.176
bonds (distance) P-C4' energy: -13.815
flat angles C4'-P-C4' energy: -12.817
flat angles P-C4'-P energy: -10.926
tors. eta vs tors. theta energy: -18.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -169.258184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.258184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.258184 (E_RNA)
where:
Base-Base interactions energy: -111.697
where: short stacking energy: -40.416
Base-Backbone interact. energy: -0.008
local terms energy: -57.553233
where:
bonds (distance) C4'-P energy: -13.150
bonds (distance) P-C4' energy: -9.837
flat angles C4'-P-C4' energy: -11.370
flat angles P-C4'-P energy: -9.149
tors. eta vs tors. theta energy: -14.047
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: 5, replica: 9
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -96.826565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.826565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.826565 (E_RNA)
where:
Base-Base interactions energy: -47.055
where: short stacking energy: -22.137
Base-Backbone interact. energy: -0.093
local terms energy: -49.679291
where:
bonds (distance) C4'-P energy: -10.770
bonds (distance) P-C4' energy: -13.606
flat angles C4'-P-C4' energy: -14.319
flat angles P-C4'-P energy: -5.827
tors. eta vs tors. theta energy: -5.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -79.045717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.045717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.045717 (E_RNA)
where:
Base-Base interactions energy: -36.966
where: short stacking energy: -10.078
Base-Backbone interact. energy: -0.180
local terms energy: -41.899160
where:
bonds (distance) C4'-P energy: -6.751
bonds (distance) P-C4' energy: -12.191
flat angles C4'-P-C4' energy: -12.386
flat angles P-C4'-P energy: -9.987
tors. eta vs tors. theta energy: -0.584
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: 4
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -73.270557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.270557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.270557 (E_RNA)
where:
Base-Base interactions energy: -32.484
where: short stacking energy: -23.012
Base-Backbone interact. energy: -0.490
local terms energy: -40.296299
where:
bonds (distance) C4'-P energy: -8.531
bonds (distance) P-C4' energy: -11.483
flat angles C4'-P-C4' energy: -11.292
flat angles P-C4'-P energy: -8.201
tors. eta vs tors. theta energy: -0.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -78.362267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.362267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.362267 (E_RNA)
where:
Base-Base interactions energy: -35.344
where: short stacking energy: -23.088
Base-Backbone interact. energy: -0.012
local terms energy: -43.005955
where:
bonds (distance) C4'-P energy: -5.931
bonds (distance) P-C4' energy: -14.054
flat angles C4'-P-C4' energy: -11.649
flat angles P-C4'-P energy: -7.019
tors. eta vs tors. theta energy: -4.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -67.085681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.085681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.085681 (E_RNA)
where:
Base-Base interactions energy: -22.494
where: short stacking energy: -7.790
Base-Backbone interact. energy: 0.132
local terms energy: -44.723662
where:
bonds (distance) C4'-P energy: -11.963
bonds (distance) P-C4' energy: -13.539
flat angles C4'-P-C4' energy: -10.883
flat angles P-C4'-P energy: -8.840
tors. eta vs tors. theta energy: 0.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -58.406025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.406025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.406025 (E_RNA)
where:
Base-Base interactions energy: -16.967
where: short stacking energy: -16.784
Base-Backbone interact. energy: -0.112
local terms energy: -41.326978
where:
bonds (distance) C4'-P energy: -12.456
bonds (distance) P-C4' energy: -7.276
flat angles C4'-P-C4' energy: -5.280
flat angles P-C4'-P energy: -11.378
tors. eta vs tors. theta energy: -4.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -180.816473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.816473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.816473 (E_RNA)
where:
Base-Base interactions energy: -120.083
where: short stacking energy: -36.596
Base-Backbone interact. energy: -0.377
local terms energy: -60.355790
where:
bonds (distance) C4'-P energy: -10.051
bonds (distance) P-C4' energy: -14.900
flat angles C4'-P-C4' energy: -14.596
flat angles P-C4'-P energy: -7.362
tors. eta vs tors. theta energy: -13.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -182.642742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.642742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.642742 (E_RNA)
where:
Base-Base interactions energy: -119.875
where: short stacking energy: -46.137
Base-Backbone interact. energy: -0.012
local terms energy: -62.756290
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -14.189
flat angles C4'-P-C4' energy: -10.921
flat angles P-C4'-P energy: -8.064
tors. eta vs tors. theta energy: -17.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -170.576514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.576514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.576514 (E_RNA)
where:
Base-Base interactions energy: -112.907
where: short stacking energy: -37.308
Base-Backbone interact. energy: -0.014
local terms energy: -57.655465
where:
bonds (distance) C4'-P energy: -9.166
bonds (distance) P-C4' energy: -11.770
flat angles C4'-P-C4' energy: -12.854
flat angles P-C4'-P energy: -9.443
tors. eta vs tors. theta energy: -14.423
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: 2
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -177.840623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.840623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.840623 (E_RNA)
where:
Base-Base interactions energy: -111.578
where: short stacking energy: -42.196
Base-Backbone interact. energy: -0.407
local terms energy: -65.855805
where:
bonds (distance) C4'-P energy: -11.810
bonds (distance) P-C4' energy: -13.239
flat angles C4'-P-C4' energy: -14.149
flat angles P-C4'-P energy: -8.110
tors. eta vs tors. theta energy: -18.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -107.081126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.081126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.081126 (E_RNA)
where:
Base-Base interactions energy: -49.278
where: short stacking energy: -23.662
Base-Backbone interact. energy: -0.160
local terms energy: -57.642419
where:
bonds (distance) C4'-P energy: -12.778
bonds (distance) P-C4' energy: -13.301
flat angles C4'-P-C4' energy: -12.199
flat angles P-C4'-P energy: -11.516
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: 6, replica: 4
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -106.147343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.147343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.147343 (E_RNA)
where:
Base-Base interactions energy: -59.535
where: short stacking energy: -26.763
Base-Backbone interact. energy: -0.634
local terms energy: -45.977704
where:
bonds (distance) C4'-P energy: -14.224
bonds (distance) P-C4' energy: -9.865
flat angles C4'-P-C4' energy: -8.368
flat angles P-C4'-P energy: -9.448
tors. eta vs tors. theta energy: -4.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -61.288720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.288720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.288720 (E_RNA)
where:
Base-Base interactions energy: -21.122
where: short stacking energy: -19.758
Base-Backbone interact. energy: -0.162
local terms energy: -40.004031
where:
bonds (distance) C4'-P energy: -13.338
bonds (distance) P-C4' energy: -8.944
flat angles C4'-P-C4' energy: -11.583
flat angles P-C4'-P energy: -7.712
tors. eta vs tors. theta energy: 1.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -66.246018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.246018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.246018 (E_RNA)
where:
Base-Base interactions energy: -26.231
where: short stacking energy: -19.422
Base-Backbone interact. energy: -0.200
local terms energy: -39.814629
where:
bonds (distance) C4'-P energy: -8.237
bonds (distance) P-C4' energy: -14.214
flat angles C4'-P-C4' energy: -3.459
flat angles P-C4'-P energy: -6.120
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: 9, replica: 10
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -62.073362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.073362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.073362 (E_RNA)
where:
Base-Base interactions energy: -21.431
where: short stacking energy: -9.624
Base-Backbone interact. energy: -0.184
local terms energy: -40.458216
where:
bonds (distance) C4'-P energy: -10.548
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -10.212
flat angles P-C4'-P energy: -9.486
tors. eta vs tors. theta energy: 4.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -54.391196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.391196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.391196 (E_RNA)
where:
Base-Base interactions energy: -14.496
where: short stacking energy: -13.292
Base-Backbone interact. energy: -0.012
local terms energy: -39.883433
where:
bonds (distance) C4'-P energy: -12.865
bonds (distance) P-C4' energy: -7.040
flat angles C4'-P-C4' energy: -8.937
flat angles P-C4'-P energy: -7.887
tors. eta vs tors. theta energy: -3.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -184.849589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.849589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.849589 (E_RNA)
where:
Base-Base interactions energy: -120.578
where: short stacking energy: -52.410
Base-Backbone interact. energy: -0.118
local terms energy: -64.153633
where:
bonds (distance) C4'-P energy: -11.739
bonds (distance) P-C4' energy: -11.893
flat angles C4'-P-C4' energy: -13.212
flat angles P-C4'-P energy: -10.350
tors. eta vs tors. theta energy: -16.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -174.583680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.583680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.583680 (E_RNA)
where:
Base-Base interactions energy: -113.579
where: short stacking energy: -48.585
Base-Backbone interact. energy: -0.000
local terms energy: -61.003817
where:
bonds (distance) C4'-P energy: -10.071
bonds (distance) P-C4' energy: -11.959
flat angles C4'-P-C4' energy: -13.161
flat angles P-C4'-P energy: -7.737
tors. eta vs tors. theta energy: -18.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -170.740508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.740508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.740508 (E_RNA)
where:
Base-Base interactions energy: -109.828
where: short stacking energy: -42.578
Base-Backbone interact. energy: -0.106
local terms energy: -60.806243
where:
bonds (distance) C4'-P energy: -11.478
bonds (distance) P-C4' energy: -11.696
flat angles C4'-P-C4' energy: -14.302
flat angles P-C4'-P energy: -8.881
tors. eta vs tors. theta energy: -14.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -180.906902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.906902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.906902 (E_RNA)
where:
Base-Base interactions energy: -119.522
where: short stacking energy: -49.081
Base-Backbone interact. energy: -0.027
local terms energy: -61.358288
where:
bonds (distance) C4'-P energy: -9.993
bonds (distance) P-C4' energy: -13.803
flat angles C4'-P-C4' energy: -11.726
flat angles P-C4'-P energy: -9.308
tors. eta vs tors. theta energy: -16.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -107.089235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.089235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.089235 (E_RNA)
where:
Base-Base interactions energy: -56.286
where: short stacking energy: -19.647
Base-Backbone interact. energy: -0.047
local terms energy: -50.756197
where:
bonds (distance) C4'-P energy: -9.533
bonds (distance) P-C4' energy: -11.431
flat angles C4'-P-C4' energy: -11.929
flat angles P-C4'-P energy: -8.560
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: 4
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -87.653179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.653179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.653179 (E_RNA)
where:
Base-Base interactions energy: -43.700
where: short stacking energy: -17.250
Base-Backbone interact. energy: -0.280
local terms energy: -43.672838
where:
bonds (distance) C4'-P energy: -9.616
bonds (distance) P-C4' energy: -15.361
flat angles C4'-P-C4' energy: -7.582
flat angles P-C4'-P energy: -8.281
tors. eta vs tors. theta energy: -2.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -86.755723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.755723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.755723 (E_RNA)
where:
Base-Base interactions energy: -43.918
where: short stacking energy: -14.035
Base-Backbone interact. energy: -0.168
local terms energy: -42.669706
where:
bonds (distance) C4'-P energy: -11.044
bonds (distance) P-C4' energy: -13.200
flat angles C4'-P-C4' energy: -10.497
flat angles P-C4'-P energy: -7.762
tors. eta vs tors. theta energy: -0.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -78.685914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.685914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.685914 (E_RNA)
where:
Base-Base interactions energy: -33.126
where: short stacking energy: -18.222
Base-Backbone interact. energy: 2.438
local terms energy: -47.998705
where:
bonds (distance) C4'-P energy: -13.243
bonds (distance) P-C4' energy: -13.994
flat angles C4'-P-C4' energy: -9.123
flat angles P-C4'-P energy: -7.699
tors. eta vs tors. theta energy: -3.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -63.169012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.169012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.169012 (E_RNA)
where:
Base-Base interactions energy: -21.200
where: short stacking energy: -9.703
Base-Backbone interact. energy: -0.522
local terms energy: -41.447736
where:
bonds (distance) C4'-P energy: -9.600
bonds (distance) P-C4' energy: -13.582
flat angles C4'-P-C4' energy: -7.240
flat angles P-C4'-P energy: -8.867
tors. eta vs tors. theta energy: -2.159
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: 10
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -67.161685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.161685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.161685 (E_RNA)
where:
Base-Base interactions energy: -20.850
where: short stacking energy: -19.856
Base-Backbone interact. energy: -0.011
local terms energy: -46.300141
where:
bonds (distance) C4'-P energy: -11.266
bonds (distance) P-C4' energy: -10.853
flat angles C4'-P-C4' energy: -11.790
flat angles P-C4'-P energy: -9.452
tors. eta vs tors. theta energy: -2.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -184.263225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.263225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.263225 (E_RNA)
where:
Base-Base interactions energy: -115.431
where: short stacking energy: -48.418
Base-Backbone interact. energy: -0.041
local terms energy: -68.790969
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -14.297
flat angles C4'-P-C4' energy: -12.166
flat angles P-C4'-P energy: -11.793
tors. eta vs tors. theta energy: -16.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -182.147348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.147348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.147348 (E_RNA)
where:
Base-Base interactions energy: -116.944
where: short stacking energy: -47.197
Base-Backbone interact. energy: -0.538
local terms energy: -64.665607
where:
bonds (distance) C4'-P energy: -14.058
bonds (distance) P-C4' energy: -13.815
flat angles C4'-P-C4' energy: -12.880
flat angles P-C4'-P energy: -7.856
tors. eta vs tors. theta energy: -16.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -177.225329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.225329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.225329 (E_RNA)
where:
Base-Base interactions energy: -113.752
where: short stacking energy: -48.107
Base-Backbone interact. energy: -0.008
local terms energy: -63.465611
where:
bonds (distance) C4'-P energy: -10.759
bonds (distance) P-C4' energy: -12.789
flat angles C4'-P-C4' energy: -14.292
flat angles P-C4'-P energy: -8.700
tors. eta vs tors. theta energy: -16.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -172.277100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.277100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.277100 (E_RNA)
where:
Base-Base interactions energy: -114.711
where: short stacking energy: -42.470
Base-Backbone interact. energy: -0.124
local terms energy: -57.441964
where:
bonds (distance) C4'-P energy: -10.705
bonds (distance) P-C4' energy: -11.063
flat angles C4'-P-C4' energy: -11.216
flat angles P-C4'-P energy: -7.038
tors. eta vs tors. theta energy: -17.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -117.878064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.878064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.878064 (E_RNA)
where:
Base-Base interactions energy: -67.784
where: short stacking energy: -20.533
Base-Backbone interact. energy: -0.011
local terms energy: -50.083740
where:
bonds (distance) C4'-P energy: -13.256
bonds (distance) P-C4' energy: -14.054
flat angles C4'-P-C4' energy: -13.614
flat angles P-C4'-P energy: -8.110
tors. eta vs tors. theta energy: -1.050
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: 5
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -69.085576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.085576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.085576 (E_RNA)
where:
Base-Base interactions energy: -26.138
where: short stacking energy: -22.518
Base-Backbone interact. energy: -0.031
local terms energy: -42.916482
where:
bonds (distance) C4'-P energy: -7.932
bonds (distance) P-C4' energy: -11.511
flat angles C4'-P-C4' energy: -11.575
flat angles P-C4'-P energy: -8.138
tors. eta vs tors. theta energy: -3.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -67.159466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.159466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.159466 (E_RNA)
where:
Base-Base interactions energy: -26.396
where: short stacking energy: -14.257
Base-Backbone interact. energy: -0.180
local terms energy: -40.583573
where:
bonds (distance) C4'-P energy: -11.822
bonds (distance) P-C4' energy: -11.137
flat angles C4'-P-C4' energy: -12.170
flat angles P-C4'-P energy: -4.519
tors. eta vs tors. theta energy: -0.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -63.235417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.235417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.235417 (E_RNA)
where:
Base-Base interactions energy: -21.638
where: short stacking energy: -11.659
Base-Backbone interact. energy: -0.069
local terms energy: -41.529046
where:
bonds (distance) C4'-P energy: -12.138
bonds (distance) P-C4' energy: -11.579
flat angles C4'-P-C4' energy: -9.624
flat angles P-C4'-P energy: -8.630
tors. eta vs tors. theta energy: 0.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -63.174408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.174408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.174408 (E_RNA)
where:
Base-Base interactions energy: -16.021
where: short stacking energy: -15.576
Base-Backbone interact. energy: -0.918
local terms energy: -46.235487
where:
bonds (distance) C4'-P energy: -10.866
bonds (distance) P-C4' energy: -12.806
flat angles C4'-P-C4' energy: -12.484
flat angles P-C4'-P energy: -5.133
tors. eta vs tors. theta energy: -4.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -55.680840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.680840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.680840 (E_RNA)
where:
Base-Base interactions energy: -15.671
where: short stacking energy: -15.671
Base-Backbone interact. energy: -0.269
local terms energy: -39.741281
where:
bonds (distance) C4'-P energy: -10.870
bonds (distance) P-C4' energy: -10.199
flat angles C4'-P-C4' energy: -10.651
flat angles P-C4'-P energy: -7.390
tors. eta vs tors. theta energy: -0.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -177.035748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.035748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.035748 (E_RNA)
where:
Base-Base interactions energy: -116.218
where: short stacking energy: -45.571
Base-Backbone interact. energy: -0.049
local terms energy: -60.769626
where:
bonds (distance) C4'-P energy: -12.300
bonds (distance) P-C4' energy: -11.778
flat angles C4'-P-C4' energy: -12.618
flat angles P-C4'-P energy: -5.640
tors. eta vs tors. theta energy: -18.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -172.378762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.378762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.378762 (E_RNA)
where:
Base-Base interactions energy: -110.990
where: short stacking energy: -37.067
Base-Backbone interact. energy: -0.051
local terms energy: -61.337755
where:
bonds (distance) C4'-P energy: -12.969
bonds (distance) P-C4' energy: -11.982
flat angles C4'-P-C4' energy: -13.797
flat angles P-C4'-P energy: -7.238
tors. eta vs tors. theta energy: -15.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -178.245903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.245903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.245903 (E_RNA)
where:
Base-Base interactions energy: -115.007
where: short stacking energy: -46.587
Base-Backbone interact. energy: -0.586
local terms energy: -62.652852
where:
bonds (distance) C4'-P energy: -12.821
bonds (distance) P-C4' energy: -11.074
flat angles C4'-P-C4' energy: -13.633
flat angles P-C4'-P energy: -8.186
tors. eta vs tors. theta energy: -16.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -162.297893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.297893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.297893 (E_RNA)
where:
Base-Base interactions energy: -104.713
where: short stacking energy: -35.924
Base-Backbone interact. energy: -0.437
local terms energy: -57.147808
where:
bonds (distance) C4'-P energy: -10.155
bonds (distance) P-C4' energy: -12.202
flat angles C4'-P-C4' energy: -14.584
flat angles P-C4'-P energy: -7.066
tors. eta vs tors. theta energy: -13.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -98.200290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.200290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.200290 (E_RNA)
where:
Base-Base interactions energy: -56.312
where: short stacking energy: -20.245
Base-Backbone interact. energy: -0.015
local terms energy: -41.873687
where:
bonds (distance) C4'-P energy: -4.442
bonds (distance) P-C4' energy: -12.610
flat angles C4'-P-C4' energy: -13.121
flat angles P-C4'-P energy: -8.449
tors. eta vs tors. theta energy: -3.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -80.468691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.468691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.468691 (E_RNA)
where:
Base-Base interactions energy: -34.026
where: short stacking energy: -24.805
Base-Backbone interact. energy: -0.089
local terms energy: -46.353855
where:
bonds (distance) C4'-P energy: -9.466
bonds (distance) P-C4' energy: -13.318
flat angles C4'-P-C4' energy: -10.824
flat angles P-C4'-P energy: -7.820
tors. eta vs tors. theta energy: -4.927
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: 8
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -72.519582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.519582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.519582 (E_RNA)
where:
Base-Base interactions energy: -30.133
where: short stacking energy: -12.724
Base-Backbone interact. energy: 0.502
local terms energy: -42.888456
where:
bonds (distance) C4'-P energy: -12.291
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -10.429
flat angles P-C4'-P energy: -6.624
tors. eta vs tors. theta energy: -0.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -66.782077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.782077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.782077 (E_RNA)
where:
Base-Base interactions energy: -24.177
where: short stacking energy: -15.420
Base-Backbone interact. energy: 0.145
local terms energy: -42.750317
where:
bonds (distance) C4'-P energy: -7.661
bonds (distance) P-C4' energy: -10.161
flat angles C4'-P-C4' energy: -11.709
flat angles P-C4'-P energy: -8.030
tors. eta vs tors. theta energy: -5.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -62.980742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.980742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.980742 (E_RNA)
where:
Base-Base interactions energy: -26.623
where: short stacking energy: -16.835
Base-Backbone interact. energy: -0.671
local terms energy: -35.686781
where:
bonds (distance) C4'-P energy: -9.471
bonds (distance) P-C4' energy: -7.435
flat angles C4'-P-C4' energy: -14.467
flat angles P-C4'-P energy: -5.670
tors. eta vs tors. theta energy: 1.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -66.288266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.288266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.288266 (E_RNA)
where:
Base-Base interactions energy: -17.723
where: short stacking energy: -9.211
Base-Backbone interact. energy: -0.210
local terms energy: -48.355515
where:
bonds (distance) C4'-P energy: -9.285
bonds (distance) P-C4' energy: -11.831
flat angles C4'-P-C4' energy: -12.345
flat angles P-C4'-P energy: -9.162
tors. eta vs tors. theta energy: -5.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -177.856478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.856478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.856478 (E_RNA)
where:
Base-Base interactions energy: -120.138
where: short stacking energy: -42.628
Base-Backbone interact. energy: -0.661
local terms energy: -57.057442
where:
bonds (distance) C4'-P energy: -6.503
bonds (distance) P-C4' energy: -14.099
flat angles C4'-P-C4' energy: -11.402
flat angles P-C4'-P energy: -8.566
tors. eta vs tors. theta energy: -16.487
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: 2, replica: 2
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -184.271095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.271095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.271095 (E_RNA)
where:
Base-Base interactions energy: -122.921
where: short stacking energy: -43.951
Base-Backbone interact. energy: -0.024
local terms energy: -61.326049
where:
bonds (distance) C4'-P energy: -13.297
bonds (distance) P-C4' energy: -8.957
flat angles C4'-P-C4' energy: -12.813
flat angles P-C4'-P energy: -9.789
tors. eta vs tors. theta energy: -16.470
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: 6
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -172.667322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.667322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.667322 (E_RNA)
where:
Base-Base interactions energy: -113.009
where: short stacking energy: -45.209
Base-Backbone interact. energy: -0.475
local terms energy: -59.183538
where:
bonds (distance) C4'-P energy: -12.078
bonds (distance) P-C4' energy: -12.979
flat angles C4'-P-C4' energy: -9.001
flat angles P-C4'-P energy: -10.593
tors. eta vs tors. theta energy: -14.532
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: 1
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -173.675908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.675908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.675908 (E_RNA)
where:
Base-Base interactions energy: -114.780
where: short stacking energy: -40.729
Base-Backbone interact. energy: -0.009
local terms energy: -58.887664
where:
bonds (distance) C4'-P energy: -11.227
bonds (distance) P-C4' energy: -11.113
flat angles C4'-P-C4' energy: -11.007
flat angles P-C4'-P energy: -11.398
tors. eta vs tors. theta energy: -14.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -126.015933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.015933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.015933 (E_RNA)
where:
Base-Base interactions energy: -76.326
where: short stacking energy: -34.798
Base-Backbone interact. energy: 0.324
local terms energy: -50.014254
where:
bonds (distance) C4'-P energy: -11.106
bonds (distance) P-C4' energy: -11.227
flat angles C4'-P-C4' energy: -10.955
flat angles P-C4'-P energy: -7.305
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: 6, replica: 8
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -114.119684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.119684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.119684 (E_RNA)
where:
Base-Base interactions energy: -67.655
where: short stacking energy: -14.762
Base-Backbone interact. energy: -0.574
local terms energy: -45.890750
where:
bonds (distance) C4'-P energy: -11.674
bonds (distance) P-C4' energy: -10.935
flat angles C4'-P-C4' energy: -12.201
flat angles P-C4'-P energy: -8.824
tors. eta vs tors. theta energy: -2.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -70.738371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.738371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.738371 (E_RNA)
where:
Base-Base interactions energy: -35.639
where: short stacking energy: -11.166
Base-Backbone interact. energy: -0.371
local terms energy: -34.727530
where:
bonds (distance) C4'-P energy: -10.182
bonds (distance) P-C4' energy: -11.737
flat angles C4'-P-C4' energy: -10.466
flat angles P-C4'-P energy: -2.147
tors. eta vs tors. theta energy: -0.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -60.910840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.910840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.910840 (E_RNA)
where:
Base-Base interactions energy: -26.881
where: short stacking energy: -9.191
Base-Backbone interact. energy: -0.162
local terms energy: -33.867710
where:
bonds (distance) C4'-P energy: -9.468
bonds (distance) P-C4' energy: -11.853
flat angles C4'-P-C4' energy: -9.536
flat angles P-C4'-P energy: -7.207
tors. eta vs tors. theta energy: 4.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -60.604232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.604232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.604232 (E_RNA)
where:
Base-Base interactions energy: -22.037
where: short stacking energy: -12.005
Base-Backbone interact. energy: -0.018
local terms energy: -38.549160
where:
bonds (distance) C4'-P energy: -11.724
bonds (distance) P-C4' energy: -11.415
flat angles C4'-P-C4' energy: -10.290
flat angles P-C4'-P energy: -6.705
tors. eta vs tors. theta energy: 1.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -64.696497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.696497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.696497 (E_RNA)
where:
Base-Base interactions energy: -26.190
where: short stacking energy: -19.351
Base-Backbone interact. energy: -0.461
local terms energy: -38.045653
where:
bonds (distance) C4'-P energy: -5.913
bonds (distance) P-C4' energy: -14.217
flat angles C4'-P-C4' energy: -9.328
flat angles P-C4'-P energy: -4.004
tors. eta vs tors. theta energy: -4.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -176.896740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.896740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.896740 (E_RNA)
where:
Base-Base interactions energy: -113.532
where: short stacking energy: -42.444
Base-Backbone interact. energy: -0.293
local terms energy: -63.072428
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -10.726
flat angles C4'-P-C4' energy: -12.430
flat angles P-C4'-P energy: -10.209
tors. eta vs tors. theta energy: -15.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -175.588525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.588525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.588525 (E_RNA)
where:
Base-Base interactions energy: -115.426
where: short stacking energy: -44.696
Base-Backbone interact. energy: -0.006
local terms energy: -60.156690
where:
bonds (distance) C4'-P energy: -11.106
bonds (distance) P-C4' energy: -9.955
flat angles C4'-P-C4' energy: -11.787
flat angles P-C4'-P energy: -10.808
tors. eta vs tors. theta energy: -16.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -162.056882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.056882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.056882 (E_RNA)
where:
Base-Base interactions energy: -104.285
where: short stacking energy: -42.098
Base-Backbone interact. energy: -0.008
local terms energy: -57.764035
where:
bonds (distance) C4'-P energy: -12.389
bonds (distance) P-C4' energy: -9.389
flat angles C4'-P-C4' energy: -11.081
flat angles P-C4'-P energy: -10.160
tors. eta vs tors. theta energy: -14.744
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: 1
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -171.588736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.588736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.588736 (E_RNA)
where:
Base-Base interactions energy: -111.630
where: short stacking energy: -44.297
Base-Backbone interact. energy: -0.285
local terms energy: -59.674229
where:
bonds (distance) C4'-P energy: -12.874
bonds (distance) P-C4' energy: -12.895
flat angles C4'-P-C4' energy: -12.458
flat angles P-C4'-P energy: -4.850
tors. eta vs tors. theta energy: -16.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -117.212814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.212814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.212814 (E_RNA)
where:
Base-Base interactions energy: -67.129
where: short stacking energy: -29.744
Base-Backbone interact. energy: -0.561
local terms energy: -49.523668
where:
bonds (distance) C4'-P energy: -12.680
bonds (distance) P-C4' energy: -10.094
flat angles C4'-P-C4' energy: -11.422
flat angles P-C4'-P energy: -7.437
tors. eta vs tors. theta energy: -7.890
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: 388
Temperature: 1.150000
Total energy: -72.430893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.430893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.430893 (E_RNA)
where:
Base-Base interactions energy: -31.844
where: short stacking energy: -13.187
Base-Backbone interact. energy: -0.183
local terms energy: -40.403539
where:
bonds (distance) C4'-P energy: -7.590
bonds (distance) P-C4' energy: -10.846
flat angles C4'-P-C4' energy: -11.777
flat angles P-C4'-P energy: -8.250
tors. eta vs tors. theta energy: -1.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -67.314065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.314065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.314065 (E_RNA)
where:
Base-Base interactions energy: -29.382
where: short stacking energy: -15.579
Base-Backbone interact. energy: -0.037
local terms energy: -37.895144
where:
bonds (distance) C4'-P energy: -10.693
bonds (distance) P-C4' energy: -11.007
flat angles C4'-P-C4' energy: -8.253
flat angles P-C4'-P energy: -5.907
tors. eta vs tors. theta energy: -2.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -71.650766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.650766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.650766 (E_RNA)
where:
Base-Base interactions energy: -27.046
where: short stacking energy: -19.295
Base-Backbone interact. energy: -0.152
local terms energy: -44.452907
where:
bonds (distance) C4'-P energy: -9.695
bonds (distance) P-C4' energy: -12.193
flat angles C4'-P-C4' energy: -11.737
flat angles P-C4'-P energy: -5.825
tors. eta vs tors. theta energy: -5.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -62.436429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.436429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.436429 (E_RNA)
where:
Base-Base interactions energy: -24.659
where: short stacking energy: -21.911
Base-Backbone interact. energy: -0.392
local terms energy: -37.385273
where:
bonds (distance) C4'-P energy: -9.998
bonds (distance) P-C4' energy: -8.766
flat angles C4'-P-C4' energy: -10.465
flat angles P-C4'-P energy: -2.578
tors. eta vs tors. theta energy: -5.578
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: 10
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -57.319416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.319416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.319416 (E_RNA)
where:
Base-Base interactions energy: -12.330
where: short stacking energy: -11.374
Base-Backbone interact. energy: -0.125
local terms energy: -44.863993
where:
bonds (distance) C4'-P energy: -11.826
bonds (distance) P-C4' energy: -13.087
flat angles C4'-P-C4' energy: -12.036
flat angles P-C4'-P energy: -4.407
tors. eta vs tors. theta energy: -3.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -175.451938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.451938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.451938 (E_RNA)
where:
Base-Base interactions energy: -117.850
where: short stacking energy: -47.929
Base-Backbone interact. energy: -0.065
local terms energy: -57.536504
where:
bonds (distance) C4'-P energy: -11.388
bonds (distance) P-C4' energy: -11.000
flat angles C4'-P-C4' energy: -11.040
flat angles P-C4'-P energy: -10.493
tors. eta vs tors. theta energy: -13.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -183.591089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.591089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.591089 (E_RNA)
where:
Base-Base interactions energy: -119.812
where: short stacking energy: -45.157
Base-Backbone interact. energy: -0.052
local terms energy: -63.726809
where:
bonds (distance) C4'-P energy: -11.860
bonds (distance) P-C4' energy: -12.616
flat angles C4'-P-C4' energy: -12.624
flat angles P-C4'-P energy: -10.226
tors. eta vs tors. theta energy: -16.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -163.887805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.887805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.887805 (E_RNA)
where:
Base-Base interactions energy: -108.441
where: short stacking energy: -46.593
Base-Backbone interact. energy: -0.016
local terms energy: -55.431225
where:
bonds (distance) C4'-P energy: -6.469
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -13.554
flat angles P-C4'-P energy: -8.152
tors. eta vs tors. theta energy: -13.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -169.262641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.262641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.262641 (E_RNA)
where:
Base-Base interactions energy: -104.830
where: short stacking energy: -41.102
Base-Backbone interact. energy: -0.031
local terms energy: -64.401985
where:
bonds (distance) C4'-P energy: -10.497
bonds (distance) P-C4' energy: -15.573
flat angles C4'-P-C4' energy: -12.748
flat angles P-C4'-P energy: -10.273
tors. eta vs tors. theta energy: -15.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -118.278325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.278325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.278325 (E_RNA)
where:
Base-Base interactions energy: -71.959
where: short stacking energy: -26.264
Base-Backbone interact. energy: 0.242
local terms energy: -46.561958
where:
bonds (distance) C4'-P energy: -9.546
bonds (distance) P-C4' energy: -12.482
flat angles C4'-P-C4' energy: -12.930
flat angles P-C4'-P energy: -7.315
tors. eta vs tors. theta energy: -4.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -69.760204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.760204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.760204 (E_RNA)
where:
Base-Base interactions energy: -33.976
where: short stacking energy: -18.196
Base-Backbone interact. energy: -0.279
local terms energy: -35.505475
where:
bonds (distance) C4'-P energy: -9.777
bonds (distance) P-C4' energy: -10.865
flat angles C4'-P-C4' energy: -10.148
flat angles P-C4'-P energy: -5.135
tors. eta vs tors. theta energy: 0.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -74.544552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.544552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.544552 (E_RNA)
where:
Base-Base interactions energy: -31.250
where: short stacking energy: -19.971
Base-Backbone interact. energy: -0.003
local terms energy: -43.291829
where:
bonds (distance) C4'-P energy: -10.974
bonds (distance) P-C4' energy: -13.022
flat angles C4'-P-C4' energy: -8.533
flat angles P-C4'-P energy: -7.023
tors. eta vs tors. theta energy: -3.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -66.687704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.687704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.687704 (E_RNA)
where:
Base-Base interactions energy: -27.008
where: short stacking energy: -14.711
Base-Backbone interact. energy: -0.376
local terms energy: -39.304040
where:
bonds (distance) C4'-P energy: -12.200
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -6.293
flat angles P-C4'-P energy: -6.346
tors. eta vs tors. theta energy: 0.452
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: 389
Temperature: 1.300000
Total energy: -59.310240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.310240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.310240 (E_RNA)
where:
Base-Base interactions energy: -15.555
where: short stacking energy: -15.555
Base-Backbone interact. energy: -0.094
local terms energy: -43.661378
where:
bonds (distance) C4'-P energy: -13.098
bonds (distance) P-C4' energy: -11.945
flat angles C4'-P-C4' energy: -8.334
flat angles P-C4'-P energy: -6.190
tors. eta vs tors. theta energy: -4.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -59.575697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.575697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.575697 (E_RNA)
where:
Base-Base interactions energy: -15.688
where: short stacking energy: -12.914
Base-Backbone interact. energy: -0.202
local terms energy: -43.685745
where:
bonds (distance) C4'-P energy: -7.897
bonds (distance) P-C4' energy: -10.964
flat angles C4'-P-C4' energy: -13.079
flat angles P-C4'-P energy: -9.762
tors. eta vs tors. theta energy: -1.984
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: 1, replica: 3
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -182.017365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.017365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.017365 (E_RNA)
where:
Base-Base interactions energy: -112.566
where: short stacking energy: -49.930
Base-Backbone interact. energy: -0.008
local terms energy: -69.443098
where:
bonds (distance) C4'-P energy: -13.372
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -14.482
flat angles P-C4'-P energy: -9.477
tors. eta vs tors. theta energy: -17.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -180.639479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.639479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.639479 (E_RNA)
where:
Base-Base interactions energy: -117.689
where: short stacking energy: -42.918
Base-Backbone interact. energy: -0.001
local terms energy: -62.949436
where:
bonds (distance) C4'-P energy: -13.462
bonds (distance) P-C4' energy: -10.932
flat angles C4'-P-C4' energy: -12.734
flat angles P-C4'-P energy: -9.271
tors. eta vs tors. theta energy: -16.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -173.146343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.146343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.146343 (E_RNA)
where:
Base-Base interactions energy: -110.511
where: short stacking energy: -44.524
Base-Backbone interact. energy: -0.930
local terms energy: -61.705458
where:
bonds (distance) C4'-P energy: -11.897
bonds (distance) P-C4' energy: -12.436
flat angles C4'-P-C4' energy: -11.783
flat angles P-C4'-P energy: -10.769
tors. eta vs tors. theta energy: -14.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -165.403349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.403349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.403349 (E_RNA)
where:
Base-Base interactions energy: -107.621
where: short stacking energy: -43.333
Base-Backbone interact. energy: -0.015
local terms energy: -57.767050
where:
bonds (distance) C4'-P energy: -11.152
bonds (distance) P-C4' energy: -14.843
flat angles C4'-P-C4' energy: -13.064
flat angles P-C4'-P energy: -3.012
tors. eta vs tors. theta energy: -15.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -122.195274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.195274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.195274 (E_RNA)
where:
Base-Base interactions energy: -72.748
where: short stacking energy: -21.282
Base-Backbone interact. energy: -0.489
local terms energy: -48.958330
where:
bonds (distance) C4'-P energy: -10.962
bonds (distance) P-C4' energy: -13.046
flat angles C4'-P-C4' energy: -11.820
flat angles P-C4'-P energy: -3.595
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: 4
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -72.718502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.718502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.718502 (E_RNA)
where:
Base-Base interactions energy: -33.376
where: short stacking energy: -13.950
Base-Backbone interact. energy: -0.186
local terms energy: -39.156071
where:
bonds (distance) C4'-P energy: -11.702
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -9.022
flat angles P-C4'-P energy: -5.072
tors. eta vs tors. theta energy: 0.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -88.035614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.035614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.035614 (E_RNA)
where:
Base-Base interactions energy: -50.121
where: short stacking energy: -10.667
Base-Backbone interact. energy: -0.298
local terms energy: -37.617088
where:
bonds (distance) C4'-P energy: -12.692
bonds (distance) P-C4' energy: -10.714
flat angles C4'-P-C4' energy: -9.592
flat angles P-C4'-P energy: -7.265
tors. eta vs tors. theta energy: 2.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -84.690689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.690689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.690689 (E_RNA)
where:
Base-Base interactions energy: -36.855
where: short stacking energy: -15.309
Base-Backbone interact. energy: -0.871
local terms energy: -46.964255
where:
bonds (distance) C4'-P energy: -12.128
bonds (distance) P-C4' energy: -12.207
flat angles C4'-P-C4' energy: -11.920
flat angles P-C4'-P energy: -8.712
tors. eta vs tors. theta energy: -1.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -66.166868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.166868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.166868 (E_RNA)
where:
Base-Base interactions energy: -21.158
where: short stacking energy: -9.728
Base-Backbone interact. energy: -0.278
local terms energy: -44.730706
where:
bonds (distance) C4'-P energy: -10.469
bonds (distance) P-C4' energy: -13.243
flat angles C4'-P-C4' energy: -13.069
flat angles P-C4'-P energy: -9.057
tors. eta vs tors. theta energy: 1.108
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: 10, replica: 7
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -62.963136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.963136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.963136 (E_RNA)
where:
Base-Base interactions energy: -19.871
where: short stacking energy: -11.818
Base-Backbone interact. energy: -0.351
local terms energy: -42.741349
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -12.146
flat angles C4'-P-C4' energy: -12.282
flat angles P-C4'-P energy: -6.768
tors. eta vs tors. theta energy: 1.316
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: 3
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -181.349491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.349491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.349491 (E_RNA)
where:
Base-Base interactions energy: -119.076
where: short stacking energy: -46.989
Base-Backbone interact. energy: -0.926
local terms energy: -61.347784
where:
bonds (distance) C4'-P energy: -11.914
bonds (distance) P-C4' energy: -13.634
flat angles C4'-P-C4' energy: -12.875
flat angles P-C4'-P energy: -10.183
tors. eta vs tors. theta energy: -12.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -183.000892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.000892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.000892 (E_RNA)
where:
Base-Base interactions energy: -117.460
where: short stacking energy: -48.258
Base-Backbone interact. energy: -0.000
local terms energy: -65.540273
where:
bonds (distance) C4'-P energy: -13.122
bonds (distance) P-C4' energy: -13.098
flat angles C4'-P-C4' energy: -12.737
flat angles P-C4'-P energy: -7.656
tors. eta vs tors. theta energy: -18.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -173.952810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.952810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.952810 (E_RNA)
where:
Base-Base interactions energy: -117.906
where: short stacking energy: -39.524
Base-Backbone interact. energy: -0.121
local terms energy: -55.926331
where:
bonds (distance) C4'-P energy: -11.242
bonds (distance) P-C4' energy: -12.859
flat angles C4'-P-C4' energy: -13.464
flat angles P-C4'-P energy: -4.839
tors. eta vs tors. theta energy: -13.523
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: 6
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -173.273768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.273768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.273768 (E_RNA)
where:
Base-Base interactions energy: -109.246
where: short stacking energy: -45.795
Base-Backbone interact. energy: -0.011
local terms energy: -64.017059
where:
bonds (distance) C4'-P energy: -11.605
bonds (distance) P-C4' energy: -14.453
flat angles C4'-P-C4' energy: -12.309
flat angles P-C4'-P energy: -9.025
tors. eta vs tors. theta energy: -16.625
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: 5
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -167.868820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.868820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.868820 (E_RNA)
where:
Base-Base interactions energy: -108.454
where: short stacking energy: -39.761
Base-Backbone interact. energy: -0.653
local terms energy: -58.762451
where:
bonds (distance) C4'-P energy: -9.290
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -11.796
flat angles P-C4'-P energy: -8.857
tors. eta vs tors. theta energy: -15.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -72.043555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.043555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.043555 (E_RNA)
where:
Base-Base interactions energy: -26.465
where: short stacking energy: -19.152
Base-Backbone interact. energy: -0.008
local terms energy: -45.570866
where:
bonds (distance) C4'-P energy: -12.062
bonds (distance) P-C4' energy: -11.756
flat angles C4'-P-C4' energy: -11.291
flat angles P-C4'-P energy: -8.489
tors. eta vs tors. theta energy: -1.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -72.563111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.563111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.563111 (E_RNA)
where:
Base-Base interactions energy: -26.142
where: short stacking energy: -26.142
Base-Backbone interact. energy: -0.102
local terms energy: -46.318729
where:
bonds (distance) C4'-P energy: -9.591
bonds (distance) P-C4' energy: -13.343
flat angles C4'-P-C4' energy: -6.492
flat angles P-C4'-P energy: -8.421
tors. eta vs tors. theta energy: -8.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -68.107889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.107889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.107889 (E_RNA)
where:
Base-Base interactions energy: -39.400
where: short stacking energy: -7.839
Base-Backbone interact. energy: -0.919
local terms energy: -27.789557
where:
bonds (distance) C4'-P energy: -9.039
bonds (distance) P-C4' energy: -9.756
flat angles C4'-P-C4' energy: -12.292
flat angles P-C4'-P energy: -3.468
tors. eta vs tors. theta energy: 6.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -65.864476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.864476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.864476 (E_RNA)
where:
Base-Base interactions energy: -17.450
where: short stacking energy: -12.779
Base-Backbone interact. energy: 0.565
local terms energy: -48.979530
where:
bonds (distance) C4'-P energy: -12.944
bonds (distance) P-C4' energy: -11.227
flat angles C4'-P-C4' energy: -10.893
flat angles P-C4'-P energy: -8.260
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: 10, replica: 7
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -66.964659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.964659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.964659 (E_RNA)
where:
Base-Base interactions energy: -30.057
where: short stacking energy: -7.148
Base-Backbone interact. energy: -0.338
local terms energy: -36.569569
where:
bonds (distance) C4'-P energy: -8.779
bonds (distance) P-C4' energy: -12.698
flat angles C4'-P-C4' energy: -7.321
flat angles P-C4'-P energy: -7.148
tors. eta vs tors. theta energy: -0.624
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: 2
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -180.522895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.522895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.522895 (E_RNA)
where:
Base-Base interactions energy: -115.294
where: short stacking energy: -47.261
Base-Backbone interact. energy: -0.056
local terms energy: -65.172114
where:
bonds (distance) C4'-P energy: -14.190
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -10.959
flat angles P-C4'-P energy: -9.426
tors. eta vs tors. theta energy: -16.890
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: 3
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -173.594537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.594537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.594537 (E_RNA)
where:
Base-Base interactions energy: -113.257
where: short stacking energy: -42.142
Base-Backbone interact. energy: 0.403
local terms energy: -60.741052
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -13.672
flat angles C4'-P-C4' energy: -13.918
flat angles P-C4'-P energy: -7.553
tors. eta vs tors. theta energy: -12.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -175.428217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.428217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.428217 (E_RNA)
where:
Base-Base interactions energy: -110.662
where: short stacking energy: -38.047
Base-Backbone interact. energy: -1.379
local terms energy: -63.387298
where:
bonds (distance) C4'-P energy: -13.247
bonds (distance) P-C4' energy: -12.404
flat angles C4'-P-C4' energy: -12.131
flat angles P-C4'-P energy: -10.898
tors. eta vs tors. theta energy: -14.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -169.454597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.454597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.454597 (E_RNA)
where:
Base-Base interactions energy: -107.740
where: short stacking energy: -40.596
Base-Backbone interact. energy: -0.156
local terms energy: -61.558038
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -12.782
flat angles C4'-P-C4' energy: -13.071
flat angles P-C4'-P energy: -6.452
tors. eta vs tors. theta energy: -15.001
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: 5
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -160.051615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.051615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.051615 (E_RNA)
where:
Base-Base interactions energy: -106.554
where: short stacking energy: -44.543
Base-Backbone interact. energy: -0.243
local terms energy: -53.254265
where:
bonds (distance) C4'-P energy: -9.832
bonds (distance) P-C4' energy: -12.411
flat angles C4'-P-C4' energy: -9.724
flat angles P-C4'-P energy: -6.783
tors. eta vs tors. theta energy: -14.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -71.954562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.954562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.954562 (E_RNA)
where:
Base-Base interactions energy: -37.891
where: short stacking energy: -6.568
Base-Backbone interact. energy: -0.202
local terms energy: -33.861815
where:
bonds (distance) C4'-P energy: -13.313
bonds (distance) P-C4' energy: -8.911
flat angles C4'-P-C4' energy: -8.725
flat angles P-C4'-P energy: -4.146
tors. eta vs tors. theta energy: 1.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -77.018783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.018783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.018783 (E_RNA)
where:
Base-Base interactions energy: -36.681
where: short stacking energy: -13.447
Base-Backbone interact. energy: -0.556
local terms energy: -39.781563
where:
bonds (distance) C4'-P energy: -10.407
bonds (distance) P-C4' energy: -11.742
flat angles C4'-P-C4' energy: -11.824
flat angles P-C4'-P energy: -8.282
tors. eta vs tors. theta energy: 2.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -71.070895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.070895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.070895 (E_RNA)
where:
Base-Base interactions energy: -28.056
where: short stacking energy: -26.432
Base-Backbone interact. energy: -0.099
local terms energy: -42.916262
where:
bonds (distance) C4'-P energy: -7.224
bonds (distance) P-C4' energy: -12.187
flat angles C4'-P-C4' energy: -10.117
flat angles P-C4'-P energy: -5.188
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: 9, replica: 7
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -56.390182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.390182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.390182 (E_RNA)
where:
Base-Base interactions energy: -24.052
where: short stacking energy: -6.558
Base-Backbone interact. energy: -0.201
local terms energy: -32.137594
where:
bonds (distance) C4'-P energy: -13.309
bonds (distance) P-C4' energy: -13.025
flat angles C4'-P-C4' energy: -7.877
flat angles P-C4'-P energy: -1.003
tors. eta vs tors. theta energy: 3.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -59.915658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.915658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.915658 (E_RNA)
where:
Base-Base interactions energy: -18.408
where: short stacking energy: -18.408
Base-Backbone interact. energy: -1.096
local terms energy: -40.411495
where:
bonds (distance) C4'-P energy: -10.870
bonds (distance) P-C4' energy: -9.759
flat angles C4'-P-C4' energy: -7.276
flat angles P-C4'-P energy: -11.394
tors. eta vs tors. theta energy: -1.112
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: 1, replica: 2
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -179.600800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.600800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.600800 (E_RNA)
where:
Base-Base interactions energy: -113.577
where: short stacking energy: -46.397
Base-Backbone interact. energy: 0.020
local terms energy: -66.043902
where:
bonds (distance) C4'-P energy: -10.051
bonds (distance) P-C4' energy: -13.920
flat angles C4'-P-C4' energy: -14.868
flat angles P-C4'-P energy: -9.267
tors. eta vs tors. theta energy: -17.938
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: 6
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -176.955024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.955024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.955024 (E_RNA)
where:
Base-Base interactions energy: -116.267
where: short stacking energy: -45.771
Base-Backbone interact. energy: -0.062
local terms energy: -60.626327
where:
bonds (distance) C4'-P energy: -12.662
bonds (distance) P-C4' energy: -11.884
flat angles C4'-P-C4' energy: -8.863
flat angles P-C4'-P energy: -8.604
tors. eta vs tors. theta energy: -18.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -172.678536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.678536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.678536 (E_RNA)
where:
Base-Base interactions energy: -108.073
where: short stacking energy: -43.154
Base-Backbone interact. energy: -0.010
local terms energy: -64.594648
where:
bonds (distance) C4'-P energy: -9.566
bonds (distance) P-C4' energy: -14.424
flat angles C4'-P-C4' energy: -13.345
flat angles P-C4'-P energy: -10.233
tors. eta vs tors. theta energy: -17.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -170.465491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.465491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.465491 (E_RNA)
where:
Base-Base interactions energy: -116.744
where: short stacking energy: -42.403
Base-Backbone interact. energy: -0.003
local terms energy: -53.718858
where:
bonds (distance) C4'-P energy: -9.781
bonds (distance) P-C4' energy: -9.190
flat angles C4'-P-C4' energy: -12.789
flat angles P-C4'-P energy: -6.183
tors. eta vs tors. theta energy: -15.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -136.243059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.243059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.243059 (E_RNA)
where:
Base-Base interactions energy: -85.197
where: short stacking energy: -25.294
Base-Backbone interact. energy: -0.563
local terms energy: -50.482667
where:
bonds (distance) C4'-P energy: -13.445
bonds (distance) P-C4' energy: -10.905
flat angles C4'-P-C4' energy: -10.171
flat angles P-C4'-P energy: -4.304
tors. eta vs tors. theta energy: -11.657
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: 6, replica: 10
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -83.348709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.348709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.348709 (E_RNA)
where:
Base-Base interactions energy: -46.940
where: short stacking energy: -21.633
Base-Backbone interact. energy: -0.227
local terms energy: -36.181475
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -13.116
flat angles C4'-P-C4' energy: -9.745
flat angles P-C4'-P energy: -1.709
tors. eta vs tors. theta energy: 1.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -66.595343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.595343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.595343 (E_RNA)
where:
Base-Base interactions energy: -24.323
where: short stacking energy: -24.323
Base-Backbone interact. energy: -0.004
local terms energy: -42.267959
where:
bonds (distance) C4'-P energy: -12.556
bonds (distance) P-C4' energy: -11.356
flat angles C4'-P-C4' energy: -9.239
flat angles P-C4'-P energy: -2.403
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: 8, replica: 4
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -69.213109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.213109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.213109 (E_RNA)
where:
Base-Base interactions energy: -18.407
where: short stacking energy: -16.173
Base-Backbone interact. energy: -0.005
local terms energy: -50.800926
where:
bonds (distance) C4'-P energy: -12.219
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -11.719
flat angles P-C4'-P energy: -7.745
tors. eta vs tors. theta energy: -6.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -69.330990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.330990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.330990 (E_RNA)
where:
Base-Base interactions energy: -38.453
where: short stacking energy: -15.755
Base-Backbone interact. energy: 2.525
local terms energy: -33.403252
where:
bonds (distance) C4'-P energy: -5.741
bonds (distance) P-C4' energy: -12.017
flat angles C4'-P-C4' energy: -11.825
flat angles P-C4'-P energy: -5.666
tors. eta vs tors. theta energy: 1.846
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: 393
Temperature: 1.350000
Total energy: -57.178037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.178037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.178037 (E_RNA)
where:
Base-Base interactions energy: -22.034
where: short stacking energy: -15.837
Base-Backbone interact. energy: 0.743
local terms energy: -35.887203
where:
bonds (distance) C4'-P energy: -10.789
bonds (distance) P-C4' energy: -14.131
flat angles C4'-P-C4' energy: -6.538
flat angles P-C4'-P energy: -5.321
tors. eta vs tors. theta energy: 0.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -183.555585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.555585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.555585 (E_RNA)
where:
Base-Base interactions energy: -120.541
where: short stacking energy: -48.137
Base-Backbone interact. energy: -0.038
local terms energy: -62.977390
where:
bonds (distance) C4'-P energy: -11.616
bonds (distance) P-C4' energy: -11.939
flat angles C4'-P-C4' energy: -14.375
flat angles P-C4'-P energy: -8.652
tors. eta vs tors. theta energy: -16.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -179.520491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.520491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.520491 (E_RNA)
where:
Base-Base interactions energy: -120.968
where: short stacking energy: -42.491
Base-Backbone interact. energy: -0.054
local terms energy: -58.497923
where:
bonds (distance) C4'-P energy: -10.490
bonds (distance) P-C4' energy: -12.272
flat angles C4'-P-C4' energy: -12.943
flat angles P-C4'-P energy: -8.202
tors. eta vs tors. theta energy: -14.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -180.771146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.771146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.771146 (E_RNA)
where:
Base-Base interactions energy: -120.002
where: short stacking energy: -45.041
Base-Backbone interact. energy: -0.014
local terms energy: -60.755407
where:
bonds (distance) C4'-P energy: -11.632
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -12.525
flat angles P-C4'-P energy: -6.110
tors. eta vs tors. theta energy: -16.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -146.039570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.039570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.039570 (E_RNA)
where:
Base-Base interactions energy: -92.195
where: short stacking energy: -31.565
Base-Backbone interact. energy: -0.316
local terms energy: -53.529014
where:
bonds (distance) C4'-P energy: -6.969
bonds (distance) P-C4' energy: -14.398
flat angles C4'-P-C4' energy: -13.802
flat angles P-C4'-P energy: -9.242
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: 5
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -125.067430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.067430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.067430 (E_RNA)
where:
Base-Base interactions energy: -78.086
where: short stacking energy: -24.277
Base-Backbone interact. energy: -0.183
local terms energy: -46.798114
where:
bonds (distance) C4'-P energy: -5.215
bonds (distance) P-C4' energy: -14.061
flat angles C4'-P-C4' energy: -13.345
flat angles P-C4'-P energy: -5.968
tors. eta vs tors. theta energy: -8.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -74.498361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.498361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.498361 (E_RNA)
where:
Base-Base interactions energy: -37.492
where: short stacking energy: -10.583
Base-Backbone interact. energy: -0.424
local terms energy: -36.582155
where:
bonds (distance) C4'-P energy: -8.381
bonds (distance) P-C4' energy: -11.621
flat angles C4'-P-C4' energy: -8.728
flat angles P-C4'-P energy: -9.568
tors. eta vs tors. theta energy: 1.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -60.305358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.305358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.305358 (E_RNA)
where:
Base-Base interactions energy: -25.371
where: short stacking energy: -12.411
Base-Backbone interact. energy: -0.005
local terms energy: -34.928722
where:
bonds (distance) C4'-P energy: -8.841
bonds (distance) P-C4' energy: -10.321
flat angles C4'-P-C4' energy: -11.896
flat angles P-C4'-P energy: -4.870
tors. eta vs tors. theta energy: 1.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -64.666725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.666725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.666725 (E_RNA)
where:
Base-Base interactions energy: -23.911
where: short stacking energy: -23.911
Base-Backbone interact. energy: -0.045
local terms energy: -40.709851
where:
bonds (distance) C4'-P energy: -9.934
bonds (distance) P-C4' energy: -7.760
flat angles C4'-P-C4' energy: -12.846
flat angles P-C4'-P energy: -6.917
tors. eta vs tors. theta energy: -3.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -67.204269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.204269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.204269 (E_RNA)
where:
Base-Base interactions energy: -21.448
where: short stacking energy: -17.688
Base-Backbone interact. energy: -0.138
local terms energy: -45.618734
where:
bonds (distance) C4'-P energy: -10.427
bonds (distance) P-C4' energy: -13.070
flat angles C4'-P-C4' energy: -11.136
flat angles P-C4'-P energy: -7.396
tors. eta vs tors. theta energy: -3.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -56.998340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.998340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.998340 (E_RNA)
where:
Base-Base interactions energy: -15.694
where: short stacking energy: -15.453
Base-Backbone interact. energy: -0.053
local terms energy: -41.251976
where:
bonds (distance) C4'-P energy: -11.057
bonds (distance) P-C4' energy: -13.374
flat angles C4'-P-C4' energy: -12.155
flat angles P-C4'-P energy: -2.428
tors. eta vs tors. theta energy: -2.237
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: 1, replica: 6
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -180.346818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.346818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.346818 (E_RNA)
where:
Base-Base interactions energy: -122.226
where: short stacking energy: -49.620
Base-Backbone interact. energy: -0.005
local terms energy: -58.115303
where:
bonds (distance) C4'-P energy: -12.522
bonds (distance) P-C4' energy: -8.023
flat angles C4'-P-C4' energy: -11.850
flat angles P-C4'-P energy: -11.397
tors. eta vs tors. theta energy: -14.324
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: 395
Temperature: 0.950000
Total energy: -180.152392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.152392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.152392 (E_RNA)
where:
Base-Base interactions energy: -123.532
where: short stacking energy: -43.415
Base-Backbone interact. energy: -0.020
local terms energy: -56.600162
where:
bonds (distance) C4'-P energy: -9.893
bonds (distance) P-C4' energy: -12.282
flat angles C4'-P-C4' energy: -12.657
flat angles P-C4'-P energy: -4.513
tors. eta vs tors. theta energy: -17.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -175.894321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.894321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.894321 (E_RNA)
where:
Base-Base interactions energy: -117.912
where: short stacking energy: -48.652
Base-Backbone interact. energy: -0.001
local terms energy: -57.981809
where:
bonds (distance) C4'-P energy: -10.664
bonds (distance) P-C4' energy: -10.273
flat angles C4'-P-C4' energy: -9.964
flat angles P-C4'-P energy: -11.496
tors. eta vs tors. theta energy: -15.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -121.655606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.655606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.655606 (E_RNA)
where:
Base-Base interactions energy: -70.405
where: short stacking energy: -33.060
Base-Backbone interact. energy: -0.009
local terms energy: -51.242216
where:
bonds (distance) C4'-P energy: -12.227
bonds (distance) P-C4' energy: -10.748
flat angles C4'-P-C4' energy: -12.936
flat angles P-C4'-P energy: -6.746
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: 5, replica: 3
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -140.942650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.942650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.942650 (E_RNA)
where:
Base-Base interactions energy: -99.214
where: short stacking energy: -26.411
Base-Backbone interact. energy: -0.193
local terms energy: -41.535571
where:
bonds (distance) C4'-P energy: -11.074
bonds (distance) P-C4' energy: -10.809
flat angles C4'-P-C4' energy: -9.132
flat angles P-C4'-P energy: -3.890
tors. eta vs tors. theta energy: -6.631
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: 6, replica: 10
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -89.729057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.729057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.729057 (E_RNA)
where:
Base-Base interactions energy: -49.310
where: short stacking energy: -14.252
Base-Backbone interact. energy: 1.043
local terms energy: -41.462168
where:
bonds (distance) C4'-P energy: -8.395
bonds (distance) P-C4' energy: -12.511
flat angles C4'-P-C4' energy: -12.443
flat angles P-C4'-P energy: -9.381
tors. eta vs tors. theta energy: 1.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -66.567915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.567915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.567915 (E_RNA)
where:
Base-Base interactions energy: -26.633
where: short stacking energy: -15.541
Base-Backbone interact. energy: -0.124
local terms energy: -39.811443
where:
bonds (distance) C4'-P energy: -13.222
bonds (distance) P-C4' energy: -12.809
flat angles C4'-P-C4' energy: -9.255
flat angles P-C4'-P energy: -3.993
tors. eta vs tors. theta energy: -0.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -74.599070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.599070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.599070 (E_RNA)
where:
Base-Base interactions energy: -31.493
where: short stacking energy: -17.887
Base-Backbone interact. energy: -0.038
local terms energy: -43.067903
where:
bonds (distance) C4'-P energy: -7.878
bonds (distance) P-C4' energy: -15.330
flat angles C4'-P-C4' energy: -12.421
flat angles P-C4'-P energy: -3.819
tors. eta vs tors. theta energy: -3.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -62.771605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.771605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.771605 (E_RNA)
where:
Base-Base interactions energy: -20.396
where: short stacking energy: -15.614
Base-Backbone interact. energy: -0.035
local terms energy: -42.340210
where:
bonds (distance) C4'-P energy: -11.098
bonds (distance) P-C4' energy: -12.433
flat angles C4'-P-C4' energy: -9.765
flat angles P-C4'-P energy: -5.885
tors. eta vs tors. theta energy: -3.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -61.311490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.311490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.311490 (E_RNA)
where:
Base-Base interactions energy: -24.398
where: short stacking energy: -12.155
Base-Backbone interact. energy: 3.285
local terms energy: -40.198515
where:
bonds (distance) C4'-P energy: -8.729
bonds (distance) P-C4' energy: -10.732
flat angles C4'-P-C4' energy: -13.550
flat angles P-C4'-P energy: -7.386
tors. eta vs tors. theta energy: 0.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -184.287638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.287638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.287638 (E_RNA)
where:
Base-Base interactions energy: -115.013
where: short stacking energy: -46.546
Base-Backbone interact. energy: -0.140
local terms energy: -69.133839
where:
bonds (distance) C4'-P energy: -13.790
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -14.774
flat angles P-C4'-P energy: -10.668
tors. eta vs tors. theta energy: -15.728
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: 6
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -181.319853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.319853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.319853 (E_RNA)
where:
Base-Base interactions energy: -114.087
where: short stacking energy: -48.310
Base-Backbone interact. energy: -0.002
local terms energy: -67.230776
where:
bonds (distance) C4'-P energy: -15.097
bonds (distance) P-C4' energy: -10.996
flat angles C4'-P-C4' energy: -14.899
flat angles P-C4'-P energy: -9.414
tors. eta vs tors. theta energy: -16.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -133.756690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.756690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.756690 (E_RNA)
where:
Base-Base interactions energy: -79.800
where: short stacking energy: -37.524
Base-Backbone interact. energy: -0.002
local terms energy: -53.954466
where:
bonds (distance) C4'-P energy: -9.968
bonds (distance) P-C4' energy: -13.374
flat angles C4'-P-C4' energy: -11.345
flat angles P-C4'-P energy: -9.648
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: 4, replica: 2
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -172.533619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.533619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.533619 (E_RNA)
where:
Base-Base interactions energy: -111.524
where: short stacking energy: -45.262
Base-Backbone interact. energy: -0.013
local terms energy: -60.997507
where:
bonds (distance) C4'-P energy: -13.719
bonds (distance) P-C4' energy: -13.343
flat angles C4'-P-C4' energy: -11.145
flat angles P-C4'-P energy: -6.919
tors. eta vs tors. theta energy: -15.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -70.589072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.589072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.589072 (E_RNA)
where:
Base-Base interactions energy: -25.994
where: short stacking energy: -17.994
Base-Backbone interact. energy: 1.725
local terms energy: -46.319551
where:
bonds (distance) C4'-P energy: -10.468
bonds (distance) P-C4' energy: -10.980
flat angles C4'-P-C4' energy: -11.287
flat angles P-C4'-P energy: -7.991
tors. eta vs tors. theta energy: -5.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -123.857735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.857735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.857735 (E_RNA)
where:
Base-Base interactions energy: -81.197
where: short stacking energy: -28.947
Base-Backbone interact. energy: -0.463
local terms energy: -42.197837
where:
bonds (distance) C4'-P energy: -12.547
bonds (distance) P-C4' energy: -10.319
flat angles C4'-P-C4' energy: -9.602
flat angles P-C4'-P energy: -6.409
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: 7, replica: 8
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -88.550154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.550154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.550154 (E_RNA)
where:
Base-Base interactions energy: -49.302
where: short stacking energy: -13.462
Base-Backbone interact. energy: -0.231
local terms energy: -39.016623
where:
bonds (distance) C4'-P energy: -11.463
bonds (distance) P-C4' energy: -10.441
flat angles C4'-P-C4' energy: -8.792
flat angles P-C4'-P energy: -8.264
tors. eta vs tors. theta energy: -0.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -71.317825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.317825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.317825 (E_RNA)
where:
Base-Base interactions energy: -36.973
where: short stacking energy: -9.111
Base-Backbone interact. energy: -0.427
local terms energy: -33.917938
where:
bonds (distance) C4'-P energy: -11.897
bonds (distance) P-C4' energy: -12.140
flat angles C4'-P-C4' energy: -9.525
flat angles P-C4'-P energy: -1.990
tors. eta vs tors. theta energy: 1.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -58.349286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.349286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.349286 (E_RNA)
where:
Base-Base interactions energy: -19.271
where: short stacking energy: -14.382
Base-Backbone interact. energy: -0.134
local terms energy: -38.944711
where:
bonds (distance) C4'-P energy: -8.642
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -12.359
flat angles P-C4'-P energy: -5.236
tors. eta vs tors. theta energy: -0.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -63.102427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.102427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.102427 (E_RNA)
where:
Base-Base interactions energy: -25.860
where: short stacking energy: -10.117
Base-Backbone interact. energy: 0.403
local terms energy: -37.645868
where:
bonds (distance) C4'-P energy: -10.745
bonds (distance) P-C4' energy: -13.251
flat angles C4'-P-C4' energy: -9.412
flat angles P-C4'-P energy: -5.169
tors. eta vs tors. theta energy: 0.931
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: 397
Temperature: 0.900000
Total energy: -174.465680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.465680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.465680 (E_RNA)
where:
Base-Base interactions energy: -115.837
where: short stacking energy: -32.390
Base-Backbone interact. energy: -0.377
local terms energy: -58.251978
where:
bonds (distance) C4'-P energy: -11.897
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -12.824
flat angles P-C4'-P energy: -7.502
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: 2, replica: 6
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -172.429822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.429822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.429822 (E_RNA)
where:
Base-Base interactions energy: -114.185
where: short stacking energy: -40.901
Base-Backbone interact. energy: -0.068
local terms energy: -58.176660
where:
bonds (distance) C4'-P energy: -11.546
bonds (distance) P-C4' energy: -12.501
flat angles C4'-P-C4' energy: -12.946
flat angles P-C4'-P energy: -6.392
tors. eta vs tors. theta energy: -14.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -146.102636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.102636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.102636 (E_RNA)
where:
Base-Base interactions energy: -85.781
where: short stacking energy: -37.877
Base-Backbone interact. energy: -0.021
local terms energy: -60.300188
where:
bonds (distance) C4'-P energy: -11.782
bonds (distance) P-C4' energy: -13.257
flat angles C4'-P-C4' energy: -14.206
flat angles P-C4'-P energy: -9.088
tors. eta vs tors. theta energy: -11.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -153.106154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.106154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.106154 (E_RNA)
where:
Base-Base interactions energy: -107.704
where: short stacking energy: -33.644
Base-Backbone interact. energy: -0.194
local terms energy: -45.208396
where:
bonds (distance) C4'-P energy: -9.570
bonds (distance) P-C4' energy: -10.692
flat angles C4'-P-C4' energy: -6.169
flat angles P-C4'-P energy: -8.168
tors. eta vs tors. theta energy: -10.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -86.275080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.275080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.275080 (E_RNA)
where:
Base-Base interactions energy: -38.285
where: short stacking energy: -24.798
Base-Backbone interact. energy: -0.001
local terms energy: -47.988577
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -11.573
flat angles C4'-P-C4' energy: -11.585
flat angles P-C4'-P energy: -3.815
tors. eta vs tors. theta energy: -7.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -121.173999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.173999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.173999 (E_RNA)
where:
Base-Base interactions energy: -78.634
where: short stacking energy: -31.846
Base-Backbone interact. energy: -0.006
local terms energy: -42.534466
where:
bonds (distance) C4'-P energy: -8.870
bonds (distance) P-C4' energy: -13.591
flat angles C4'-P-C4' energy: -10.975
flat angles P-C4'-P energy: -2.952
tors. eta vs tors. theta energy: -6.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -106.410615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.410615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.410615 (E_RNA)
where:
Base-Base interactions energy: -57.091
where: short stacking energy: -31.617
Base-Backbone interact. energy: -0.086
local terms energy: -49.233650
where:
bonds (distance) C4'-P energy: -9.645
bonds (distance) P-C4' energy: -10.954
flat angles C4'-P-C4' energy: -13.168
flat angles P-C4'-P energy: -7.131
tors. eta vs tors. theta energy: -8.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -60.399194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.399194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.399194 (E_RNA)
where:
Base-Base interactions energy: -24.168
where: short stacking energy: -18.845
Base-Backbone interact. energy: -0.123
local terms energy: -36.107804
where:
bonds (distance) C4'-P energy: -11.393
bonds (distance) P-C4' energy: -7.136
flat angles C4'-P-C4' energy: -8.822
flat angles P-C4'-P energy: -10.027
tors. eta vs tors. theta energy: 1.270
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: 7
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -70.573642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.573642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.573642 (E_RNA)
where:
Base-Base interactions energy: -44.513
where: short stacking energy: -13.977
Base-Backbone interact. energy: -0.125
local terms energy: -25.936014
where:
bonds (distance) C4'-P energy: -2.182
bonds (distance) P-C4' energy: -10.414
flat angles C4'-P-C4' energy: -9.376
flat angles P-C4'-P energy: -5.098
tors. eta vs tors. theta energy: 1.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -58.231134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.231134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.231134 (E_RNA)
where:
Base-Base interactions energy: -19.758
where: short stacking energy: -10.451
Base-Backbone interact. energy: -0.189
local terms energy: -38.284481
where:
bonds (distance) C4'-P energy: -9.768
bonds (distance) P-C4' energy: -12.757
flat angles C4'-P-C4' energy: -9.382
flat angles P-C4'-P energy: -5.996
tors. eta vs tors. theta energy: -0.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -186.713822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.713822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.713822 (E_RNA)
where:
Base-Base interactions energy: -121.127
where: short stacking energy: -50.324
Base-Backbone interact. energy: -0.047
local terms energy: -65.539657
where:
bonds (distance) C4'-P energy: -13.326
bonds (distance) P-C4' energy: -10.150
flat angles C4'-P-C4' energy: -15.110
flat angles P-C4'-P energy: -10.669
tors. eta vs tors. theta energy: -16.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -176.849969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.849969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.849969 (E_RNA)
where:
Base-Base interactions energy: -119.205
where: short stacking energy: -37.539
Base-Backbone interact. energy: -0.080
local terms energy: -57.564936
where:
bonds (distance) C4'-P energy: -11.339
bonds (distance) P-C4' energy: -13.644
flat angles C4'-P-C4' energy: -13.757
flat angles P-C4'-P energy: -8.187
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: 2
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -171.742127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.742127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.742127 (E_RNA)
where:
Base-Base interactions energy: -112.915
where: short stacking energy: -41.184
Base-Backbone interact. energy: -0.048
local terms energy: -58.779433
where:
bonds (distance) C4'-P energy: -11.430
bonds (distance) P-C4' energy: -11.353
flat angles C4'-P-C4' energy: -13.898
flat angles P-C4'-P energy: -8.816
tors. eta vs tors. theta energy: -13.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -159.507778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.507778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.507778 (E_RNA)
where:
Base-Base interactions energy: -112.047
where: short stacking energy: -39.520
Base-Backbone interact. energy: -0.336
local terms energy: -47.124640
where:
bonds (distance) C4'-P energy: -10.902
bonds (distance) P-C4' energy: -10.818
flat angles C4'-P-C4' energy: -9.322
flat angles P-C4'-P energy: -4.841
tors. eta vs tors. theta energy: -11.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -125.688250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.688250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.688250 (E_RNA)
where:
Base-Base interactions energy: -81.624
where: short stacking energy: -30.913
Base-Backbone interact. energy: -0.114
local terms energy: -43.950240
where:
bonds (distance) C4'-P energy: -10.081
bonds (distance) P-C4' energy: -12.785
flat angles C4'-P-C4' energy: -6.675
flat angles P-C4'-P energy: -5.120
tors. eta vs tors. theta energy: -9.290
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: 10
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -80.949622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.949622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.949622 (E_RNA)
where:
Base-Base interactions energy: -29.959
where: short stacking energy: -29.959
Base-Backbone interact. energy: 0.184
local terms energy: -51.174690
where:
bonds (distance) C4'-P energy: -10.503
bonds (distance) P-C4' energy: -13.405
flat angles C4'-P-C4' energy: -13.781
flat angles P-C4'-P energy: -6.476
tors. eta vs tors. theta energy: -7.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -107.064124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.064124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.064124 (E_RNA)
where:
Base-Base interactions energy: -61.033
where: short stacking energy: -19.725
Base-Backbone interact. energy: -0.006
local terms energy: -46.024381
where:
bonds (distance) C4'-P energy: -12.031
bonds (distance) P-C4' energy: -13.121
flat angles C4'-P-C4' energy: -9.056
flat angles P-C4'-P energy: -5.679
tors. eta vs tors. theta energy: -6.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -70.515020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.515020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.515020 (E_RNA)
where:
Base-Base interactions energy: -33.051
where: short stacking energy: -15.376
Base-Backbone interact. energy: -0.128
local terms energy: -37.335396
where:
bonds (distance) C4'-P energy: -6.360
bonds (distance) P-C4' energy: -9.986
flat angles C4'-P-C4' energy: -9.899
flat angles P-C4'-P energy: -10.707
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: 9, replica: 4
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -59.366369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.366369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.366369 (E_RNA)
where:
Base-Base interactions energy: -22.861
where: short stacking energy: -22.861
Base-Backbone interact. energy: 1.049
local terms energy: -37.553649
where:
bonds (distance) C4'-P energy: -7.732
bonds (distance) P-C4' energy: -10.787
flat angles C4'-P-C4' energy: -9.588
flat angles P-C4'-P energy: -6.508
tors. eta vs tors. theta energy: -2.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -55.363475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.363475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.363475 (E_RNA)
where:
Base-Base interactions energy: -15.456
where: short stacking energy: -2.342
Base-Backbone interact. energy: -0.463
local terms energy: -39.443960
where:
bonds (distance) C4'-P energy: -10.492
bonds (distance) P-C4' energy: -11.532
flat angles C4'-P-C4' energy: -10.659
flat angles P-C4'-P energy: -11.415
tors. eta vs tors. theta energy: 4.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -179.826002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.826002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.826002 (E_RNA)
where:
Base-Base interactions energy: -116.478
where: short stacking energy: -45.578
Base-Backbone interact. energy: -0.004
local terms energy: -63.344217
where:
bonds (distance) C4'-P energy: -12.589
bonds (distance) P-C4' energy: -13.146
flat angles C4'-P-C4' energy: -14.747
flat angles P-C4'-P energy: -7.399
tors. eta vs tors. theta energy: -15.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -179.496271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.496271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.496271 (E_RNA)
where:
Base-Base interactions energy: -117.325
where: short stacking energy: -46.003
Base-Backbone interact. energy: 0.009
local terms energy: -62.179376
where:
bonds (distance) C4'-P energy: -11.119
bonds (distance) P-C4' energy: -11.542
flat angles C4'-P-C4' energy: -15.357
flat angles P-C4'-P energy: -8.012
tors. eta vs tors. theta energy: -16.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -171.203028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.203028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.203028 (E_RNA)
where:
Base-Base interactions energy: -111.367
where: short stacking energy: -42.192
Base-Backbone interact. energy: -0.013
local terms energy: -59.823585
where:
bonds (distance) C4'-P energy: -13.984
bonds (distance) P-C4' energy: -12.871
flat angles C4'-P-C4' energy: -13.731
flat angles P-C4'-P energy: -5.845
tors. eta vs tors. theta energy: -13.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -128.490303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.490303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.490303 (E_RNA)
where:
Base-Base interactions energy: -78.058
where: short stacking energy: -30.233
Base-Backbone interact. energy: -0.021
local terms energy: -50.410857
where:
bonds (distance) C4'-P energy: -11.699
bonds (distance) P-C4' energy: -10.964
flat angles C4'-P-C4' energy: -9.493
flat angles P-C4'-P energy: -5.618
tors. eta vs tors. theta energy: -12.637
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: 5
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -119.245551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.245551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.245551 (E_RNA)
where:
Base-Base interactions energy: -70.226
where: short stacking energy: -32.191
Base-Backbone interact. energy: -0.175
local terms energy: -48.844684
where:
bonds (distance) C4'-P energy: -11.401
bonds (distance) P-C4' energy: -8.509
flat angles C4'-P-C4' energy: -13.803
flat angles P-C4'-P energy: -7.271
tors. eta vs tors. theta energy: -7.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -68.587678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.587678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.587678 (E_RNA)
where:
Base-Base interactions energy: -22.309
where: short stacking energy: -7.927
Base-Backbone interact. energy: -0.148
local terms energy: -46.130754
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -14.843
flat angles C4'-P-C4' energy: -10.749
flat angles P-C4'-P energy: -9.696
tors. eta vs tors. theta energy: 1.840
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: 8
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -97.879548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.879548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.879548 (E_RNA)
where:
Base-Base interactions energy: -57.331
where: short stacking energy: -33.667
Base-Backbone interact. energy: -0.085
local terms energy: -40.462654
where:
bonds (distance) C4'-P energy: -12.460
bonds (distance) P-C4' energy: -9.593
flat angles C4'-P-C4' energy: -9.865
flat angles P-C4'-P energy: -3.098
tors. eta vs tors. theta energy: -5.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -64.541724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.541724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.541724 (E_RNA)
where:
Base-Base interactions energy: -26.741
where: short stacking energy: -21.321
Base-Backbone interact. energy: -0.100
local terms energy: -37.700774
where:
bonds (distance) C4'-P energy: -13.052
bonds (distance) P-C4' energy: -12.430
flat angles C4'-P-C4' energy: -2.004
flat angles P-C4'-P energy: -9.597
tors. eta vs tors. theta energy: -0.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -67.058140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.058140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.058140 (E_RNA)
where:
Base-Base interactions energy: -23.921
where: short stacking energy: -14.941
Base-Backbone interact. energy: -0.136
local terms energy: -43.000397
where:
bonds (distance) C4'-P energy: -10.498
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -6.837
flat angles P-C4'-P energy: -8.062
tors. eta vs tors. theta energy: -2.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -68.121508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.121508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.121508 (E_RNA)
where:
Base-Base interactions energy: -26.742
where: short stacking energy: -14.285
Base-Backbone interact. energy: -0.046
local terms energy: -41.332691
where:
bonds (distance) C4'-P energy: -10.514
bonds (distance) P-C4' energy: -12.416
flat angles C4'-P-C4' energy: -11.892
flat angles P-C4'-P energy: -4.333
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: 6
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -181.148532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.148532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.148532 (E_RNA)
where:
Base-Base interactions energy: -112.749
where: short stacking energy: -46.795
Base-Backbone interact. energy: -0.013
local terms energy: -68.386535
where:
bonds (distance) C4'-P energy: -13.479
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -13.675
flat angles P-C4'-P energy: -10.029
tors. eta vs tors. theta energy: -16.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -180.887535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.887535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.887535 (E_RNA)
where:
Base-Base interactions energy: -114.823
where: short stacking energy: -50.109
Base-Backbone interact. energy: -0.027
local terms energy: -66.037247
where:
bonds (distance) C4'-P energy: -11.782
bonds (distance) P-C4' energy: -13.839
flat angles C4'-P-C4' energy: -11.715
flat angles P-C4'-P energy: -10.489
tors. eta vs tors. theta energy: -18.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -176.780325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.780325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.780325 (E_RNA)
where:
Base-Base interactions energy: -111.040
where: short stacking energy: -45.573
Base-Backbone interact. energy: -0.754
local terms energy: -64.985878
where:
bonds (distance) C4'-P energy: -13.806
bonds (distance) P-C4' energy: -11.894
flat angles C4'-P-C4' energy: -15.309
flat angles P-C4'-P energy: -9.246
tors. eta vs tors. theta energy: -14.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -135.586381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.586381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.586381 (E_RNA)
where:
Base-Base interactions energy: -80.415
where: short stacking energy: -29.582
Base-Backbone interact. energy: -0.011
local terms energy: -55.159709
where:
bonds (distance) C4'-P energy: -11.181
bonds (distance) P-C4' energy: -14.382
flat angles C4'-P-C4' energy: -12.135
flat angles P-C4'-P energy: -8.873
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: 5, replica: 10
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -76.758645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.758645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.758645 (E_RNA)
where:
Base-Base interactions energy: -31.325
where: short stacking energy: -26.903
Base-Backbone interact. energy: -0.127
local terms energy: -45.306638
where:
bonds (distance) C4'-P energy: -11.487
bonds (distance) P-C4' energy: -10.377
flat angles C4'-P-C4' energy: -11.154
flat angles P-C4'-P energy: -4.769
tors. eta vs tors. theta energy: -7.519
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: 5
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -95.052057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.052057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.052057 (E_RNA)
where:
Base-Base interactions energy: -52.488
where: short stacking energy: -15.500
Base-Backbone interact. energy: -1.447
local terms energy: -41.117355
where:
bonds (distance) C4'-P energy: -6.887
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -12.520
flat angles P-C4'-P energy: -0.969
tors. eta vs tors. theta energy: -5.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -84.612741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.612741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.612741 (E_RNA)
where:
Base-Base interactions energy: -39.642
where: short stacking energy: -10.764
Base-Backbone interact. energy: -0.717
local terms energy: -44.253841
where:
bonds (distance) C4'-P energy: -12.568
bonds (distance) P-C4' energy: -12.042
flat angles C4'-P-C4' energy: -13.541
flat angles P-C4'-P energy: -4.345
tors. eta vs tors. theta energy: -1.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -80.198356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.198356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.198356 (E_RNA)
where:
Base-Base interactions energy: -46.450
where: short stacking energy: -17.063
Base-Backbone interact. energy: -0.099
local terms energy: -33.649158
where:
bonds (distance) C4'-P energy: -7.079
bonds (distance) P-C4' energy: -10.770
flat angles C4'-P-C4' energy: -5.220
flat angles P-C4'-P energy: -7.160
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: 9, replica: 7
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -64.867637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.867637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.867637 (E_RNA)
where:
Base-Base interactions energy: -23.175
where: short stacking energy: -6.305
Base-Backbone interact. energy: -0.602
local terms energy: -41.090110
where:
bonds (distance) C4'-P energy: -11.607
bonds (distance) P-C4' energy: -12.637
flat angles C4'-P-C4' energy: -9.559
flat angles P-C4'-P energy: -7.912
tors. eta vs tors. theta energy: 0.625
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: 9
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -70.876074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.876074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.876074 (E_RNA)
where:
Base-Base interactions energy: -32.383
where: short stacking energy: -17.454
Base-Backbone interact. energy: -0.240
local terms energy: -38.253158
where:
bonds (distance) C4'-P energy: -9.083
bonds (distance) P-C4' energy: -14.547
flat angles C4'-P-C4' energy: -6.316
flat angles P-C4'-P energy: -4.592
tors. eta vs tors. theta energy: -3.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -176.108822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.108822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.108822 (E_RNA)
where:
Base-Base interactions energy: -114.073
where: short stacking energy: -47.885
Base-Backbone interact. energy: -0.008
local terms energy: -62.027316
where:
bonds (distance) C4'-P energy: -13.656
bonds (distance) P-C4' energy: -14.349
flat angles C4'-P-C4' energy: -8.750
flat angles P-C4'-P energy: -9.585
tors. eta vs tors. theta energy: -15.688
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: 1
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -176.099822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.099822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.099822 (E_RNA)
where:
Base-Base interactions energy: -115.741
where: short stacking energy: -50.217
Base-Backbone interact. energy: 0.159
local terms energy: -60.517026
where:
bonds (distance) C4'-P energy: -13.379
bonds (distance) P-C4' energy: -12.214
flat angles C4'-P-C4' energy: -14.106
flat angles P-C4'-P energy: -4.494
tors. eta vs tors. theta energy: -16.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -174.793595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.793595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.793595 (E_RNA)
where:
Base-Base interactions energy: -112.858
where: short stacking energy: -42.376
Base-Backbone interact. energy: -0.111
local terms energy: -61.824880
where:
bonds (distance) C4'-P energy: -10.741
bonds (distance) P-C4' energy: -13.476
flat angles C4'-P-C4' energy: -12.483
flat angles P-C4'-P energy: -7.591
tors. eta vs tors. theta energy: -17.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -130.359503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.359503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.359503 (E_RNA)
where:
Base-Base interactions energy: -86.340
where: short stacking energy: -36.678
Base-Backbone interact. energy: -0.666
local terms energy: -43.353115
where:
bonds (distance) C4'-P energy: -7.032
bonds (distance) P-C4' energy: -11.524
flat angles C4'-P-C4' energy: -9.412
flat angles P-C4'-P energy: -6.387
tors. eta vs tors. theta energy: -8.998
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: 5, replica: 10
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -91.834755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.834755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.834755 (E_RNA)
where:
Base-Base interactions energy: -50.334
where: short stacking energy: -29.644
Base-Backbone interact. energy: -0.771
local terms energy: -40.729809
where:
bonds (distance) C4'-P energy: -13.185
bonds (distance) P-C4' energy: -8.420
flat angles C4'-P-C4' energy: -5.290
flat angles P-C4'-P energy: -8.232
tors. eta vs tors. theta energy: -5.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -142.554821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.554821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.554821 (E_RNA)
where:
Base-Base interactions energy: -104.802
where: short stacking energy: -30.627
Base-Backbone interact. energy: -0.473
local terms energy: -37.279144
where:
bonds (distance) C4'-P energy: -7.429
bonds (distance) P-C4' energy: -10.877
flat angles C4'-P-C4' energy: -7.514
flat angles P-C4'-P energy: -4.815
tors. eta vs tors. theta energy: -6.644
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: 7, replica: 5
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -86.545753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.545753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.545753 (E_RNA)
where:
Base-Base interactions energy: -43.119
where: short stacking energy: -13.848
Base-Backbone interact. energy: -0.306
local terms energy: -43.120961
where:
bonds (distance) C4'-P energy: -13.114
bonds (distance) P-C4' energy: -11.269
flat angles C4'-P-C4' energy: -10.228
flat angles P-C4'-P energy: -6.461
tors. eta vs tors. theta energy: -2.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -79.490060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.490060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.490060 (E_RNA)
where:
Base-Base interactions energy: -37.613
where: short stacking energy: -23.903
Base-Backbone interact. energy: -0.261
local terms energy: -41.616719
where:
bonds (distance) C4'-P energy: -8.391
bonds (distance) P-C4' energy: -12.567
flat angles C4'-P-C4' energy: -10.360
flat angles P-C4'-P energy: -2.441
tors. eta vs tors. theta energy: -7.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -61.139964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.139964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.139964 (E_RNA)
where:
Base-Base interactions energy: -33.821
where: short stacking energy: -9.123
Base-Backbone interact. energy: -0.180
local terms energy: -27.139262
where:
bonds (distance) C4'-P energy: -5.505
bonds (distance) P-C4' energy: -9.657
flat angles C4'-P-C4' energy: -7.126
flat angles P-C4'-P energy: -5.945
tors. eta vs tors. theta energy: 1.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -50.712154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.712154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.712154 (E_RNA)
where:
Base-Base interactions energy: -14.059
where: short stacking energy: -3.284
Base-Backbone interact. energy: -0.427
local terms energy: -36.225998
where:
bonds (distance) C4'-P energy: -12.763
bonds (distance) P-C4' energy: -13.014
flat angles C4'-P-C4' energy: -8.425
flat angles P-C4'-P energy: -3.596
tors. eta vs tors. theta energy: 1.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -184.030943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.030943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.030943 (E_RNA)
where:
Base-Base interactions energy: -121.928
where: short stacking energy: -52.643
Base-Backbone interact. energy: 1.045
local terms energy: -63.147361
where:
bonds (distance) C4'-P energy: -12.850
bonds (distance) P-C4' energy: -11.929
flat angles C4'-P-C4' energy: -14.319
flat angles P-C4'-P energy: -8.325
tors. eta vs tors. theta energy: -15.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -176.724953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.724953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.724953 (E_RNA)
where:
Base-Base interactions energy: -107.752
where: short stacking energy: -48.450
Base-Backbone interact. energy: -0.005
local terms energy: -68.967887
where:
bonds (distance) C4'-P energy: -10.949
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -13.488
flat angles P-C4'-P energy: -11.191
tors. eta vs tors. theta energy: -18.476
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: 2
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -172.555776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.555776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.555776 (E_RNA)
where:
Base-Base interactions energy: -109.582
where: short stacking energy: -40.929
Base-Backbone interact. energy: -0.097
local terms energy: -62.876922
where:
bonds (distance) C4'-P energy: -8.830
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -15.307
flat angles P-C4'-P energy: -7.191
tors. eta vs tors. theta energy: -16.936
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: 3
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -136.381908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.381908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.381908 (E_RNA)
where:
Base-Base interactions energy: -84.383
where: short stacking energy: -34.190
Base-Backbone interact. energy: -0.028
local terms energy: -51.970939
where:
bonds (distance) C4'-P energy: -10.957
bonds (distance) P-C4' energy: -10.863
flat angles C4'-P-C4' energy: -12.592
flat angles P-C4'-P energy: -1.893
tors. eta vs tors. theta energy: -15.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -149.937919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.937919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.937919 (E_RNA)
where:
Base-Base interactions energy: -102.223
where: short stacking energy: -30.010
Base-Backbone interact. energy: -0.256
local terms energy: -47.458479
where:
bonds (distance) C4'-P energy: -8.098
bonds (distance) P-C4' energy: -13.042
flat angles C4'-P-C4' energy: -10.206
flat angles P-C4'-P energy: -6.131
tors. eta vs tors. theta energy: -9.981
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: 6, replica: 10
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -86.531939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.531939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.531939 (E_RNA)
where:
Base-Base interactions energy: -47.702
where: short stacking energy: -20.048
Base-Backbone interact. energy: -0.271
local terms energy: -38.558721
where:
bonds (distance) C4'-P energy: -12.192
bonds (distance) P-C4' energy: -9.411
flat angles C4'-P-C4' energy: -10.674
flat angles P-C4'-P energy: -5.262
tors. eta vs tors. theta energy: -1.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -78.095597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.095597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.095597 (E_RNA)
where:
Base-Base interactions energy: -34.183
where: short stacking energy: -22.463
Base-Backbone interact. energy: -1.167
local terms energy: -42.745101
where:
bonds (distance) C4'-P energy: -9.747
bonds (distance) P-C4' energy: -11.067
flat angles C4'-P-C4' energy: -14.960
flat angles P-C4'-P energy: -3.482
tors. eta vs tors. theta energy: -3.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -69.018811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.018811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.018811 (E_RNA)
where:
Base-Base interactions energy: -22.901
where: short stacking energy: -20.052
Base-Backbone interact. energy: -0.620
local terms energy: -45.497290
where:
bonds (distance) C4'-P energy: -10.565
bonds (distance) P-C4' energy: -12.401
flat angles C4'-P-C4' energy: -9.423
flat angles P-C4'-P energy: -8.388
tors. eta vs tors. theta energy: -4.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -71.965704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.965704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.965704 (E_RNA)
where:
Base-Base interactions energy: -19.854
where: short stacking energy: -17.695
Base-Backbone interact. energy: -0.076
local terms energy: -52.035738
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -13.757
flat angles C4'-P-C4' energy: -13.444
flat angles P-C4'-P energy: -7.210
tors. eta vs tors. theta energy: -3.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -65.450645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.450645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.450645 (E_RNA)
where:
Base-Base interactions energy: -29.080
where: short stacking energy: -11.510
Base-Backbone interact. energy: -0.135
local terms energy: -36.235145
where:
bonds (distance) C4'-P energy: -10.498
bonds (distance) P-C4' energy: -14.649
flat angles C4'-P-C4' energy: -7.753
flat angles P-C4'-P energy: -2.919
tors. eta vs tors. theta energy: -0.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -183.395671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.395671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.395671 (E_RNA)
where:
Base-Base interactions energy: -119.207
where: short stacking energy: -47.370
Base-Backbone interact. energy: -0.098
local terms energy: -64.090118
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -12.309
flat angles C4'-P-C4' energy: -13.276
flat angles P-C4'-P energy: -9.256
tors. eta vs tors. theta energy: -15.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -176.765720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.765720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.765720 (E_RNA)
where:
Base-Base interactions energy: -114.628
where: short stacking energy: -47.465
Base-Backbone interact. energy: 0.444
local terms energy: -62.582151
where:
bonds (distance) C4'-P energy: -12.129
bonds (distance) P-C4' energy: -13.000
flat angles C4'-P-C4' energy: -13.276
flat angles P-C4'-P energy: -8.635
tors. eta vs tors. theta energy: -15.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -172.598615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.598615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.598615 (E_RNA)
where:
Base-Base interactions energy: -114.095
where: short stacking energy: -46.617
Base-Backbone interact. energy: -0.077
local terms energy: -58.427211
where:
bonds (distance) C4'-P energy: -11.927
bonds (distance) P-C4' energy: -10.735
flat angles C4'-P-C4' energy: -14.353
flat angles P-C4'-P energy: -5.062
tors. eta vs tors. theta energy: -16.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -144.696584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.696584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.696584 (E_RNA)
where:
Base-Base interactions energy: -93.798
where: short stacking energy: -36.068
Base-Backbone interact. energy: -0.597
local terms energy: -50.301829
where:
bonds (distance) C4'-P energy: -9.202
bonds (distance) P-C4' energy: -12.591
flat angles C4'-P-C4' energy: -7.099
flat angles P-C4'-P energy: -7.087
tors. eta vs tors. theta energy: -14.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -143.032729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.032729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.032729 (E_RNA)
where:
Base-Base interactions energy: -87.696
where: short stacking energy: -38.954
Base-Backbone interact. energy: -0.116
local terms energy: -55.221150
where:
bonds (distance) C4'-P energy: -12.075
bonds (distance) P-C4' energy: -10.156
flat angles C4'-P-C4' energy: -12.745
flat angles P-C4'-P energy: -9.868
tors. eta vs tors. theta energy: -10.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -65.926227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.926227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.926227 (E_RNA)
where:
Base-Base interactions energy: -20.724
where: short stacking energy: -13.019
Base-Backbone interact. energy: -0.004
local terms energy: -45.197834
where:
bonds (distance) C4'-P energy: -11.599
bonds (distance) P-C4' energy: -13.485
flat angles C4'-P-C4' energy: -12.608
flat angles P-C4'-P energy: -6.318
tors. eta vs tors. theta energy: -1.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -68.169711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.169711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.169711 (E_RNA)
where:
Base-Base interactions energy: -29.022
where: short stacking energy: -16.878
Base-Backbone interact. energy: -0.079
local terms energy: -39.068556
where:
bonds (distance) C4'-P energy: -10.397
bonds (distance) P-C4' energy: -7.522
flat angles C4'-P-C4' energy: -8.743
flat angles P-C4'-P energy: -8.025
tors. eta vs tors. theta energy: -4.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -99.178522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.178522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.178522 (E_RNA)
where:
Base-Base interactions energy: -51.487
where: short stacking energy: -15.968
Base-Backbone interact. energy: -1.143
local terms energy: -46.548945
where:
bonds (distance) C4'-P energy: -8.896
bonds (distance) P-C4' energy: -14.558
flat angles C4'-P-C4' energy: -9.421
flat angles P-C4'-P energy: -9.415
tors. eta vs tors. theta energy: -4.259
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: 9, replica: 5
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -58.065519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.065519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.065519 (E_RNA)
where:
Base-Base interactions energy: -15.681
where: short stacking energy: -13.643
Base-Backbone interact. energy: -0.003
local terms energy: -42.381322
where:
bonds (distance) C4'-P energy: -12.484
bonds (distance) P-C4' energy: -8.093
flat angles C4'-P-C4' energy: -11.578
flat angles P-C4'-P energy: -5.916
tors. eta vs tors. theta energy: -4.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -57.415302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.415302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.415302 (E_RNA)
where:
Base-Base interactions energy: -15.150
where: short stacking energy: -14.069
Base-Backbone interact. energy: -0.009
local terms energy: -42.255900
where:
bonds (distance) C4'-P energy: -10.033
bonds (distance) P-C4' energy: -13.106
flat angles C4'-P-C4' energy: -9.395
flat angles P-C4'-P energy: -7.149
tors. eta vs tors. theta energy: -2.573
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: 2
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -183.797931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.797931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.797931 (E_RNA)
where:
Base-Base interactions energy: -117.440
where: short stacking energy: -49.430
Base-Backbone interact. energy: -0.001
local terms energy: -66.356966
where:
bonds (distance) C4'-P energy: -14.741
bonds (distance) P-C4' energy: -13.536
flat angles C4'-P-C4' energy: -12.714
flat angles P-C4'-P energy: -9.938
tors. eta vs tors. theta energy: -15.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -174.382665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.382665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.382665 (E_RNA)
where:
Base-Base interactions energy: -115.720
where: short stacking energy: -51.124
Base-Backbone interact. energy: 0.561
local terms energy: -59.224026
where:
bonds (distance) C4'-P energy: -7.787
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -12.786
flat angles P-C4'-P energy: -9.503
tors. eta vs tors. theta energy: -14.573
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: 3
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -151.639884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.639884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.639884 (E_RNA)
where:
Base-Base interactions energy: -98.665
where: short stacking energy: -34.941
Base-Backbone interact. energy: -0.039
local terms energy: -52.936492
where:
bonds (distance) C4'-P energy: -11.810
bonds (distance) P-C4' energy: -13.981
flat angles C4'-P-C4' energy: -9.534
flat angles P-C4'-P energy: -5.560
tors. eta vs tors. theta energy: -12.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -169.522633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.522633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.522633 (E_RNA)
where:
Base-Base interactions energy: -113.729
where: short stacking energy: -45.789
Base-Backbone interact. energy: -0.015
local terms energy: -55.778906
where:
bonds (distance) C4'-P energy: -11.422
bonds (distance) P-C4' energy: -10.038
flat angles C4'-P-C4' energy: -10.931
flat angles P-C4'-P energy: -6.309
tors. eta vs tors. theta energy: -17.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -121.164295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.164295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.164295 (E_RNA)
where:
Base-Base interactions energy: -69.516
where: short stacking energy: -29.346
Base-Backbone interact. energy: -0.079
local terms energy: -51.569415
where:
bonds (distance) C4'-P energy: -12.212
bonds (distance) P-C4' energy: -9.605
flat angles C4'-P-C4' energy: -12.846
flat angles P-C4'-P energy: -7.821
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: 7
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -81.034720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.034720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.034720 (E_RNA)
where:
Base-Base interactions energy: -39.381
where: short stacking energy: -14.492
Base-Backbone interact. energy: -0.507
local terms energy: -41.146266
where:
bonds (distance) C4'-P energy: -12.986
bonds (distance) P-C4' energy: -12.101
flat angles C4'-P-C4' energy: -10.630
flat angles P-C4'-P energy: -5.997
tors. eta vs tors. theta energy: 0.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -70.092506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.092506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.092506 (E_RNA)
where:
Base-Base interactions energy: -29.751
where: short stacking energy: -13.213
Base-Backbone interact. energy: -0.110
local terms energy: -40.231129
where:
bonds (distance) C4'-P energy: -13.396
bonds (distance) P-C4' energy: -13.572
flat angles C4'-P-C4' energy: -6.032
flat angles P-C4'-P energy: -7.474
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: 8, replica: 10
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -67.238301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.238301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.238301 (E_RNA)
where:
Base-Base interactions energy: -20.262
where: short stacking energy: -20.262
Base-Backbone interact. energy: -0.032
local terms energy: -46.943563
where:
bonds (distance) C4'-P energy: -13.540
bonds (distance) P-C4' energy: -12.315
flat angles C4'-P-C4' energy: -10.793
flat angles P-C4'-P energy: -5.726
tors. eta vs tors. theta energy: -4.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -59.892659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.892659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.892659 (E_RNA)
where:
Base-Base interactions energy: -21.164
where: short stacking energy: -21.164
Base-Backbone interact. energy: 0.645
local terms energy: -39.373577
where:
bonds (distance) C4'-P energy: -13.478
bonds (distance) P-C4' energy: -12.055
flat angles C4'-P-C4' energy: -7.542
flat angles P-C4'-P energy: -3.330
tors. eta vs tors. theta energy: -2.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -55.718164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.718164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.718164 (E_RNA)
where:
Base-Base interactions energy: -17.617
where: short stacking energy: -11.155
Base-Backbone interact. energy: -0.091
local terms energy: -38.010181
where:
bonds (distance) C4'-P energy: -10.220
bonds (distance) P-C4' energy: -12.628
flat angles C4'-P-C4' energy: -12.842
flat angles P-C4'-P energy: -6.065
tors. eta vs tors. theta energy: 3.745
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: 1, replica: 2
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -185.067792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.067792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.067792 (E_RNA)
where:
Base-Base interactions energy: -121.888
where: short stacking energy: -50.308
Base-Backbone interact. energy: -0.296
local terms energy: -62.884212
where:
bonds (distance) C4'-P energy: -13.959
bonds (distance) P-C4' energy: -13.423
flat angles C4'-P-C4' energy: -12.534
flat angles P-C4'-P energy: -4.716
tors. eta vs tors. theta energy: -18.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -179.182233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.182233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.182233 (E_RNA)
where:
Base-Base interactions energy: -118.195
where: short stacking energy: -47.493
Base-Backbone interact. energy: -0.009
local terms energy: -60.978009
where:
bonds (distance) C4'-P energy: -10.767
bonds (distance) P-C4' energy: -13.520
flat angles C4'-P-C4' energy: -11.851
flat angles P-C4'-P energy: -9.406
tors. eta vs tors. theta energy: -15.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -180.914552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.914552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.914552 (E_RNA)
where:
Base-Base interactions energy: -119.653
where: short stacking energy: -42.186
Base-Backbone interact. energy: -0.025
local terms energy: -61.235899
where:
bonds (distance) C4'-P energy: -13.272
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -12.721
flat angles P-C4'-P energy: -6.205
tors. eta vs tors. theta energy: -14.882
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: 6
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -172.949424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.949424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.949424 (E_RNA)
where:
Base-Base interactions energy: -109.257
where: short stacking energy: -39.316
Base-Backbone interact. energy: -0.045
local terms energy: -63.646821
where:
bonds (distance) C4'-P energy: -12.518
bonds (distance) P-C4' energy: -13.250
flat angles C4'-P-C4' energy: -13.002
flat angles P-C4'-P energy: -8.948
tors. eta vs tors. theta energy: -15.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -175.453812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.453812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.453812 (E_RNA)
where:
Base-Base interactions energy: -114.872
where: short stacking energy: -42.840
Base-Backbone interact. energy: -0.656
local terms energy: -59.926485
where:
bonds (distance) C4'-P energy: -11.532
bonds (distance) P-C4' energy: -12.689
flat angles C4'-P-C4' energy: -9.799
flat angles P-C4'-P energy: -9.936
tors. eta vs tors. theta energy: -15.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -80.778452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.778452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.778452 (E_RNA)
where:
Base-Base interactions energy: -48.422
where: short stacking energy: -18.389
Base-Backbone interact. energy: -0.045
local terms energy: -32.311640
where:
bonds (distance) C4'-P energy: -7.857
bonds (distance) P-C4' energy: -14.096
flat angles C4'-P-C4' energy: -6.473
flat angles P-C4'-P energy: -1.849
tors. eta vs tors. theta energy: -2.036
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: 7, replica: 7
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -66.017198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.017198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.017198 (E_RNA)
where:
Base-Base interactions energy: -32.256
where: short stacking energy: -26.699
Base-Backbone interact. energy: -0.050
local terms energy: -33.710549
where:
bonds (distance) C4'-P energy: -5.352
bonds (distance) P-C4' energy: -4.054
flat angles C4'-P-C4' energy: -10.715
flat angles P-C4'-P energy: -10.052
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: 8, replica: 4
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -68.259662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.259662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.259662 (E_RNA)
where:
Base-Base interactions energy: -29.521
where: short stacking energy: -9.154
Base-Backbone interact. energy: -0.205
local terms energy: -38.533931
where:
bonds (distance) C4'-P energy: -13.488
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -10.146
flat angles P-C4'-P energy: -4.454
tors. eta vs tors. theta energy: 3.520
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: 9, replica: 10
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -67.679302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.679302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.679302 (E_RNA)
where:
Base-Base interactions energy: -29.216
where: short stacking energy: -15.690
Base-Backbone interact. energy: 2.448
local terms energy: -40.911586
where:
bonds (distance) C4'-P energy: -8.130
bonds (distance) P-C4' energy: -10.372
flat angles C4'-P-C4' energy: -10.691
flat angles P-C4'-P energy: -8.632
tors. eta vs tors. theta energy: -3.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -60.282352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.282352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.282352 (E_RNA)
where:
Base-Base interactions energy: -17.640
where: short stacking energy: -13.970
Base-Backbone interact. energy: -0.091
local terms energy: -42.551046
where:
bonds (distance) C4'-P energy: -13.155
bonds (distance) P-C4' energy: -9.435
flat angles C4'-P-C4' energy: -12.025
flat angles P-C4'-P energy: -8.427
tors. eta vs tors. theta energy: 0.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -183.882542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.882542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.882542 (E_RNA)
where:
Base-Base interactions energy: -120.175
where: short stacking energy: -43.679
Base-Backbone interact. energy: -0.067
local terms energy: -63.640440
where:
bonds (distance) C4'-P energy: -14.199
bonds (distance) P-C4' energy: -12.457
flat angles C4'-P-C4' energy: -15.391
flat angles P-C4'-P energy: -5.695
tors. eta vs tors. theta energy: -15.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -176.483339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.483339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.483339 (E_RNA)
where:
Base-Base interactions energy: -119.497
where: short stacking energy: -35.024
Base-Backbone interact. energy: -0.001
local terms energy: -56.985598
where:
bonds (distance) C4'-P energy: -10.175
bonds (distance) P-C4' energy: -12.972
flat angles C4'-P-C4' energy: -13.979
flat angles P-C4'-P energy: -8.435
tors. eta vs tors. theta energy: -11.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -180.029244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.029244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.029244 (E_RNA)
where:
Base-Base interactions energy: -117.471
where: short stacking energy: -45.191
Base-Backbone interact. energy: -0.001
local terms energy: -62.557773
where:
bonds (distance) C4'-P energy: -10.945
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -11.177
flat angles P-C4'-P energy: -9.753
tors. eta vs tors. theta energy: -16.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -172.548944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.548944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.548944 (E_RNA)
where:
Base-Base interactions energy: -112.117
where: short stacking energy: -45.453
Base-Backbone interact. energy: -0.015
local terms energy: -60.417636
where:
bonds (distance) C4'-P energy: -11.052
bonds (distance) P-C4' energy: -10.985
flat angles C4'-P-C4' energy: -13.610
flat angles P-C4'-P energy: -6.698
tors. eta vs tors. theta energy: -18.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -162.400702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.400702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.400702 (E_RNA)
where:
Base-Base interactions energy: -107.723
where: short stacking energy: -49.584
Base-Backbone interact. energy: -0.005
local terms energy: -54.672468
where:
bonds (distance) C4'-P energy: -11.500
bonds (distance) P-C4' energy: -11.249
flat angles C4'-P-C4' energy: -10.114
flat angles P-C4'-P energy: -6.291
tors. eta vs tors. theta energy: -15.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -73.766249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.766249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.766249 (E_RNA)
where:
Base-Base interactions energy: -31.350
where: short stacking energy: -19.996
Base-Backbone interact. energy: -0.100
local terms energy: -42.316613
where:
bonds (distance) C4'-P energy: -12.809
bonds (distance) P-C4' energy: -14.336
flat angles C4'-P-C4' energy: -10.181
flat angles P-C4'-P energy: -3.791
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: 7, replica: 4
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -69.708326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.708326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.708326 (E_RNA)
where:
Base-Base interactions energy: -21.229
where: short stacking energy: -21.229
Base-Backbone interact. energy: -0.195
local terms energy: -48.284283
where:
bonds (distance) C4'-P energy: -12.104
bonds (distance) P-C4' energy: -13.125
flat angles C4'-P-C4' energy: -9.643
flat angles P-C4'-P energy: -9.609
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: 8, replica: 7
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -56.556521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.556521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.556521 (E_RNA)
where:
Base-Base interactions energy: -14.147
where: short stacking energy: -10.724
Base-Backbone interact. energy: -0.288
local terms energy: -42.121800
where:
bonds (distance) C4'-P energy: -12.707
bonds (distance) P-C4' energy: -12.687
flat angles C4'-P-C4' energy: -12.392
flat angles P-C4'-P energy: -5.807
tors. eta vs tors. theta energy: 1.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -60.005613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.005613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.005613 (E_RNA)
where:
Base-Base interactions energy: -22.915
where: short stacking energy: -15.777
Base-Backbone interact. energy: -0.247
local terms energy: -36.843065
where:
bonds (distance) C4'-P energy: -8.507
bonds (distance) P-C4' energy: -11.796
flat angles C4'-P-C4' energy: -6.915
flat angles P-C4'-P energy: -9.474
tors. eta vs tors. theta energy: -0.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -53.262762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.262762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.262762 (E_RNA)
where:
Base-Base interactions energy: -11.473
where: short stacking energy: -8.362
Base-Backbone interact. energy: -0.191
local terms energy: -41.598252
where:
bonds (distance) C4'-P energy: -12.447
bonds (distance) P-C4' energy: -12.419
flat angles C4'-P-C4' energy: -10.439
flat angles P-C4'-P energy: -6.647
tors. eta vs tors. theta energy: 0.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -179.083285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.083285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.083285 (E_RNA)
where:
Base-Base interactions energy: -113.553
where: short stacking energy: -42.954
Base-Backbone interact. energy: -0.011
local terms energy: -65.519761
where:
bonds (distance) C4'-P energy: -13.127
bonds (distance) P-C4' energy: -12.193
flat angles C4'-P-C4' energy: -12.759
flat angles P-C4'-P energy: -11.394
tors. eta vs tors. theta energy: -16.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -178.357416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.357416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.357416 (E_RNA)
where:
Base-Base interactions energy: -115.094
where: short stacking energy: -39.140
Base-Backbone interact. energy: -0.045
local terms energy: -63.219266
where:
bonds (distance) C4'-P energy: -12.965
bonds (distance) P-C4' energy: -12.591
flat angles C4'-P-C4' energy: -12.799
flat angles P-C4'-P energy: -8.442
tors. eta vs tors. theta energy: -16.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -162.983529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.983529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.983529 (E_RNA)
where:
Base-Base interactions energy: -108.814
where: short stacking energy: -36.112
Base-Backbone interact. energy: -0.005
local terms energy: -54.164830
where:
bonds (distance) C4'-P energy: -10.416
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: -9.237
flat angles P-C4'-P energy: -11.264
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: 4, replica: 8
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -172.408169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.408169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.408169 (E_RNA)
where:
Base-Base interactions energy: -111.210
where: short stacking energy: -39.302
Base-Backbone interact. energy: -0.096
local terms energy: -61.101663
where:
bonds (distance) C4'-P energy: -14.261
bonds (distance) P-C4' energy: -11.656
flat angles C4'-P-C4' energy: -12.644
flat angles P-C4'-P energy: -9.735
tors. eta vs tors. theta energy: -12.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -146.592168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.592168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.592168 (E_RNA)
where:
Base-Base interactions energy: -94.845
where: short stacking energy: -37.462
Base-Backbone interact. energy: -0.069
local terms energy: -51.677293
where:
bonds (distance) C4'-P energy: -10.912
bonds (distance) P-C4' energy: -11.463
flat angles C4'-P-C4' energy: -9.147
flat angles P-C4'-P energy: -5.932
tors. eta vs tors. theta energy: -14.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -69.763034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.763034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.763034 (E_RNA)
where:
Base-Base interactions energy: -29.662
where: short stacking energy: -18.285
Base-Backbone interact. energy: -0.247
local terms energy: -39.854470
where:
bonds (distance) C4'-P energy: -8.369
bonds (distance) P-C4' energy: -11.689
flat angles C4'-P-C4' energy: -11.066
flat angles P-C4'-P energy: -7.854
tors. eta vs tors. theta energy: -0.876
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: 4
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -72.002452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.002452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.002452 (E_RNA)
where:
Base-Base interactions energy: -34.261
where: short stacking energy: -27.434
Base-Backbone interact. energy: -0.053
local terms energy: -37.687897
where:
bonds (distance) C4'-P energy: -11.678
bonds (distance) P-C4' energy: -13.022
flat angles C4'-P-C4' energy: -10.765
flat angles P-C4'-P energy: -2.426
tors. eta vs tors. theta energy: 0.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -69.650567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.650567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.650567 (E_RNA)
where:
Base-Base interactions energy: -20.986
where: short stacking energy: -17.609
Base-Backbone interact. energy: -0.012
local terms energy: -48.652176
where:
bonds (distance) C4'-P energy: -5.521
bonds (distance) P-C4' energy: -12.824
flat angles C4'-P-C4' energy: -5.454
flat angles P-C4'-P energy: -11.600
tors. eta vs tors. theta energy: -13.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -64.348046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.348046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.348046 (E_RNA)
where:
Base-Base interactions energy: -35.669
where: short stacking energy: -15.544
Base-Backbone interact. energy: -0.527
local terms energy: -28.151750
where:
bonds (distance) C4'-P energy: -6.371
bonds (distance) P-C4' energy: -9.812
flat angles C4'-P-C4' energy: -7.729
flat angles P-C4'-P energy: -1.578
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: 10, replica: 10
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -60.325488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.325488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.325488 (E_RNA)
where:
Base-Base interactions energy: -19.444
where: short stacking energy: -9.361
Base-Backbone interact. energy: 0.575
local terms energy: -41.455813
where:
bonds (distance) C4'-P energy: -9.582
bonds (distance) P-C4' energy: -12.892
flat angles C4'-P-C4' energy: -10.372
flat angles P-C4'-P energy: -4.173
tors. eta vs tors. theta energy: -4.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -180.537295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.537295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.537295 (E_RNA)
where:
Base-Base interactions energy: -115.020
where: short stacking energy: -47.195
Base-Backbone interact. energy: -0.039
local terms energy: -65.478804
where:
bonds (distance) C4'-P energy: -12.104
bonds (distance) P-C4' energy: -13.991
flat angles C4'-P-C4' energy: -13.179
flat angles P-C4'-P energy: -9.674
tors. eta vs tors. theta energy: -16.531
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: 2, replica: 6
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -177.192227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.192227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.192227 (E_RNA)
where:
Base-Base interactions energy: -116.025
where: short stacking energy: -46.625
Base-Backbone interact. energy: -0.000
local terms energy: -61.167379
where:
bonds (distance) C4'-P energy: -11.669
bonds (distance) P-C4' energy: -13.178
flat angles C4'-P-C4' energy: -13.505
flat angles P-C4'-P energy: -6.325
tors. eta vs tors. theta energy: -16.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -173.262293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.262293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.262293 (E_RNA)
where:
Base-Base interactions energy: -112.564
where: short stacking energy: -44.307
Base-Backbone interact. energy: -0.070
local terms energy: -60.628397
where:
bonds (distance) C4'-P energy: -10.750
bonds (distance) P-C4' energy: -11.420
flat angles C4'-P-C4' energy: -13.045
flat angles P-C4'-P energy: -8.566
tors. eta vs tors. theta energy: -16.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -161.393534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.393534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.393534 (E_RNA)
where:
Base-Base interactions energy: -104.024
where: short stacking energy: -43.334
Base-Backbone interact. energy: -0.043
local terms energy: -57.326368
where:
bonds (distance) C4'-P energy: -8.472
bonds (distance) P-C4' energy: -13.303
flat angles C4'-P-C4' energy: -11.590
flat angles P-C4'-P energy: -9.148
tors. eta vs tors. theta energy: -14.813
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: 408
Temperature: 1.100000
Total energy: -80.513575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.513575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.513575 (E_RNA)
where:
Base-Base interactions energy: -43.439
where: short stacking energy: -21.033
Base-Backbone interact. energy: -0.326
local terms energy: -36.748184
where:
bonds (distance) C4'-P energy: -8.593
bonds (distance) P-C4' energy: -11.681
flat angles C4'-P-C4' energy: -11.868
flat angles P-C4'-P energy: -2.362
tors. eta vs tors. theta energy: -2.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -143.177434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.177434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.177434 (E_RNA)
where:
Base-Base interactions energy: -93.026
where: short stacking energy: -40.012
Base-Backbone interact. energy: -0.102
local terms energy: -50.049543
where:
bonds (distance) C4'-P energy: -11.586
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -10.139
flat angles P-C4'-P energy: -3.923
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: 7, replica: 7
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -60.834086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.834086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.834086 (E_RNA)
where:
Base-Base interactions energy: -17.008
where: short stacking energy: -8.673
Base-Backbone interact. energy: -0.236
local terms energy: -43.590008
where:
bonds (distance) C4'-P energy: -13.376
bonds (distance) P-C4' energy: -12.829
flat angles C4'-P-C4' energy: -10.900
flat angles P-C4'-P energy: -6.049
tors. eta vs tors. theta energy: -0.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -73.562302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.562302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.562302 (E_RNA)
where:
Base-Base interactions energy: -38.610
where: short stacking energy: -12.416
Base-Backbone interact. energy: 1.597
local terms energy: -36.549093
where:
bonds (distance) C4'-P energy: -12.956
bonds (distance) P-C4' energy: -10.203
flat angles C4'-P-C4' energy: -6.601
flat angles P-C4'-P energy: -9.642
tors. eta vs tors. theta energy: 2.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -65.104513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.104513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.104513 (E_RNA)
where:
Base-Base interactions energy: -22.498
where: short stacking energy: -13.384
Base-Backbone interact. energy: 0.022
local terms energy: -42.628893
where:
bonds (distance) C4'-P energy: -10.726
bonds (distance) P-C4' energy: -12.420
flat angles C4'-P-C4' energy: -11.239
flat angles P-C4'-P energy: -7.854
tors. eta vs tors. theta energy: -0.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -63.401350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.401350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.401350 (E_RNA)
where:
Base-Base interactions energy: -13.472
where: short stacking energy: -11.751
Base-Backbone interact. energy: 0.848
local terms energy: -50.777588
where:
bonds (distance) C4'-P energy: -11.694
bonds (distance) P-C4' energy: -10.864
flat angles C4'-P-C4' energy: -12.871
flat angles P-C4'-P energy: -9.369
tors. eta vs tors. theta energy: -5.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -178.089618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.089618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.089618 (E_RNA)
where:
Base-Base interactions energy: -113.707
where: short stacking energy: -41.946
Base-Backbone interact. energy: -0.058
local terms energy: -64.324556
where:
bonds (distance) C4'-P energy: -12.587
bonds (distance) P-C4' energy: -13.146
flat angles C4'-P-C4' energy: -12.818
flat angles P-C4'-P energy: -10.025
tors. eta vs tors. theta energy: -15.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -171.118845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.118845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.118845 (E_RNA)
where:
Base-Base interactions energy: -113.828
where: short stacking energy: -43.549
Base-Backbone interact. energy: -0.004
local terms energy: -57.286906
where:
bonds (distance) C4'-P energy: -12.971
bonds (distance) P-C4' energy: -11.340
flat angles C4'-P-C4' energy: -12.399
flat angles P-C4'-P energy: -5.267
tors. eta vs tors. theta energy: -15.310
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: 6
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -171.799412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.799412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.799412 (E_RNA)
where:
Base-Base interactions energy: -112.998
where: short stacking energy: -37.034
Base-Backbone interact. energy: -0.023
local terms energy: -58.778504
where:
bonds (distance) C4'-P energy: -9.347
bonds (distance) P-C4' energy: -12.969
flat angles C4'-P-C4' energy: -13.424
flat angles P-C4'-P energy: -6.960
tors. eta vs tors. theta energy: -16.078
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: 2
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -176.352702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.352702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.352702 (E_RNA)
where:
Base-Base interactions energy: -119.488
where: short stacking energy: -39.913
Base-Backbone interact. energy: -0.762
local terms energy: -56.102461
where:
bonds (distance) C4'-P energy: -12.721
bonds (distance) P-C4' energy: -10.640
flat angles C4'-P-C4' energy: -11.230
flat angles P-C4'-P energy: -8.131
tors. eta vs tors. theta energy: -13.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -110.413544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.413544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.413544 (E_RNA)
where:
Base-Base interactions energy: -64.039
where: short stacking energy: -25.794
Base-Backbone interact. energy: -0.054
local terms energy: -46.321017
where:
bonds (distance) C4'-P energy: -11.241
bonds (distance) P-C4' energy: -14.346
flat angles C4'-P-C4' energy: -11.828
flat angles P-C4'-P energy: -1.506
tors. eta vs tors. theta energy: -7.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -138.056272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.056272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.056272 (E_RNA)
where:
Base-Base interactions energy: -84.774
where: short stacking energy: -30.900
Base-Backbone interact. energy: -0.115
local terms energy: -53.167163
where:
bonds (distance) C4'-P energy: -12.254
bonds (distance) P-C4' energy: -14.084
flat angles C4'-P-C4' energy: -11.207
flat angles P-C4'-P energy: -7.633
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: 7, replica: 7
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -64.792027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.792027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.792027 (E_RNA)
where:
Base-Base interactions energy: -22.681
where: short stacking energy: -20.729
Base-Backbone interact. energy: -0.053
local terms energy: -42.058483
where:
bonds (distance) C4'-P energy: -8.900
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -11.133
flat angles P-C4'-P energy: -4.900
tors. eta vs tors. theta energy: -2.910
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: 5
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -67.386454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.386454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.386454 (E_RNA)
where:
Base-Base interactions energy: -20.998
where: short stacking energy: -20.507
Base-Backbone interact. energy: -0.951
local terms energy: -45.437636
where:
bonds (distance) C4'-P energy: -13.529
bonds (distance) P-C4' energy: -14.029
flat angles C4'-P-C4' energy: -5.068
flat angles P-C4'-P energy: -8.301
tors. eta vs tors. theta energy: -4.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -61.411565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.411565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.411565 (E_RNA)
where:
Base-Base interactions energy: -18.305
where: short stacking energy: -18.305
Base-Backbone interact. energy: -0.010
local terms energy: -43.095919
where:
bonds (distance) C4'-P energy: -11.898
bonds (distance) P-C4' energy: -13.026
flat angles C4'-P-C4' energy: -7.229
flat angles P-C4'-P energy: -8.565
tors. eta vs tors. theta energy: -2.378
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: 10
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -55.383704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.383704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.383704 (E_RNA)
where:
Base-Base interactions energy: -13.514
where: short stacking energy: -13.514
Base-Backbone interact. energy: 0.025
local terms energy: -41.894866
where:
bonds (distance) C4'-P energy: -13.351
bonds (distance) P-C4' energy: -12.438
flat angles C4'-P-C4' energy: -8.182
flat angles P-C4'-P energy: -4.602
tors. eta vs tors. theta energy: -3.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -180.224687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.224687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.224687 (E_RNA)
where:
Base-Base interactions energy: -117.615
where: short stacking energy: -44.959
Base-Backbone interact. energy: -0.001
local terms energy: -62.609056
where:
bonds (distance) C4'-P energy: -10.813
bonds (distance) P-C4' energy: -13.131
flat angles C4'-P-C4' energy: -14.117
flat angles P-C4'-P energy: -10.762
tors. eta vs tors. theta energy: -13.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -176.247718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.247718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.247718 (E_RNA)
where:
Base-Base interactions energy: -115.837
where: short stacking energy: -45.553
Base-Backbone interact. energy: -0.058
local terms energy: -60.353206
where:
bonds (distance) C4'-P energy: -11.083
bonds (distance) P-C4' energy: -11.718
flat angles C4'-P-C4' energy: -12.136
flat angles P-C4'-P energy: -10.342
tors. eta vs tors. theta energy: -15.075
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: 2
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -174.849857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.849857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.849857 (E_RNA)
where:
Base-Base interactions energy: -118.563
where: short stacking energy: -46.099
Base-Backbone interact. energy: -0.906
local terms energy: -55.380953
where:
bonds (distance) C4'-P energy: -3.792
bonds (distance) P-C4' energy: -13.447
flat angles C4'-P-C4' energy: -12.941
flat angles P-C4'-P energy: -9.808
tors. eta vs tors. theta energy: -15.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -172.038007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.038007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.038007 (E_RNA)
where:
Base-Base interactions energy: -108.259
where: short stacking energy: -46.311
Base-Backbone interact. energy: -0.045
local terms energy: -63.733642
where:
bonds (distance) C4'-P energy: -11.351
bonds (distance) P-C4' energy: -13.445
flat angles C4'-P-C4' energy: -13.301
flat angles P-C4'-P energy: -8.768
tors. eta vs tors. theta energy: -16.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -125.727338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.727338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.727338 (E_RNA)
where:
Base-Base interactions energy: -84.705
where: short stacking energy: -28.423
Base-Backbone interact. energy: -0.045
local terms energy: -40.977485
where:
bonds (distance) C4'-P energy: -11.148
bonds (distance) P-C4' energy: -9.756
flat angles C4'-P-C4' energy: -8.991
flat angles P-C4'-P energy: -6.305
tors. eta vs tors. theta energy: -4.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -68.517130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.517130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.517130 (E_RNA)
where:
Base-Base interactions energy: -22.146
where: short stacking energy: -17.251
Base-Backbone interact. energy: -0.212
local terms energy: -46.159012
where:
bonds (distance) C4'-P energy: -9.881
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -8.713
flat angles P-C4'-P energy: -10.289
tors. eta vs tors. theta energy: -3.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -78.194444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.194444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.194444 (E_RNA)
where:
Base-Base interactions energy: -25.154
where: short stacking energy: -20.916
Base-Backbone interact. energy: -0.016
local terms energy: -53.024839
where:
bonds (distance) C4'-P energy: -12.627
bonds (distance) P-C4' energy: -13.095
flat angles C4'-P-C4' energy: -10.678
flat angles P-C4'-P energy: -6.561
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: 8, replica: 7
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -62.969645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.969645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.969645 (E_RNA)
where:
Base-Base interactions energy: -22.891
where: short stacking energy: -18.081
Base-Backbone interact. energy: -0.090
local terms energy: -39.988819
where:
bonds (distance) C4'-P energy: -10.382
bonds (distance) P-C4' energy: -10.481
flat angles C4'-P-C4' energy: -11.919
flat angles P-C4'-P energy: -2.213
tors. eta vs tors. theta energy: -4.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -65.497642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.497642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.497642 (E_RNA)
where:
Base-Base interactions energy: -29.348
where: short stacking energy: -15.582
Base-Backbone interact. energy: -0.155
local terms energy: -35.994175
where:
bonds (distance) C4'-P energy: -7.367
bonds (distance) P-C4' energy: -5.655
flat angles C4'-P-C4' energy: -10.857
flat angles P-C4'-P energy: -7.381
tors. eta vs tors. theta energy: -4.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -66.370658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.370658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.370658 (E_RNA)
where:
Base-Base interactions energy: -29.547
where: short stacking energy: -4.978
Base-Backbone interact. energy: -0.002
local terms energy: -36.820963
where:
bonds (distance) C4'-P energy: -10.912
bonds (distance) P-C4' energy: -10.014
flat angles C4'-P-C4' energy: -11.300
flat angles P-C4'-P energy: -1.039
tors. eta vs tors. theta energy: -3.558
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: 8
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -178.804537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.804537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.804537 (E_RNA)
where:
Base-Base interactions energy: -112.160
where: short stacking energy: -39.062
Base-Backbone interact. energy: -0.002
local terms energy: -66.642523
where:
bonds (distance) C4'-P energy: -12.555
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -14.003
flat angles P-C4'-P energy: -8.124
tors. eta vs tors. theta energy: -18.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -177.131204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.131204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.131204 (E_RNA)
where:
Base-Base interactions energy: -113.443
where: short stacking energy: -42.293
Base-Backbone interact. energy: -0.001
local terms energy: -63.687686
where:
bonds (distance) C4'-P energy: -13.155
bonds (distance) P-C4' energy: -12.576
flat angles C4'-P-C4' energy: -11.404
flat angles P-C4'-P energy: -10.440
tors. eta vs tors. theta energy: -16.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -172.651078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.651078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.651078 (E_RNA)
where:
Base-Base interactions energy: -112.078
where: short stacking energy: -41.681
Base-Backbone interact. energy: -0.083
local terms energy: -60.489919
where:
bonds (distance) C4'-P energy: -12.803
bonds (distance) P-C4' energy: -11.126
flat angles C4'-P-C4' energy: -13.570
flat angles P-C4'-P energy: -7.177
tors. eta vs tors. theta energy: -15.814
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: 6
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -164.337136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.337136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.337136 (E_RNA)
where:
Base-Base interactions energy: -109.375
where: short stacking energy: -49.465
Base-Backbone interact. energy: -0.004
local terms energy: -54.957755
where:
bonds (distance) C4'-P energy: -9.863
bonds (distance) P-C4' energy: -12.809
flat angles C4'-P-C4' energy: -10.641
flat angles P-C4'-P energy: -8.674
tors. eta vs tors. theta energy: -12.971
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: 3
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -129.351974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.351974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.351974 (E_RNA)
where:
Base-Base interactions energy: -73.588
where: short stacking energy: -29.622
Base-Backbone interact. energy: 0.256
local terms energy: -56.020082
where:
bonds (distance) C4'-P energy: -12.998
bonds (distance) P-C4' energy: -15.323
flat angles C4'-P-C4' energy: -13.120
flat angles P-C4'-P energy: -6.512
tors. eta vs tors. theta energy: -8.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -71.791187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.791187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.791187 (E_RNA)
where:
Base-Base interactions energy: -15.834
where: short stacking energy: -16.712
Base-Backbone interact. energy: -0.192
local terms energy: -55.764771
where:
bonds (distance) C4'-P energy: -14.385
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -12.547
flat angles P-C4'-P energy: -8.697
tors. eta vs tors. theta energy: -5.239
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: 9
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -62.354421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.354421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.354421 (E_RNA)
where:
Base-Base interactions energy: -24.866
where: short stacking energy: -16.494
Base-Backbone interact. energy: -0.552
local terms energy: -36.936526
where:
bonds (distance) C4'-P energy: -11.011
bonds (distance) P-C4' energy: -8.787
flat angles C4'-P-C4' energy: -10.370
flat angles P-C4'-P energy: -7.834
tors. eta vs tors. theta energy: 1.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -76.405730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.405730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.405730 (E_RNA)
where:
Base-Base interactions energy: -32.511
where: short stacking energy: -14.554
Base-Backbone interact. energy: -0.169
local terms energy: -43.725400
where:
bonds (distance) C4'-P energy: -11.281
bonds (distance) P-C4' energy: -13.301
flat angles C4'-P-C4' energy: -10.380
flat angles P-C4'-P energy: -6.054
tors. eta vs tors. theta energy: -2.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -62.250334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.250334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.250334 (E_RNA)
where:
Base-Base interactions energy: -20.570
where: short stacking energy: -10.821
Base-Backbone interact. energy: -0.031
local terms energy: -41.648496
where:
bonds (distance) C4'-P energy: -11.458
bonds (distance) P-C4' energy: -12.746
flat angles C4'-P-C4' energy: -8.073
flat angles P-C4'-P energy: -7.344
tors. eta vs tors. theta energy: -2.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -55.649270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.649270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.649270 (E_RNA)
where:
Base-Base interactions energy: -19.235
where: short stacking energy: -5.552
Base-Backbone interact. energy: -0.330
local terms energy: -36.085015
where:
bonds (distance) C4'-P energy: -8.821
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -9.369
flat angles P-C4'-P energy: -7.527
tors. eta vs tors. theta energy: 4.502
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: 8
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -182.369847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.369847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.369847 (E_RNA)
where:
Base-Base interactions energy: -119.972
where: short stacking energy: -46.626
Base-Backbone interact. energy: -0.704
local terms energy: -61.693730
where:
bonds (distance) C4'-P energy: -12.235
bonds (distance) P-C4' energy: -11.824
flat angles C4'-P-C4' energy: -13.362
flat angles P-C4'-P energy: -5.911
tors. eta vs tors. theta energy: -18.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -177.752915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.752915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.752915 (E_RNA)
where:
Base-Base interactions energy: -120.086
where: short stacking energy: -38.440
Base-Backbone interact. energy: -0.314
local terms energy: -57.352810
where:
bonds (distance) C4'-P energy: -8.767
bonds (distance) P-C4' energy: -13.825
flat angles C4'-P-C4' energy: -12.955
flat angles P-C4'-P energy: -9.311
tors. eta vs tors. theta energy: -12.494
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: 6
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -171.414525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.414525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.414525 (E_RNA)
where:
Base-Base interactions energy: -112.704
where: short stacking energy: -42.905
Base-Backbone interact. energy: -0.149
local terms energy: -58.560776
where:
bonds (distance) C4'-P energy: -10.974
bonds (distance) P-C4' energy: -13.021
flat angles C4'-P-C4' energy: -13.441
flat angles P-C4'-P energy: -8.519
tors. eta vs tors. theta energy: -12.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -166.919932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.919932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.919932 (E_RNA)
where:
Base-Base interactions energy: -107.677
where: short stacking energy: -41.607
Base-Backbone interact. energy: -0.121
local terms energy: -59.121691
where:
bonds (distance) C4'-P energy: -11.554
bonds (distance) P-C4' energy: -12.989
flat angles C4'-P-C4' energy: -13.548
flat angles P-C4'-P energy: -6.825
tors. eta vs tors. theta energy: -14.206
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: 3
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -121.795551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.795551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.795551 (E_RNA)
where:
Base-Base interactions energy: -71.145
where: short stacking energy: -32.767
Base-Backbone interact. energy: 1.382
local terms energy: -52.032814
where:
bonds (distance) C4'-P energy: -14.323
bonds (distance) P-C4' energy: -9.740
flat angles C4'-P-C4' energy: -7.502
flat angles P-C4'-P energy: -9.609
tors. eta vs tors. theta energy: -10.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -70.069589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.069589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.069589 (E_RNA)
where:
Base-Base interactions energy: -23.350
where: short stacking energy: -23.350
Base-Backbone interact. energy: -0.142
local terms energy: -46.577518
where:
bonds (distance) C4'-P energy: -11.338
bonds (distance) P-C4' energy: -12.226
flat angles C4'-P-C4' energy: -9.360
flat angles P-C4'-P energy: -8.165
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: 7, replica: 7
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -64.408794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.408794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.408794 (E_RNA)
where:
Base-Base interactions energy: -16.674
where: short stacking energy: -11.384
Base-Backbone interact. energy: -1.063
local terms energy: -46.672406
where:
bonds (distance) C4'-P energy: -12.803
bonds (distance) P-C4' energy: -10.757
flat angles C4'-P-C4' energy: -12.138
flat angles P-C4'-P energy: -5.448
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: 8, replica: 9
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -64.217303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.217303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.217303 (E_RNA)
where:
Base-Base interactions energy: -20.667
where: short stacking energy: -20.030
Base-Backbone interact. energy: -0.096
local terms energy: -43.454220
where:
bonds (distance) C4'-P energy: -10.895
bonds (distance) P-C4' energy: -10.938
flat angles C4'-P-C4' energy: -11.405
flat angles P-C4'-P energy: -5.508
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: 9, replica: 10
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -74.417733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.417733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.417733 (E_RNA)
where:
Base-Base interactions energy: -29.933
where: short stacking energy: -18.120
Base-Backbone interact. energy: -0.151
local terms energy: -44.333480
where:
bonds (distance) C4'-P energy: -11.441
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -10.814
flat angles P-C4'-P energy: -5.187
tors. eta vs tors. theta energy: -2.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -63.237387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.237387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.237387 (E_RNA)
where:
Base-Base interactions energy: -24.012
where: short stacking energy: -19.013
Base-Backbone interact. energy: -0.116
local terms energy: -39.109148
where:
bonds (distance) C4'-P energy: -11.934
bonds (distance) P-C4' energy: -8.936
flat angles C4'-P-C4' energy: -5.018
flat angles P-C4'-P energy: -9.831
tors. eta vs tors. theta energy: -3.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -176.876073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.876073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.876073 (E_RNA)
where:
Base-Base interactions energy: -115.880
where: short stacking energy: -46.832
Base-Backbone interact. energy: -0.009
local terms energy: -60.986659
where:
bonds (distance) C4'-P energy: -11.280
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -14.839
flat angles P-C4'-P energy: -5.155
tors. eta vs tors. theta energy: -16.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -178.467664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.467664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.467664 (E_RNA)
where:
Base-Base interactions energy: -117.933
where: short stacking energy: -44.484
Base-Backbone interact. energy: -0.002
local terms energy: -60.532435
where:
bonds (distance) C4'-P energy: -12.390
bonds (distance) P-C4' energy: -13.312
flat angles C4'-P-C4' energy: -9.687
flat angles P-C4'-P energy: -9.097
tors. eta vs tors. theta energy: -16.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -173.022565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.022565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.022565 (E_RNA)
where:
Base-Base interactions energy: -113.205
where: short stacking energy: -41.196
Base-Backbone interact. energy: -0.101
local terms energy: -59.716380
where:
bonds (distance) C4'-P energy: -10.647
bonds (distance) P-C4' energy: -11.690
flat angles C4'-P-C4' energy: -13.309
flat angles P-C4'-P energy: -8.904
tors. eta vs tors. theta energy: -15.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -168.813795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.813795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.813795 (E_RNA)
where:
Base-Base interactions energy: -115.345
where: short stacking energy: -37.079
Base-Backbone interact. energy: -0.085
local terms energy: -53.384068
where:
bonds (distance) C4'-P energy: -12.749
bonds (distance) P-C4' energy: -13.905
flat angles C4'-P-C4' energy: -11.924
flat angles P-C4'-P energy: -4.264
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: 3
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -139.762372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.762372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.762372 (E_RNA)
where:
Base-Base interactions energy: -89.988
where: short stacking energy: -35.805
Base-Backbone interact. energy: -0.197
local terms energy: -49.577991
where:
bonds (distance) C4'-P energy: -7.679
bonds (distance) P-C4' energy: -11.081
flat angles C4'-P-C4' energy: -13.303
flat angles P-C4'-P energy: -4.666
tors. eta vs tors. theta energy: -12.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -72.238448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.238448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.238448 (E_RNA)
where:
Base-Base interactions energy: -25.415
where: short stacking energy: -25.415
Base-Backbone interact. energy: -0.016
local terms energy: -46.807346
where:
bonds (distance) C4'-P energy: -12.154
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -9.195
flat angles P-C4'-P energy: -6.712
tors. eta vs tors. theta energy: -5.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -68.165043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.165043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.165043 (E_RNA)
where:
Base-Base interactions energy: -27.605
where: short stacking energy: -20.179
Base-Backbone interact. energy: -0.439
local terms energy: -40.121900
where:
bonds (distance) C4'-P energy: -6.596
bonds (distance) P-C4' energy: -13.607
flat angles C4'-P-C4' energy: -10.645
flat angles P-C4'-P energy: -6.542
tors. eta vs tors. theta energy: -2.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -68.801893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.801893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.801893 (E_RNA)
where:
Base-Base interactions energy: -29.000
where: short stacking energy: -14.292
Base-Backbone interact. energy: 0.143
local terms energy: -39.944732
where:
bonds (distance) C4'-P energy: -11.628
bonds (distance) P-C4' energy: -13.582
flat angles C4'-P-C4' energy: -10.114
flat angles P-C4'-P energy: -5.504
tors. eta vs tors. theta energy: 0.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -60.530324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.530324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.530324 (E_RNA)
where:
Base-Base interactions energy: -14.775
where: short stacking energy: -14.775
Base-Backbone interact. energy: -0.049
local terms energy: -45.706257
where:
bonds (distance) C4'-P energy: -10.585
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -14.456
flat angles P-C4'-P energy: -4.391
tors. eta vs tors. theta energy: -1.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -59.087540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.087540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.087540 (E_RNA)
where:
Base-Base interactions energy: -20.365
where: short stacking energy: -7.229
Base-Backbone interact. energy: -0.064
local terms energy: -38.658627
where:
bonds (distance) C4'-P energy: -10.949
bonds (distance) P-C4' energy: -12.715
flat angles C4'-P-C4' energy: -10.983
flat angles P-C4'-P energy: -5.286
tors. eta vs tors. theta energy: 1.274
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: 2
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -177.778786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.778786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.778786 (E_RNA)
where:
Base-Base interactions energy: -120.919
where: short stacking energy: -41.300
Base-Backbone interact. energy: -0.354
local terms energy: -56.506095
where:
bonds (distance) C4'-P energy: -12.316
bonds (distance) P-C4' energy: -11.931
flat angles C4'-P-C4' energy: -9.666
flat angles P-C4'-P energy: -8.090
tors. eta vs tors. theta energy: -14.504
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: 8
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -176.470251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.470251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.470251 (E_RNA)
where:
Base-Base interactions energy: -116.991
where: short stacking energy: -47.410
Base-Backbone interact. energy: -0.024
local terms energy: -59.455583
where:
bonds (distance) C4'-P energy: -9.864
bonds (distance) P-C4' energy: -12.585
flat angles C4'-P-C4' energy: -10.921
flat angles P-C4'-P energy: -10.353
tors. eta vs tors. theta energy: -15.733
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: 1
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -170.780620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.780620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.780620 (E_RNA)
where:
Base-Base interactions energy: -115.974
where: short stacking energy: -50.333
Base-Backbone interact. energy: -0.004
local terms energy: -54.802801
where:
bonds (distance) C4'-P energy: -10.912
bonds (distance) P-C4' energy: -6.742
flat angles C4'-P-C4' energy: -11.996
flat angles P-C4'-P energy: -10.580
tors. eta vs tors. theta energy: -14.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -171.191036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.191036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.191036 (E_RNA)
where:
Base-Base interactions energy: -114.250
where: short stacking energy: -38.795
Base-Backbone interact. energy: -0.096
local terms energy: -56.845041
where:
bonds (distance) C4'-P energy: -11.765
bonds (distance) P-C4' energy: -11.537
flat angles C4'-P-C4' energy: -10.281
flat angles P-C4'-P energy: -8.590
tors. eta vs tors. theta energy: -14.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -137.678651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.678651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.678651 (E_RNA)
where:
Base-Base interactions energy: -86.099
where: short stacking energy: -36.878
Base-Backbone interact. energy: -1.057
local terms energy: -50.522942
where:
bonds (distance) C4'-P energy: -9.703
bonds (distance) P-C4' energy: -12.527
flat angles C4'-P-C4' energy: -13.072
flat angles P-C4'-P energy: -7.949
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: 5
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -72.169817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.169817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.169817 (E_RNA)
where:
Base-Base interactions energy: -24.363
where: short stacking energy: -14.116
Base-Backbone interact. energy: -0.292
local terms energy: -47.515186
where:
bonds (distance) C4'-P energy: -11.992
bonds (distance) P-C4' energy: -11.905
flat angles C4'-P-C4' energy: -9.629
flat angles P-C4'-P energy: -11.198
tors. eta vs tors. theta energy: -2.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -62.064700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.064700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.064700 (E_RNA)
where:
Base-Base interactions energy: -14.488
where: short stacking energy: -13.312
Base-Backbone interact. energy: -0.011
local terms energy: -47.565846
where:
bonds (distance) C4'-P energy: -8.647
bonds (distance) P-C4' energy: -11.898
flat angles C4'-P-C4' energy: -12.771
flat angles P-C4'-P energy: -9.843
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: 8, replica: 7
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -76.175135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.175135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.175135 (E_RNA)
where:
Base-Base interactions energy: -36.122
where: short stacking energy: -11.516
Base-Backbone interact. energy: -0.958
local terms energy: -39.094734
where:
bonds (distance) C4'-P energy: -11.530
bonds (distance) P-C4' energy: -12.018
flat angles C4'-P-C4' energy: -10.362
flat angles P-C4'-P energy: -6.233
tors. eta vs tors. theta energy: 1.048
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: 9, replica: 4
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -59.579979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.579979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.579979 (E_RNA)
where:
Base-Base interactions energy: -16.642
where: short stacking energy: -9.930
Base-Backbone interact. energy: 0.355
local terms energy: -43.292728
where:
bonds (distance) C4'-P energy: -10.179
bonds (distance) P-C4' energy: -12.656
flat angles C4'-P-C4' energy: -8.376
flat angles P-C4'-P energy: -10.407
tors. eta vs tors. theta energy: -1.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -57.840755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.840755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.840755 (E_RNA)
where:
Base-Base interactions energy: -22.113
where: short stacking energy: -9.525
Base-Backbone interact. energy: -0.543
local terms energy: -35.184875
where:
bonds (distance) C4'-P energy: -8.427
bonds (distance) P-C4' energy: -14.389
flat angles C4'-P-C4' energy: -12.039
flat angles P-C4'-P energy: -3.799
tors. eta vs tors. theta energy: 3.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -179.299333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.299333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.299333 (E_RNA)
where:
Base-Base interactions energy: -116.738
where: short stacking energy: -48.436
Base-Backbone interact. energy: -0.009
local terms energy: -62.551839
where:
bonds (distance) C4'-P energy: -10.144
bonds (distance) P-C4' energy: -12.647
flat angles C4'-P-C4' energy: -13.317
flat angles P-C4'-P energy: -11.331
tors. eta vs tors. theta energy: -15.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -176.872125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.872125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.872125 (E_RNA)
where:
Base-Base interactions energy: -114.348
where: short stacking energy: -48.664
Base-Backbone interact. energy: -0.007
local terms energy: -62.517299
where:
bonds (distance) C4'-P energy: -9.968
bonds (distance) P-C4' energy: -11.806
flat angles C4'-P-C4' energy: -14.256
flat angles P-C4'-P energy: -9.751
tors. eta vs tors. theta energy: -16.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -174.684357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.684357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.684357 (E_RNA)
where:
Base-Base interactions energy: -111.574
where: short stacking energy: -37.184
Base-Backbone interact. energy: -0.645
local terms energy: -62.465952
where:
bonds (distance) C4'-P energy: -8.408
bonds (distance) P-C4' energy: -11.830
flat angles C4'-P-C4' energy: -13.700
flat angles P-C4'-P energy: -11.055
tors. eta vs tors. theta energy: -17.473
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: 6
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -173.409459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.409459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.409459 (E_RNA)
where:
Base-Base interactions energy: -108.640
where: short stacking energy: -41.202
Base-Backbone interact. energy: -0.411
local terms energy: -64.358107
where:
bonds (distance) C4'-P energy: -10.849
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -12.210
flat angles P-C4'-P energy: -11.073
tors. eta vs tors. theta energy: -15.386
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: 5, replica: 3
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -124.783326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.783326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.783326 (E_RNA)
where:
Base-Base interactions energy: -80.616
where: short stacking energy: -30.496
Base-Backbone interact. energy: -0.184
local terms energy: -43.982837
where:
bonds (distance) C4'-P energy: -9.870
bonds (distance) P-C4' energy: -8.094
flat angles C4'-P-C4' energy: -11.893
flat angles P-C4'-P energy: -5.230
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: 6, replica: 10
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -75.129077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.129077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.129077 (E_RNA)
where:
Base-Base interactions energy: -30.844
where: short stacking energy: -24.099
Base-Backbone interact. energy: -0.062
local terms energy: -44.223179
where:
bonds (distance) C4'-P energy: -10.063
bonds (distance) P-C4' energy: -11.778
flat angles C4'-P-C4' energy: -10.897
flat angles P-C4'-P energy: -1.803
tors. eta vs tors. theta energy: -9.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -84.140287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.140287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.140287 (E_RNA)
where:
Base-Base interactions energy: -42.935
where: short stacking energy: -24.071
Base-Backbone interact. energy: -0.125
local terms energy: -41.080141
where:
bonds (distance) C4'-P energy: -11.409
bonds (distance) P-C4' energy: -12.336
flat angles C4'-P-C4' energy: -12.632
flat angles P-C4'-P energy: -0.478
tors. eta vs tors. theta energy: -4.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -64.830581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.830581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.830581 (E_RNA)
where:
Base-Base interactions energy: -18.189
where: short stacking energy: -11.617
Base-Backbone interact. energy: -0.092
local terms energy: -46.549668
where:
bonds (distance) C4'-P energy: -12.904
bonds (distance) P-C4' energy: -13.219
flat angles C4'-P-C4' energy: -9.756
flat angles P-C4'-P energy: -9.209
tors. eta vs tors. theta energy: -1.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -124.411679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.411679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.411679 (E_RNA)
where:
Base-Base interactions energy: -74.819
where: short stacking energy: -28.293
Base-Backbone interact. energy: 0.286
local terms energy: -49.878204
where:
bonds (distance) C4'-P energy: -11.131
bonds (distance) P-C4' energy: -10.527
flat angles C4'-P-C4' energy: -12.003
flat angles P-C4'-P energy: -7.045
tors. eta vs tors. theta energy: -9.172
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: 9
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -81.184633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.184633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.184633 (E_RNA)
where:
Base-Base interactions energy: -45.318
where: short stacking energy: -16.855
Base-Backbone interact. energy: 5.880
local terms energy: -41.746065
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -11.262
flat angles C4'-P-C4' energy: -9.111
flat angles P-C4'-P energy: -2.426
tors. eta vs tors. theta energy: -5.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -175.075682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.075682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.075682 (E_RNA)
where:
Base-Base interactions energy: -118.244
where: short stacking energy: -48.930
Base-Backbone interact. energy: -0.414
local terms energy: -56.418402
where:
bonds (distance) C4'-P energy: -12.066
bonds (distance) P-C4' energy: -12.983
flat angles C4'-P-C4' energy: -10.376
flat angles P-C4'-P energy: -8.977
tors. eta vs tors. theta energy: -12.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -178.817727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.817727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.817727 (E_RNA)
where:
Base-Base interactions energy: -111.121
where: short stacking energy: -44.942
Base-Backbone interact. energy: -0.006
local terms energy: -67.690571
where:
bonds (distance) C4'-P energy: -12.568
bonds (distance) P-C4' energy: -12.017
flat angles C4'-P-C4' energy: -12.730
flat angles P-C4'-P energy: -12.309
tors. eta vs tors. theta energy: -18.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -179.898688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.898688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.898688 (E_RNA)
where:
Base-Base interactions energy: -122.335
where: short stacking energy: -48.267
Base-Backbone interact. energy: -0.085
local terms energy: -57.478473
where:
bonds (distance) C4'-P energy: -10.309
bonds (distance) P-C4' energy: -9.488
flat angles C4'-P-C4' energy: -12.962
flat angles P-C4'-P energy: -7.175
tors. eta vs tors. theta energy: -17.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -175.065721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.065721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.065721 (E_RNA)
where:
Base-Base interactions energy: -112.156
where: short stacking energy: -53.901
Base-Backbone interact. energy: 0.269
local terms energy: -63.179069
where:
bonds (distance) C4'-P energy: -9.832
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -13.297
flat angles P-C4'-P energy: -7.385
tors. eta vs tors. theta energy: -17.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -136.580328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.580328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.580328 (E_RNA)
where:
Base-Base interactions energy: -87.694
where: short stacking energy: -36.785
Base-Backbone interact. energy: -0.132
local terms energy: -48.754186
where:
bonds (distance) C4'-P energy: -13.620
bonds (distance) P-C4' energy: -8.889
flat angles C4'-P-C4' energy: -12.718
flat angles P-C4'-P energy: -6.621
tors. eta vs tors. theta energy: -6.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -66.717186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.717186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.717186 (E_RNA)
where:
Base-Base interactions energy: -22.478
where: short stacking energy: -22.478
Base-Backbone interact. energy: -0.258
local terms energy: -43.981633
where:
bonds (distance) C4'-P energy: -7.503
bonds (distance) P-C4' energy: -12.016
flat angles C4'-P-C4' energy: -10.156
flat angles P-C4'-P energy: -9.657
tors. eta vs tors. theta energy: -4.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -64.743666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.743666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.743666 (E_RNA)
where:
Base-Base interactions energy: -20.296
where: short stacking energy: -13.502
Base-Backbone interact. energy: -0.116
local terms energy: -44.331715
where:
bonds (distance) C4'-P energy: -12.696
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -10.277
flat angles P-C4'-P energy: -7.625
tors. eta vs tors. theta energy: -0.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -70.188777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.188777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.188777 (E_RNA)
where:
Base-Base interactions energy: -30.003
where: short stacking energy: -13.564
Base-Backbone interact. energy: -0.265
local terms energy: -39.920730
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -12.454
flat angles C4'-P-C4' energy: -8.902
flat angles P-C4'-P energy: -4.348
tors. eta vs tors. theta energy: -1.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -55.738704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.738704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.738704 (E_RNA)
where:
Base-Base interactions energy: -20.021
where: short stacking energy: -20.021
Base-Backbone interact. energy: -0.107
local terms energy: -35.610070
where:
bonds (distance) C4'-P energy: -8.143
bonds (distance) P-C4' energy: -11.810
flat angles C4'-P-C4' energy: -7.256
flat angles P-C4'-P energy: -2.055
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: 10, replica: 4
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -57.427129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.427129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.427129 (E_RNA)
where:
Base-Base interactions energy: -18.121
where: short stacking energy: -9.972
Base-Backbone interact. energy: -0.063
local terms energy: -39.243095
where:
bonds (distance) C4'-P energy: -12.873
bonds (distance) P-C4' energy: -9.834
flat angles C4'-P-C4' energy: -11.630
flat angles P-C4'-P energy: -5.267
tors. eta vs tors. theta energy: 0.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -176.876509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.876509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.876509 (E_RNA)
where:
Base-Base interactions energy: -122.351
where: short stacking energy: -46.542
Base-Backbone interact. energy: 0.137
local terms energy: -54.662669
where:
bonds (distance) C4'-P energy: -8.520
bonds (distance) P-C4' energy: -11.905
flat angles C4'-P-C4' energy: -12.093
flat angles P-C4'-P energy: -8.930
tors. eta vs tors. theta energy: -13.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -179.803433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.803433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.803433 (E_RNA)
where:
Base-Base interactions energy: -120.192
where: short stacking energy: -45.780
Base-Backbone interact. energy: -0.004
local terms energy: -59.606683
where:
bonds (distance) C4'-P energy: -13.672
bonds (distance) P-C4' energy: -12.034
flat angles C4'-P-C4' energy: -11.257
flat angles P-C4'-P energy: -7.826
tors. eta vs tors. theta energy: -14.817
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: 2
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -176.781891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.781891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.781891 (E_RNA)
where:
Base-Base interactions energy: -115.120
where: short stacking energy: -45.803
Base-Backbone interact. energy: -0.103
local terms energy: -61.559377
where:
bonds (distance) C4'-P energy: -10.780
bonds (distance) P-C4' energy: -11.922
flat angles C4'-P-C4' energy: -13.110
flat angles P-C4'-P energy: -10.219
tors. eta vs tors. theta energy: -15.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -166.167264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.167264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.167264 (E_RNA)
where:
Base-Base interactions energy: -109.482
where: short stacking energy: -40.793
Base-Backbone interact. energy: -0.094
local terms energy: -56.590784
where:
bonds (distance) C4'-P energy: -12.248
bonds (distance) P-C4' energy: -11.480
flat angles C4'-P-C4' energy: -12.111
flat angles P-C4'-P energy: -8.094
tors. eta vs tors. theta energy: -12.659
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: 3
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -131.833303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.833303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.833303 (E_RNA)
where:
Base-Base interactions energy: -78.112
where: short stacking energy: -38.137
Base-Backbone interact. energy: -0.611
local terms energy: -53.110406
where:
bonds (distance) C4'-P energy: -13.070
bonds (distance) P-C4' energy: -8.207
flat angles C4'-P-C4' energy: -10.641
flat angles P-C4'-P energy: -8.614
tors. eta vs tors. theta energy: -12.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -75.135444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.135444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.135444 (E_RNA)
where:
Base-Base interactions energy: -37.898
where: short stacking energy: -18.117
Base-Backbone interact. energy: -0.447
local terms energy: -36.791162
where:
bonds (distance) C4'-P energy: -7.976
bonds (distance) P-C4' energy: -10.669
flat angles C4'-P-C4' energy: -10.718
flat angles P-C4'-P energy: -3.071
tors. eta vs tors. theta energy: -4.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -69.625800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.625800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.625800 (E_RNA)
where:
Base-Base interactions energy: -21.816
where: short stacking energy: -21.816
Base-Backbone interact. energy: -0.092
local terms energy: -47.717089
where:
bonds (distance) C4'-P energy: -12.067
bonds (distance) P-C4' energy: -11.523
flat angles C4'-P-C4' energy: -8.818
flat angles P-C4'-P energy: -7.826
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: 8, replica: 9
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -75.022719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.022719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.022719 (E_RNA)
where:
Base-Base interactions energy: -30.981
where: short stacking energy: -17.757
Base-Backbone interact. energy: -0.431
local terms energy: -43.610731
where:
bonds (distance) C4'-P energy: -13.214
bonds (distance) P-C4' energy: -10.905
flat angles C4'-P-C4' energy: -7.946
flat angles P-C4'-P energy: -4.911
tors. eta vs tors. theta energy: -6.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -70.876427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.876427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.876427 (E_RNA)
where:
Base-Base interactions energy: -25.161
where: short stacking energy: -20.096
Base-Backbone interact. energy: -0.211
local terms energy: -45.504208
where:
bonds (distance) C4'-P energy: -8.817
bonds (distance) P-C4' energy: -15.051
flat angles C4'-P-C4' energy: -9.521
flat angles P-C4'-P energy: -7.513
tors. eta vs tors. theta energy: -4.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -54.222032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.222032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.222032 (E_RNA)
where:
Base-Base interactions energy: -16.658
where: short stacking energy: -16.658
Base-Backbone interact. energy: -0.246
local terms energy: -37.318186
where:
bonds (distance) C4'-P energy: -11.702
bonds (distance) P-C4' energy: -8.573
flat angles C4'-P-C4' energy: -11.521
flat angles P-C4'-P energy: -4.487
tors. eta vs tors. theta energy: -1.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -183.228985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.228985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.228985 (E_RNA)
where:
Base-Base interactions energy: -115.739
where: short stacking energy: -48.025
Base-Backbone interact. energy: -0.028
local terms energy: -67.462184
where:
bonds (distance) C4'-P energy: -13.726
bonds (distance) P-C4' energy: -12.170
flat angles C4'-P-C4' energy: -12.685
flat angles P-C4'-P energy: -10.988
tors. eta vs tors. theta energy: -17.893
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: 1
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -176.023330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.023330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.023330 (E_RNA)
where:
Base-Base interactions energy: -116.472
where: short stacking energy: -48.907
Base-Backbone interact. energy: -0.240
local terms energy: -59.311705
where:
bonds (distance) C4'-P energy: -11.979
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -11.984
flat angles P-C4'-P energy: -6.579
tors. eta vs tors. theta energy: -14.124
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: 6
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -178.682490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.682490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.682490 (E_RNA)
where:
Base-Base interactions energy: -111.614
where: short stacking energy: -49.631
Base-Backbone interact. energy: -0.030
local terms energy: -67.038761
where:
bonds (distance) C4'-P energy: -12.820
bonds (distance) P-C4' energy: -12.511
flat angles C4'-P-C4' energy: -14.470
flat angles P-C4'-P energy: -9.969
tors. eta vs tors. theta energy: -17.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -173.883369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.883369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.883369 (E_RNA)
where:
Base-Base interactions energy: -111.930
where: short stacking energy: -42.728
Base-Backbone interact. energy: -0.368
local terms energy: -61.585966
where:
bonds (distance) C4'-P energy: -9.591
bonds (distance) P-C4' energy: -13.433
flat angles C4'-P-C4' energy: -12.695
flat angles P-C4'-P energy: -9.372
tors. eta vs tors. theta energy: -16.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -162.995865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.995865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.995865 (E_RNA)
where:
Base-Base interactions energy: -105.952
where: short stacking energy: -41.221
Base-Backbone interact. energy: -0.462
local terms energy: -56.582377
where:
bonds (distance) C4'-P energy: -12.718
bonds (distance) P-C4' energy: -10.175
flat angles C4'-P-C4' energy: -11.782
flat angles P-C4'-P energy: -8.560
tors. eta vs tors. theta energy: -13.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -79.763195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.763195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.763195 (E_RNA)
where:
Base-Base interactions energy: -36.762
where: short stacking energy: -15.197
Base-Backbone interact. energy: -0.039
local terms energy: -42.961450
where:
bonds (distance) C4'-P energy: -9.661
bonds (distance) P-C4' energy: -8.979
flat angles C4'-P-C4' energy: -8.554
flat angles P-C4'-P energy: -11.855
tors. eta vs tors. theta energy: -3.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -80.766008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.766008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.766008 (E_RNA)
where:
Base-Base interactions energy: -34.848
where: short stacking energy: -16.645
Base-Backbone interact. energy: -0.210
local terms energy: -45.707769
where:
bonds (distance) C4'-P energy: -10.896
bonds (distance) P-C4' energy: -11.277
flat angles C4'-P-C4' energy: -10.724
flat angles P-C4'-P energy: -9.631
tors. eta vs tors. theta energy: -3.179
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: 7
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -92.024462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.024462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.024462 (E_RNA)
where:
Base-Base interactions energy: -59.069
where: short stacking energy: -23.878
Base-Backbone interact. energy: -0.525
local terms energy: -32.431028
where:
bonds (distance) C4'-P energy: -7.931
bonds (distance) P-C4' energy: -10.872
flat angles C4'-P-C4' energy: -8.092
flat angles P-C4'-P energy: -3.420
tors. eta vs tors. theta energy: -2.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -56.438125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.438125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.438125 (E_RNA)
where:
Base-Base interactions energy: -24.905
where: short stacking energy: -8.870
Base-Backbone interact. energy: 0.504
local terms energy: -32.037793
where:
bonds (distance) C4'-P energy: -11.504
bonds (distance) P-C4' energy: -11.830
flat angles C4'-P-C4' energy: -12.947
flat angles P-C4'-P energy: -2.504
tors. eta vs tors. theta energy: 6.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -59.634370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.634370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.634370 (E_RNA)
where:
Base-Base interactions energy: -22.936
where: short stacking energy: -7.493
Base-Backbone interact. energy: -0.022
local terms energy: -36.677279
where:
bonds (distance) C4'-P energy: -6.503
bonds (distance) P-C4' energy: -13.216
flat angles C4'-P-C4' energy: -10.643
flat angles P-C4'-P energy: -9.104
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: 1, replica: 8
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -169.160208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.160208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.160208 (E_RNA)
where:
Base-Base interactions energy: -108.237
where: short stacking energy: -45.886
Base-Backbone interact. energy: -0.005
local terms energy: -60.918725
where:
bonds (distance) C4'-P energy: -9.235
bonds (distance) P-C4' energy: -13.500
flat angles C4'-P-C4' energy: -11.558
flat angles P-C4'-P energy: -9.439
tors. eta vs tors. theta energy: -17.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -169.789028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.789028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.789028 (E_RNA)
where:
Base-Base interactions energy: -110.129
where: short stacking energy: -46.385
Base-Backbone interact. energy: -0.220
local terms energy: -59.440456
where:
bonds (distance) C4'-P energy: -11.413
bonds (distance) P-C4' energy: -12.020
flat angles C4'-P-C4' energy: -12.436
flat angles P-C4'-P energy: -8.682
tors. eta vs tors. theta energy: -14.889
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: 3, replica: 1
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -180.128137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.128137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.128137 (E_RNA)
where:
Base-Base interactions energy: -119.099
where: short stacking energy: -45.590
Base-Backbone interact. energy: -0.283
local terms energy: -60.745297
where:
bonds (distance) C4'-P energy: -11.777
bonds (distance) P-C4' energy: -12.857
flat angles C4'-P-C4' energy: -10.124
flat angles P-C4'-P energy: -9.200
tors. eta vs tors. theta energy: -16.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -167.633931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.633931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.633931 (E_RNA)
where:
Base-Base interactions energy: -106.705
where: short stacking energy: -42.042
Base-Backbone interact. energy: -0.453
local terms energy: -60.475165
where:
bonds (distance) C4'-P energy: -10.592
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -12.841
flat angles P-C4'-P energy: -7.673
tors. eta vs tors. theta energy: -15.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -167.315154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.315154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.315154 (E_RNA)
where:
Base-Base interactions energy: -112.366
where: short stacking energy: -42.128
Base-Backbone interact. energy: -0.108
local terms energy: -54.841806
where:
bonds (distance) C4'-P energy: -8.701
bonds (distance) P-C4' energy: -11.770
flat angles C4'-P-C4' energy: -11.299
flat angles P-C4'-P energy: -8.324
tors. eta vs tors. theta energy: -14.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -71.292127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.292127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.292127 (E_RNA)
where:
Base-Base interactions energy: -30.402
where: short stacking energy: -16.681
Base-Backbone interact. energy: -0.046
local terms energy: -40.844184
where:
bonds (distance) C4'-P energy: -11.189
bonds (distance) P-C4' energy: -12.533
flat angles C4'-P-C4' energy: -9.725
flat angles P-C4'-P energy: -7.783
tors. eta vs tors. theta energy: 0.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -68.493616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.493616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.493616 (E_RNA)
where:
Base-Base interactions energy: -21.918
where: short stacking energy: -15.748
Base-Backbone interact. energy: -0.735
local terms energy: -45.840983
where:
bonds (distance) C4'-P energy: -13.040
bonds (distance) P-C4' energy: -8.306
flat angles C4'-P-C4' energy: -11.157
flat angles P-C4'-P energy: -10.852
tors. eta vs tors. theta energy: -2.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -69.856715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.856715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.856715 (E_RNA)
where:
Base-Base interactions energy: -27.800
where: short stacking energy: -22.121
Base-Backbone interact. energy: -0.112
local terms energy: -41.944949
where:
bonds (distance) C4'-P energy: -10.478
bonds (distance) P-C4' energy: -12.295
flat angles C4'-P-C4' energy: -8.757
flat angles P-C4'-P energy: -7.447
tors. eta vs tors. theta energy: -2.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -59.374090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.374090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.374090 (E_RNA)
where:
Base-Base interactions energy: -23.315
where: short stacking energy: -18.930
Base-Backbone interact. energy: -0.000
local terms energy: -36.058544
where:
bonds (distance) C4'-P energy: -12.406
bonds (distance) P-C4' energy: -12.152
flat angles C4'-P-C4' energy: -7.086
flat angles P-C4'-P energy: -3.453
tors. eta vs tors. theta energy: -0.963
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: 10, replica: 5
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -66.962936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.962936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.962936 (E_RNA)
where:
Base-Base interactions energy: -33.202
where: short stacking energy: -12.548
Base-Backbone interact. energy: -1.246
local terms energy: -32.514613
where:
bonds (distance) C4'-P energy: -12.336
bonds (distance) P-C4' energy: -8.399
flat angles C4'-P-C4' energy: -8.747
flat angles P-C4'-P energy: -4.885
tors. eta vs tors. theta energy: 1.851
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: 6
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -175.880140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.880140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.880140 (E_RNA)
where:
Base-Base interactions energy: -114.633
where: short stacking energy: -49.374
Base-Backbone interact. energy: -0.002
local terms energy: -61.244678
where:
bonds (distance) C4'-P energy: -10.245
bonds (distance) P-C4' energy: -13.567
flat angles C4'-P-C4' energy: -11.621
flat angles P-C4'-P energy: -9.952
tors. eta vs tors. theta energy: -15.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -176.239394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.239394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.239394 (E_RNA)
where:
Base-Base interactions energy: -113.778
where: short stacking energy: -43.562
Base-Backbone interact. energy: -0.017
local terms energy: -62.444321
where:
bonds (distance) C4'-P energy: -12.812
bonds (distance) P-C4' energy: -11.080
flat angles C4'-P-C4' energy: -12.054
flat angles P-C4'-P energy: -9.273
tors. eta vs tors. theta energy: -17.225
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: 3, replica: 2
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -172.928482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.928482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.928482 (E_RNA)
where:
Base-Base interactions energy: -107.649
where: short stacking energy: -48.076
Base-Backbone interact. energy: -0.001
local terms energy: -65.278312
where:
bonds (distance) C4'-P energy: -11.732
bonds (distance) P-C4' energy: -14.597
flat angles C4'-P-C4' energy: -13.560
flat angles P-C4'-P energy: -10.369
tors. eta vs tors. theta energy: -15.020
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: 4, replica: 1
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -169.376765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.376765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.376765 (E_RNA)
where:
Base-Base interactions energy: -110.961
where: short stacking energy: -40.074
Base-Backbone interact. energy: -0.002
local terms energy: -58.413134
where:
bonds (distance) C4'-P energy: -9.708
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -13.663
flat angles P-C4'-P energy: -8.667
tors. eta vs tors. theta energy: -12.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -151.675933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.675933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.675933 (E_RNA)
where:
Base-Base interactions energy: -100.751
where: short stacking energy: -39.649
Base-Backbone interact. energy: -0.002
local terms energy: -50.922977
where:
bonds (distance) C4'-P energy: -9.044
bonds (distance) P-C4' energy: -11.027
flat angles C4'-P-C4' energy: -9.377
flat angles P-C4'-P energy: -7.423
tors. eta vs tors. theta energy: -14.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -81.791844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.791844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.791844 (E_RNA)
where:
Base-Base interactions energy: -43.233
where: short stacking energy: -25.552
Base-Backbone interact. energy: -0.029
local terms energy: -38.529847
where:
bonds (distance) C4'-P energy: -11.205
bonds (distance) P-C4' energy: -10.107
flat angles C4'-P-C4' energy: -9.975
flat angles P-C4'-P energy: -5.126
tors. eta vs tors. theta energy: -2.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -91.870330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.870330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.870330 (E_RNA)
where:
Base-Base interactions energy: -41.625
where: short stacking energy: -17.800
Base-Backbone interact. energy: -1.141
local terms energy: -49.103956
where:
bonds (distance) C4'-P energy: -10.178
bonds (distance) P-C4' energy: -12.499
flat angles C4'-P-C4' energy: -12.264
flat angles P-C4'-P energy: -9.339
tors. eta vs tors. theta energy: -4.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -78.591304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.591304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.591304 (E_RNA)
where:
Base-Base interactions energy: -37.794
where: short stacking energy: -23.959
Base-Backbone interact. energy: -0.096
local terms energy: -40.701060
where:
bonds (distance) C4'-P energy: -6.642
bonds (distance) P-C4' energy: -10.492
flat angles C4'-P-C4' energy: -10.639
flat angles P-C4'-P energy: -6.299
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: 9, replica: 7
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -62.886492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.886492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.886492 (E_RNA)
where:
Base-Base interactions energy: -25.355
where: short stacking energy: -15.563
Base-Backbone interact. energy: -0.160
local terms energy: -37.370899
where:
bonds (distance) C4'-P energy: -10.415
bonds (distance) P-C4' energy: -12.926
flat angles C4'-P-C4' energy: -8.022
flat angles P-C4'-P energy: -2.730
tors. eta vs tors. theta energy: -3.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -55.629018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.629018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.629018 (E_RNA)
where:
Base-Base interactions energy: -13.835
where: short stacking energy: -12.137
Base-Backbone interact. energy: -0.171
local terms energy: -41.622975
where:
bonds (distance) C4'-P energy: -9.223
bonds (distance) P-C4' energy: -12.747
flat angles C4'-P-C4' energy: -14.390
flat angles P-C4'-P energy: -8.488
tors. eta vs tors. theta energy: 3.225
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: 6
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -180.882079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.882079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.882079 (E_RNA)
where:
Base-Base interactions energy: -118.690
where: short stacking energy: -46.915
Base-Backbone interact. energy: -0.001
local terms energy: -62.190875
where:
bonds (distance) C4'-P energy: -11.176
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -12.965
flat angles P-C4'-P energy: -6.145
tors. eta vs tors. theta energy: -17.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -179.608641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.608641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.608641 (E_RNA)
where:
Base-Base interactions energy: -114.053
where: short stacking energy: -47.087
Base-Backbone interact. energy: -0.611
local terms energy: -64.944125
where:
bonds (distance) C4'-P energy: -11.391
bonds (distance) P-C4' energy: -13.151
flat angles C4'-P-C4' energy: -11.975
flat angles P-C4'-P energy: -10.890
tors. eta vs tors. theta energy: -17.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -172.829980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.829980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.829980 (E_RNA)
where:
Base-Base interactions energy: -110.941
where: short stacking energy: -43.786
Base-Backbone interact. energy: -0.430
local terms energy: -61.459028
where:
bonds (distance) C4'-P energy: -11.076
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -13.956
flat angles P-C4'-P energy: -5.691
tors. eta vs tors. theta energy: -16.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -171.020672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.020672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.020672 (E_RNA)
where:
Base-Base interactions energy: -112.159
where: short stacking energy: -44.963
Base-Backbone interact. energy: 0.466
local terms energy: -59.327330
where:
bonds (distance) C4'-P energy: -9.384
bonds (distance) P-C4' energy: -15.154
flat angles C4'-P-C4' energy: -12.428
flat angles P-C4'-P energy: -5.480
tors. eta vs tors. theta energy: -16.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -164.817354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.817354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.817354 (E_RNA)
where:
Base-Base interactions energy: -108.918
where: short stacking energy: -40.940
Base-Backbone interact. energy: -0.130
local terms energy: -55.769325
where:
bonds (distance) C4'-P energy: -10.105
bonds (distance) P-C4' energy: -12.616
flat angles C4'-P-C4' energy: -13.816
flat angles P-C4'-P energy: -4.919
tors. eta vs tors. theta energy: -14.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -62.949198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.949198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.949198 (E_RNA)
where:
Base-Base interactions energy: -25.866
where: short stacking energy: -12.242
Base-Backbone interact. energy: -0.329
local terms energy: -36.753959
where:
bonds (distance) C4'-P energy: -13.114
bonds (distance) P-C4' energy: -9.097
flat angles C4'-P-C4' energy: -9.594
flat angles P-C4'-P energy: -6.075
tors. eta vs tors. theta energy: 1.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -76.351592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.351592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.351592 (E_RNA)
where:
Base-Base interactions energy: -32.229
where: short stacking energy: -18.623
Base-Backbone interact. energy: -0.169
local terms energy: -43.953253
where:
bonds (distance) C4'-P energy: -10.941
bonds (distance) P-C4' energy: -11.929
flat angles C4'-P-C4' energy: -10.942
flat angles P-C4'-P energy: -8.127
tors. eta vs tors. theta energy: -2.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -66.965366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.965366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.965366 (E_RNA)
where:
Base-Base interactions energy: -32.344
where: short stacking energy: -12.868
Base-Backbone interact. energy: -1.608
local terms energy: -33.013396
where:
bonds (distance) C4'-P energy: -6.531
bonds (distance) P-C4' energy: -11.935
flat angles C4'-P-C4' energy: -5.556
flat angles P-C4'-P energy: -5.822
tors. eta vs tors. theta energy: -3.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -56.416877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.416877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.416877 (E_RNA)
where:
Base-Base interactions energy: -26.824
where: short stacking energy: -14.248
Base-Backbone interact. energy: -0.539
local terms energy: -29.053276
where:
bonds (distance) C4'-P energy: -4.399
bonds (distance) P-C4' energy: -11.806
flat angles C4'-P-C4' energy: -3.505
flat angles P-C4'-P energy: -9.844
tors. eta vs tors. theta energy: 0.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -64.204573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.204573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.204573 (E_RNA)
where:
Base-Base interactions energy: -28.582
where: short stacking energy: -9.810
Base-Backbone interact. energy: -0.268
local terms energy: -35.354037
where:
bonds (distance) C4'-P energy: -13.345
bonds (distance) P-C4' energy: -10.299
flat angles C4'-P-C4' energy: -12.455
flat angles P-C4'-P energy: 0.004
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: 1, replica: 2
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -179.210552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.210552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.210552 (E_RNA)
where:
Base-Base interactions energy: -115.242
where: short stacking energy: -43.680
Base-Backbone interact. energy: -0.153
local terms energy: -63.815382
where:
bonds (distance) C4'-P energy: -11.878
bonds (distance) P-C4' energy: -13.349
flat angles C4'-P-C4' energy: -12.683
flat angles P-C4'-P energy: -9.276
tors. eta vs tors. theta energy: -16.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -179.446579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.446579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.446579 (E_RNA)
where:
Base-Base interactions energy: -115.263
where: short stacking energy: -45.182
Base-Backbone interact. energy: -0.088
local terms energy: -64.094971
where:
bonds (distance) C4'-P energy: -9.762
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -14.646
flat angles P-C4'-P energy: -9.999
tors. eta vs tors. theta energy: -15.268
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: 422
Temperature: 1.000000
Total energy: -176.823401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.823401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.823401 (E_RNA)
where:
Base-Base interactions energy: -118.159
where: short stacking energy: -46.876
Base-Backbone interact. energy: -0.039
local terms energy: -58.625346
where:
bonds (distance) C4'-P energy: -13.003
bonds (distance) P-C4' energy: -10.867
flat angles C4'-P-C4' energy: -12.744
flat angles P-C4'-P energy: -5.231
tors. eta vs tors. theta energy: -16.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -172.305983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.305983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.305983 (E_RNA)
where:
Base-Base interactions energy: -111.404
where: short stacking energy: -43.341
Base-Backbone interact. energy: -0.002
local terms energy: -60.900538
where:
bonds (distance) C4'-P energy: -13.264
bonds (distance) P-C4' energy: -12.792
flat angles C4'-P-C4' energy: -12.094
flat angles P-C4'-P energy: -7.833
tors. eta vs tors. theta energy: -14.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -171.627118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.627118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.627118 (E_RNA)
where:
Base-Base interactions energy: -109.873
where: short stacking energy: -41.493
Base-Backbone interact. energy: -0.591
local terms energy: -61.162560
where:
bonds (distance) C4'-P energy: -13.364
bonds (distance) P-C4' energy: -12.141
flat angles C4'-P-C4' energy: -11.628
flat angles P-C4'-P energy: -8.408
tors. eta vs tors. theta energy: -15.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -72.285079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.285079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.285079 (E_RNA)
where:
Base-Base interactions energy: -26.574
where: short stacking energy: -21.170
Base-Backbone interact. energy: -0.070
local terms energy: -45.641308
where:
bonds (distance) C4'-P energy: -11.881
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -7.623
flat angles P-C4'-P energy: -9.096
tors. eta vs tors. theta energy: -3.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -63.001446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.001446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.001446 (E_RNA)
where:
Base-Base interactions energy: -23.033
where: short stacking energy: -22.673
Base-Backbone interact. energy: -0.242
local terms energy: -39.726099
where:
bonds (distance) C4'-P energy: -13.044
bonds (distance) P-C4' energy: -8.691
flat angles C4'-P-C4' energy: -5.975
flat angles P-C4'-P energy: -10.737
tors. eta vs tors. theta energy: -1.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -59.041480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.041480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.041480 (E_RNA)
where:
Base-Base interactions energy: -20.583
where: short stacking energy: -13.206
Base-Backbone interact. energy: 0.369
local terms energy: -38.827929
where:
bonds (distance) C4'-P energy: -9.695
bonds (distance) P-C4' energy: -11.637
flat angles C4'-P-C4' energy: -8.976
flat angles P-C4'-P energy: -7.616
tors. eta vs tors. theta energy: -0.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -71.327852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.327852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.327852 (E_RNA)
where:
Base-Base interactions energy: -27.818
where: short stacking energy: -15.028
Base-Backbone interact. energy: 0.194
local terms energy: -43.703552
where:
bonds (distance) C4'-P energy: -14.162
bonds (distance) P-C4' energy: -13.296
flat angles C4'-P-C4' energy: -9.494
flat angles P-C4'-P energy: -5.953
tors. eta vs tors. theta energy: -0.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -73.443009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.443009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.443009 (E_RNA)
where:
Base-Base interactions energy: -35.511
where: short stacking energy: -14.183
Base-Backbone interact. energy: -0.184
local terms energy: -37.748356
where:
bonds (distance) C4'-P energy: -12.403
bonds (distance) P-C4' energy: -12.649
flat angles C4'-P-C4' energy: -6.409
flat angles P-C4'-P energy: -7.432
tors. eta vs tors. theta energy: 1.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -183.483906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.483906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.483906 (E_RNA)
where:
Base-Base interactions energy: -115.718
where: short stacking energy: -45.170
Base-Backbone interact. energy: -0.416
local terms energy: -67.350250
where:
bonds (distance) C4'-P energy: -10.473
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -14.505
flat angles P-C4'-P energy: -11.269
tors. eta vs tors. theta energy: -16.719
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: 6
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -177.261286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.261286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.261286 (E_RNA)
where:
Base-Base interactions energy: -114.247
where: short stacking energy: -47.084
Base-Backbone interact. energy: -0.001
local terms energy: -63.012607
where:
bonds (distance) C4'-P energy: -11.864
bonds (distance) P-C4' energy: -10.797
flat angles C4'-P-C4' energy: -13.256
flat angles P-C4'-P energy: -10.534
tors. eta vs tors. theta energy: -16.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -167.080267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.080267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.080267 (E_RNA)
where:
Base-Base interactions energy: -109.368
where: short stacking energy: -34.715
Base-Backbone interact. energy: 0.402
local terms energy: -58.114568
where:
bonds (distance) C4'-P energy: -12.613
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -11.029
flat angles P-C4'-P energy: -7.581
tors. eta vs tors. theta energy: -13.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -176.331728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.331728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.331728 (E_RNA)
where:
Base-Base interactions energy: -113.170
where: short stacking energy: -45.907
Base-Backbone interact. energy: -0.179
local terms energy: -62.982888
where:
bonds (distance) C4'-P energy: -11.197
bonds (distance) P-C4' energy: -13.525
flat angles C4'-P-C4' energy: -11.994
flat angles P-C4'-P energy: -8.597
tors. eta vs tors. theta energy: -17.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -135.714948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.714948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.714948 (E_RNA)
where:
Base-Base interactions energy: -83.358
where: short stacking energy: -32.668
Base-Backbone interact. energy: 0.555
local terms energy: -52.911398
where:
bonds (distance) C4'-P energy: -12.928
bonds (distance) P-C4' energy: -11.738
flat angles C4'-P-C4' energy: -8.163
flat angles P-C4'-P energy: -6.042
tors. eta vs tors. theta energy: -14.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -70.913074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.913074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.913074 (E_RNA)
where:
Base-Base interactions energy: -30.676
where: short stacking energy: -16.540
Base-Backbone interact. energy: -0.088
local terms energy: -40.149306
where:
bonds (distance) C4'-P energy: -12.357
bonds (distance) P-C4' energy: -12.676
flat angles C4'-P-C4' energy: -9.421
flat angles P-C4'-P energy: -7.269
tors. eta vs tors. theta energy: 1.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -76.737487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.737487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.737487 (E_RNA)
where:
Base-Base interactions energy: -34.702
where: short stacking energy: -17.710
Base-Backbone interact. energy: -1.395
local terms energy: -40.641245
where:
bonds (distance) C4'-P energy: -9.720
bonds (distance) P-C4' energy: -10.018
flat angles C4'-P-C4' energy: -10.410
flat angles P-C4'-P energy: -9.544
tors. eta vs tors. theta energy: -0.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -73.219110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.219110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.219110 (E_RNA)
where:
Base-Base interactions energy: -31.327
where: short stacking energy: -23.183
Base-Backbone interact. energy: -0.287
local terms energy: -41.604835
where:
bonds (distance) C4'-P energy: -10.142
bonds (distance) P-C4' energy: -14.047
flat angles C4'-P-C4' energy: -7.398
flat angles P-C4'-P energy: -6.029
tors. eta vs tors. theta energy: -3.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -66.865081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.865081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.865081 (E_RNA)
where:
Base-Base interactions energy: -21.383
where: short stacking energy: -21.383
Base-Backbone interact. energy: -0.138
local terms energy: -45.344608
where:
bonds (distance) C4'-P energy: -10.340
bonds (distance) P-C4' energy: -12.886
flat angles C4'-P-C4' energy: -11.902
flat angles P-C4'-P energy: -6.853
tors. eta vs tors. theta energy: -3.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -56.321118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.321118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.321118 (E_RNA)
where:
Base-Base interactions energy: -6.965
where: short stacking energy: -6.717
Base-Backbone interact. energy: -0.078
local terms energy: -49.278088
where:
bonds (distance) C4'-P energy: -10.908
bonds (distance) P-C4' energy: -10.340
flat angles C4'-P-C4' energy: -10.705
flat angles P-C4'-P energy: -9.253
tors. eta vs tors. theta energy: -8.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -183.399483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.399483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.399483 (E_RNA)
where:
Base-Base interactions energy: -116.501
where: short stacking energy: -41.793
Base-Backbone interact. energy: -0.082
local terms energy: -66.816240
where:
bonds (distance) C4'-P energy: -13.602
bonds (distance) P-C4' energy: -14.141
flat angles C4'-P-C4' energy: -13.183
flat angles P-C4'-P energy: -8.860
tors. eta vs tors. theta energy: -17.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -183.369460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.369460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.369460 (E_RNA)
where:
Base-Base interactions energy: -118.793
where: short stacking energy: -49.381
Base-Backbone interact. energy: -0.061
local terms energy: -64.515652
where:
bonds (distance) C4'-P energy: -11.338
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -13.066
flat angles P-C4'-P energy: -8.992
tors. eta vs tors. theta energy: -17.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -167.536215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.536215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.536215 (E_RNA)
where:
Base-Base interactions energy: -114.781
where: short stacking energy: -41.920
Base-Backbone interact. energy: -0.005
local terms energy: -52.750368
where:
bonds (distance) C4'-P energy: -10.324
bonds (distance) P-C4' energy: -10.268
flat angles C4'-P-C4' energy: -10.887
flat angles P-C4'-P energy: -8.027
tors. eta vs tors. theta energy: -13.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -166.636211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.636211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.636211 (E_RNA)
where:
Base-Base interactions energy: -108.560
where: short stacking energy: -37.963
Base-Backbone interact. energy: -0.153
local terms energy: -57.923413
where:
bonds (distance) C4'-P energy: -12.717
bonds (distance) P-C4' energy: -14.217
flat angles C4'-P-C4' energy: -11.654
flat angles P-C4'-P energy: -3.580
tors. eta vs tors. theta energy: -15.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -130.385321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.385321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.385321 (E_RNA)
where:
Base-Base interactions energy: -88.285
where: short stacking energy: -23.059
Base-Backbone interact. energy: -0.219
local terms energy: -41.881448
where:
bonds (distance) C4'-P energy: -7.398
bonds (distance) P-C4' energy: -13.539
flat angles C4'-P-C4' energy: -10.414
flat angles P-C4'-P energy: -3.134
tors. eta vs tors. theta energy: -7.396
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: 10
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -75.375453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.375453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.375453 (E_RNA)
where:
Base-Base interactions energy: -32.118
where: short stacking energy: -19.531
Base-Backbone interact. energy: -0.179
local terms energy: -43.077838
where:
bonds (distance) C4'-P energy: -9.938
bonds (distance) P-C4' energy: -12.402
flat angles C4'-P-C4' energy: -10.471
flat angles P-C4'-P energy: -7.694
tors. eta vs tors. theta energy: -2.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -62.539828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.539828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.539828 (E_RNA)
where:
Base-Base interactions energy: -21.763
where: short stacking energy: -7.108
Base-Backbone interact. energy: -0.560
local terms energy: -40.216844
where:
bonds (distance) C4'-P energy: -11.474
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -7.408
flat angles P-C4'-P energy: -8.528
tors. eta vs tors. theta energy: 1.841
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: 9
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -64.791000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.791000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.791000 (E_RNA)
where:
Base-Base interactions energy: -21.760
where: short stacking energy: -16.341
Base-Backbone interact. energy: -0.712
local terms energy: -42.319186
where:
bonds (distance) C4'-P energy: -9.512
bonds (distance) P-C4' energy: -13.036
flat angles C4'-P-C4' energy: -10.530
flat angles P-C4'-P energy: -10.948
tors. eta vs tors. theta energy: 1.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -73.618289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.618289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.618289 (E_RNA)
where:
Base-Base interactions energy: -30.103
where: short stacking energy: -11.314
Base-Backbone interact. energy: -0.241
local terms energy: -43.274728
where:
bonds (distance) C4'-P energy: -11.134
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -10.384
flat angles P-C4'-P energy: -0.828
tors. eta vs tors. theta energy: -6.304
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: 4
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -69.330929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.330929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.330929 (E_RNA)
where:
Base-Base interactions energy: -34.663
where: short stacking energy: -16.546
Base-Backbone interact. energy: -0.234
local terms energy: -34.433411
where:
bonds (distance) C4'-P energy: -11.205
bonds (distance) P-C4' energy: -6.269
flat angles C4'-P-C4' energy: -11.981
flat angles P-C4'-P energy: -0.430
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: 2
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -179.483878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.483878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.483878 (E_RNA)
where:
Base-Base interactions energy: -113.806
where: short stacking energy: -43.676
Base-Backbone interact. energy: -0.071
local terms energy: -65.606558
where:
bonds (distance) C4'-P energy: -13.896
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -12.668
flat angles P-C4'-P energy: -6.616
tors. eta vs tors. theta energy: -18.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -165.575846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.575846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.575846 (E_RNA)
where:
Base-Base interactions energy: -108.853
where: short stacking energy: -38.582
Base-Backbone interact. energy: -0.020
local terms energy: -56.703269
where:
bonds (distance) C4'-P energy: -10.771
bonds (distance) P-C4' energy: -10.043
flat angles C4'-P-C4' energy: -13.832
flat angles P-C4'-P energy: -9.088
tors. eta vs tors. theta energy: -12.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -179.172684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.172684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.172684 (E_RNA)
where:
Base-Base interactions energy: -111.929
where: short stacking energy: -44.134
Base-Backbone interact. energy: -0.023
local terms energy: -67.220707
where:
bonds (distance) C4'-P energy: -12.902
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -14.411
flat angles P-C4'-P energy: -9.950
tors. eta vs tors. theta energy: -16.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -148.183070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.183070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.183070 (E_RNA)
where:
Base-Base interactions energy: -97.220
where: short stacking energy: -30.324
Base-Backbone interact. energy: -0.805
local terms energy: -50.157341
where:
bonds (distance) C4'-P energy: -8.747
bonds (distance) P-C4' energy: -11.465
flat angles C4'-P-C4' energy: -12.841
flat angles P-C4'-P energy: -8.725
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: 1
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -157.574376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.574376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.574376 (E_RNA)
where:
Base-Base interactions energy: -99.553
where: short stacking energy: -41.718
Base-Backbone interact. energy: 0.005
local terms energy: -58.025742
where:
bonds (distance) C4'-P energy: -12.207
bonds (distance) P-C4' energy: -13.430
flat angles C4'-P-C4' energy: -11.678
flat angles P-C4'-P energy: -9.326
tors. eta vs tors. theta energy: -11.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -69.501418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.501418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.501418 (E_RNA)
where:
Base-Base interactions energy: -27.343
where: short stacking energy: -13.595
Base-Backbone interact. energy: -0.122
local terms energy: -42.036857
where:
bonds (distance) C4'-P energy: -14.480
bonds (distance) P-C4' energy: -8.894
flat angles C4'-P-C4' energy: -6.468
flat angles P-C4'-P energy: -6.892
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: 7, replica: 10
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -76.501355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.501355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.501355 (E_RNA)
where:
Base-Base interactions energy: -37.963
where: short stacking energy: -14.970
Base-Backbone interact. energy: -1.148
local terms energy: -37.390892
where:
bonds (distance) C4'-P energy: -7.793
bonds (distance) P-C4' energy: -9.945
flat angles C4'-P-C4' energy: -11.060
flat angles P-C4'-P energy: -7.179
tors. eta vs tors. theta energy: -1.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -61.736527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.736527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.736527 (E_RNA)
where:
Base-Base interactions energy: -22.131
where: short stacking energy: -13.616
Base-Backbone interact. energy: 0.203
local terms energy: -39.808211
where:
bonds (distance) C4'-P energy: -11.533
bonds (distance) P-C4' energy: -12.761
flat angles C4'-P-C4' energy: -11.693
flat angles P-C4'-P energy: -1.193
tors. eta vs tors. theta energy: -2.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -70.818730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.818730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.818730 (E_RNA)
where:
Base-Base interactions energy: -38.565
where: short stacking energy: -16.952
Base-Backbone interact. energy: -0.986
local terms energy: -31.268091
where:
bonds (distance) C4'-P energy: -11.773
bonds (distance) P-C4' energy: -9.266
flat angles C4'-P-C4' energy: 0.372
flat angles P-C4'-P energy: -9.457
tors. eta vs tors. theta energy: -1.144
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: 4
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -59.411955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.411955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.411955 (E_RNA)
where:
Base-Base interactions energy: -14.443
where: short stacking energy: -14.443
Base-Backbone interact. energy: -0.888
local terms energy: -44.080735
where:
bonds (distance) C4'-P energy: -10.174
bonds (distance) P-C4' energy: -12.709
flat angles C4'-P-C4' energy: -10.799
flat angles P-C4'-P energy: -7.883
tors. eta vs tors. theta energy: -2.516
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: 2
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -180.091184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.091184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.091184 (E_RNA)
where:
Base-Base interactions energy: -119.253
where: short stacking energy: -44.387
Base-Backbone interact. energy: -0.007
local terms energy: -60.831313
where:
bonds (distance) C4'-P energy: -12.448
bonds (distance) P-C4' energy: -9.709
flat angles C4'-P-C4' energy: -10.847
flat angles P-C4'-P energy: -10.202
tors. eta vs tors. theta energy: -17.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -171.258889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.258889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.258889 (E_RNA)
where:
Base-Base interactions energy: -115.660
where: short stacking energy: -48.182
Base-Backbone interact. energy: -0.907
local terms energy: -54.692378
where:
bonds (distance) C4'-P energy: -11.653
bonds (distance) P-C4' energy: -12.951
flat angles C4'-P-C4' energy: -9.769
flat angles P-C4'-P energy: -5.044
tors. eta vs tors. theta energy: -15.275
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: 3, replica: 6
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -166.313627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.313627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.313627 (E_RNA)
where:
Base-Base interactions energy: -107.237
where: short stacking energy: -46.938
Base-Backbone interact. energy: -0.264
local terms energy: -58.812680
where:
bonds (distance) C4'-P energy: -13.752
bonds (distance) P-C4' energy: -10.091
flat angles C4'-P-C4' energy: -9.934
flat angles P-C4'-P energy: -10.540
tors. eta vs tors. theta energy: -14.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -140.146551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.146551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.146551 (E_RNA)
where:
Base-Base interactions energy: -88.525
where: short stacking energy: -26.003
Base-Backbone interact. energy: -0.766
local terms energy: -50.856080
where:
bonds (distance) C4'-P energy: -10.221
bonds (distance) P-C4' energy: -11.517
flat angles C4'-P-C4' energy: -9.211
flat angles P-C4'-P energy: -8.365
tors. eta vs tors. theta energy: -11.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -154.429436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.429436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.429436 (E_RNA)
where:
Base-Base interactions energy: -101.916
where: short stacking energy: -36.847
Base-Backbone interact. energy: -0.877
local terms energy: -51.636113
where:
bonds (distance) C4'-P energy: -12.447
bonds (distance) P-C4' energy: -11.303
flat angles C4'-P-C4' energy: -8.585
flat angles P-C4'-P energy: -6.473
tors. eta vs tors. theta energy: -12.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -76.690314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.690314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.690314 (E_RNA)
where:
Base-Base interactions energy: -32.992
where: short stacking energy: -16.668
Base-Backbone interact. energy: -0.092
local terms energy: -43.605813
where:
bonds (distance) C4'-P energy: -13.504
bonds (distance) P-C4' energy: -9.312
flat angles C4'-P-C4' energy: -5.500
flat angles P-C4'-P energy: -10.247
tors. eta vs tors. theta energy: -5.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -64.835475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.835475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.835475 (E_RNA)
where:
Base-Base interactions energy: -22.497
where: short stacking energy: -18.499
Base-Backbone interact. energy: -0.014
local terms energy: -42.325230
where:
bonds (distance) C4'-P energy: -9.892
bonds (distance) P-C4' energy: -12.782
flat angles C4'-P-C4' energy: -10.740
flat angles P-C4'-P energy: -7.915
tors. eta vs tors. theta energy: -0.996
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: 10
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -74.465704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.465704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.465704 (E_RNA)
where:
Base-Base interactions energy: -34.928
where: short stacking energy: -13.847
Base-Backbone interact. energy: -0.339
local terms energy: -39.198536
where:
bonds (distance) C4'-P energy: -9.977
bonds (distance) P-C4' energy: -10.284
flat angles C4'-P-C4' energy: -10.071
flat angles P-C4'-P energy: -9.378
tors. eta vs tors. theta energy: 0.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -62.684066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.684066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.684066 (E_RNA)
where:
Base-Base interactions energy: -20.631
where: short stacking energy: -20.087
Base-Backbone interact. energy: -0.019
local terms energy: -42.034776
where:
bonds (distance) C4'-P energy: -11.632
bonds (distance) P-C4' energy: -10.399
flat angles C4'-P-C4' energy: -9.704
flat angles P-C4'-P energy: -8.119
tors. eta vs tors. theta energy: -2.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -71.491005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.491005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.491005 (E_RNA)
where:
Base-Base interactions energy: -35.074
where: short stacking energy: -11.472
Base-Backbone interact. energy: -0.338
local terms energy: -36.079196
where:
bonds (distance) C4'-P energy: -10.569
bonds (distance) P-C4' energy: -10.211
flat angles C4'-P-C4' energy: -9.458
flat angles P-C4'-P energy: -5.669
tors. eta vs tors. theta energy: -0.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -183.892289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.892289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.892289 (E_RNA)
where:
Base-Base interactions energy: -123.209
where: short stacking energy: -37.787
Base-Backbone interact. energy: -0.407
local terms energy: -60.276824
where:
bonds (distance) C4'-P energy: -9.447
bonds (distance) P-C4' energy: -13.970
flat angles C4'-P-C4' energy: -14.406
flat angles P-C4'-P energy: -6.924
tors. eta vs tors. theta energy: -15.531
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: 2, replica: 8
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -172.504441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.504441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.504441 (E_RNA)
where:
Base-Base interactions energy: -109.744
where: short stacking energy: -40.619
Base-Backbone interact. energy: -0.108
local terms energy: -62.651919
where:
bonds (distance) C4'-P energy: -11.588
bonds (distance) P-C4' energy: -11.715
flat angles C4'-P-C4' energy: -15.116
flat angles P-C4'-P energy: -7.890
tors. eta vs tors. theta energy: -16.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -166.335332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.335332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.335332 (E_RNA)
where:
Base-Base interactions energy: -111.665
where: short stacking energy: -38.386
Base-Backbone interact. energy: -0.478
local terms energy: -54.193177
where:
bonds (distance) C4'-P energy: -9.538
bonds (distance) P-C4' energy: -11.787
flat angles C4'-P-C4' energy: -10.543
flat angles P-C4'-P energy: -8.259
tors. eta vs tors. theta energy: -14.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -144.246068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.246068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.246068 (E_RNA)
where:
Base-Base interactions energy: -93.020
where: short stacking energy: -38.172
Base-Backbone interact. energy: -0.116
local terms energy: -51.110210
where:
bonds (distance) C4'-P energy: -9.756
bonds (distance) P-C4' energy: -10.588
flat angles C4'-P-C4' energy: -12.660
flat angles P-C4'-P energy: -9.013
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: 5, replica: 3
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -107.047729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.047729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.047729 (E_RNA)
where:
Base-Base interactions energy: -65.703
where: short stacking energy: -20.844
Base-Backbone interact. energy: -0.543
local terms energy: -40.801725
where:
bonds (distance) C4'-P energy: -13.550
bonds (distance) P-C4' energy: -10.665
flat angles C4'-P-C4' energy: -9.100
flat angles P-C4'-P energy: -8.632
tors. eta vs tors. theta energy: 1.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -67.215142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.215142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.215142 (E_RNA)
where:
Base-Base interactions energy: -20.842
where: short stacking energy: -17.879
Base-Backbone interact. energy: 0.449
local terms energy: -46.822309
where:
bonds (distance) C4'-P energy: -11.168
bonds (distance) P-C4' energy: -14.364
flat angles C4'-P-C4' energy: -11.390
flat angles P-C4'-P energy: -7.878
tors. eta vs tors. theta energy: -2.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -73.109560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.109560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.109560 (E_RNA)
where:
Base-Base interactions energy: -33.681
where: short stacking energy: -14.473
Base-Backbone interact. energy: -0.027
local terms energy: -39.401943
where:
bonds (distance) C4'-P energy: -6.528
bonds (distance) P-C4' energy: -13.540
flat angles C4'-P-C4' energy: -11.275
flat angles P-C4'-P energy: -5.582
tors. eta vs tors. theta energy: -2.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -74.103616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.103616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.103616 (E_RNA)
where:
Base-Base interactions energy: -28.772
where: short stacking energy: -24.211
Base-Backbone interact. energy: -0.180
local terms energy: -45.152101
where:
bonds (distance) C4'-P energy: -12.403
bonds (distance) P-C4' energy: -7.926
flat angles C4'-P-C4' energy: -11.783
flat angles P-C4'-P energy: -4.226
tors. eta vs tors. theta energy: -8.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -61.773909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.773909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.773909 (E_RNA)
where:
Base-Base interactions energy: -28.464
where: short stacking energy: -14.202
Base-Backbone interact. energy: -0.141
local terms energy: -33.168519
where:
bonds (distance) C4'-P energy: -12.894
bonds (distance) P-C4' energy: -10.601
flat angles C4'-P-C4' energy: -11.284
flat angles P-C4'-P energy: 0.729
tors. eta vs tors. theta energy: 0.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -76.147412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.147412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.147412 (E_RNA)
where:
Base-Base interactions energy: -27.118
where: short stacking energy: -23.085
Base-Backbone interact. energy: -0.154
local terms energy: -48.876175
where:
bonds (distance) C4'-P energy: -14.216
bonds (distance) P-C4' energy: -9.007
flat angles C4'-P-C4' energy: -11.271
flat angles P-C4'-P energy: -6.148
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: 1, replica: 8
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -177.749148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.749148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.749148 (E_RNA)
where:
Base-Base interactions energy: -117.468
where: short stacking energy: -42.604
Base-Backbone interact. energy: -0.009
local terms energy: -60.272102
where:
bonds (distance) C4'-P energy: -13.486
bonds (distance) P-C4' energy: -12.303
flat angles C4'-P-C4' energy: -11.761
flat angles P-C4'-P energy: -7.524
tors. eta vs tors. theta energy: -15.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -175.098524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.098524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.098524 (E_RNA)
where:
Base-Base interactions energy: -120.267
where: short stacking energy: -46.537
Base-Backbone interact. energy: -0.024
local terms energy: -54.806842
where:
bonds (distance) C4'-P energy: -11.956
bonds (distance) P-C4' energy: -8.784
flat angles C4'-P-C4' energy: -10.728
flat angles P-C4'-P energy: -8.047
tors. eta vs tors. theta energy: -15.291
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: 6
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -176.104278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.104278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.104278 (E_RNA)
where:
Base-Base interactions energy: -113.366
where: short stacking energy: -46.198
Base-Backbone interact. energy: -0.102
local terms energy: -62.636739
where:
bonds (distance) C4'-P energy: -11.855
bonds (distance) P-C4' energy: -13.544
flat angles C4'-P-C4' energy: -12.271
flat angles P-C4'-P energy: -11.324
tors. eta vs tors. theta energy: -13.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -167.876825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.876825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.876825 (E_RNA)
where:
Base-Base interactions energy: -107.472
where: short stacking energy: -44.284
Base-Backbone interact. energy: -0.014
local terms energy: -60.391121
where:
bonds (distance) C4'-P energy: -11.819
bonds (distance) P-C4' energy: -13.604
flat angles C4'-P-C4' energy: -13.040
flat angles P-C4'-P energy: -5.270
tors. eta vs tors. theta energy: -16.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -90.710211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.710211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.710211 (E_RNA)
where:
Base-Base interactions energy: -43.603
where: short stacking energy: -18.443
Base-Backbone interact. energy: -0.055
local terms energy: -47.052112
where:
bonds (distance) C4'-P energy: -9.571
bonds (distance) P-C4' energy: -13.106
flat angles C4'-P-C4' energy: -14.075
flat angles P-C4'-P energy: -8.074
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: 6, replica: 9
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -72.774691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.774691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.774691 (E_RNA)
where:
Base-Base interactions energy: -25.309
where: short stacking energy: -19.129
Base-Backbone interact. energy: -0.183
local terms energy: -47.282958
where:
bonds (distance) C4'-P energy: -12.246
bonds (distance) P-C4' energy: -14.894
flat angles C4'-P-C4' energy: -10.885
flat angles P-C4'-P energy: -6.637
tors. eta vs tors. theta energy: -2.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -85.715853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.715853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.715853 (E_RNA)
where:
Base-Base interactions energy: -50.784
where: short stacking energy: -21.781
Base-Backbone interact. energy: -0.154
local terms energy: -34.777655
where:
bonds (distance) C4'-P energy: -13.106
bonds (distance) P-C4' energy: -3.705
flat angles C4'-P-C4' energy: -10.126
flat angles P-C4'-P energy: -2.655
tors. eta vs tors. theta energy: -5.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -62.917767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.917767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.917767 (E_RNA)
where:
Base-Base interactions energy: -18.062
where: short stacking energy: -14.942
Base-Backbone interact. energy: -0.039
local terms energy: -44.816841
where:
bonds (distance) C4'-P energy: -11.260
bonds (distance) P-C4' energy: -10.950
flat angles C4'-P-C4' energy: -7.026
flat angles P-C4'-P energy: -11.177
tors. eta vs tors. theta energy: -4.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -82.761369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.761369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.761369 (E_RNA)
where:
Base-Base interactions energy: -46.695
where: short stacking energy: -18.963
Base-Backbone interact. energy: -1.113
local terms energy: -34.954208
where:
bonds (distance) C4'-P energy: -9.600
bonds (distance) P-C4' energy: -5.266
flat angles C4'-P-C4' energy: -9.552
flat angles P-C4'-P energy: -9.716
tors. eta vs tors. theta energy: -0.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -59.841642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.841642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.841642 (E_RNA)
where:
Base-Base interactions energy: -25.864
where: short stacking energy: -17.773
Base-Backbone interact. energy: -0.202
local terms energy: -33.774961
where:
bonds (distance) C4'-P energy: -9.507
bonds (distance) P-C4' energy: -10.428
flat angles C4'-P-C4' energy: -7.417
flat angles P-C4'-P energy: -3.273
tors. eta vs tors. theta energy: -3.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -183.435562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.435562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.435562 (E_RNA)
where:
Base-Base interactions energy: -119.865
where: short stacking energy: -47.974
Base-Backbone interact. energy: -0.039
local terms energy: -63.530863
where:
bonds (distance) C4'-P energy: -12.336
bonds (distance) P-C4' energy: -13.988
flat angles C4'-P-C4' energy: -11.372
flat angles P-C4'-P energy: -11.133
tors. eta vs tors. theta energy: -14.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -176.875972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.875972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.875972 (E_RNA)
where:
Base-Base interactions energy: -118.558
where: short stacking energy: -49.488
Base-Backbone interact. energy: -0.018
local terms energy: -58.300363
where:
bonds (distance) C4'-P energy: -10.614
bonds (distance) P-C4' energy: -12.226
flat angles C4'-P-C4' energy: -10.295
flat angles P-C4'-P energy: -10.321
tors. eta vs tors. theta energy: -14.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -180.693678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.693678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.693678 (E_RNA)
where:
Base-Base interactions energy: -118.777
where: short stacking energy: -51.416
Base-Backbone interact. energy: -0.004
local terms energy: -61.913077
where:
bonds (distance) C4'-P energy: -12.050
bonds (distance) P-C4' energy: -11.529
flat angles C4'-P-C4' energy: -11.760
flat angles P-C4'-P energy: -11.195
tors. eta vs tors. theta energy: -15.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -173.720014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.720014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.720014 (E_RNA)
where:
Base-Base interactions energy: -112.171
where: short stacking energy: -39.494
Base-Backbone interact. energy: -0.471
local terms energy: -61.078839
where:
bonds (distance) C4'-P energy: -11.851
bonds (distance) P-C4' energy: -11.944
flat angles C4'-P-C4' energy: -12.152
flat angles P-C4'-P energy: -10.982
tors. eta vs tors. theta energy: -14.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -100.366964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.366964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.366964 (E_RNA)
where:
Base-Base interactions energy: -62.873
where: short stacking energy: -20.775
Base-Backbone interact. energy: -0.763
local terms energy: -36.730160
where:
bonds (distance) C4'-P energy: -9.023
bonds (distance) P-C4' energy: -6.388
flat angles C4'-P-C4' energy: -14.766
flat angles P-C4'-P energy: -4.036
tors. eta vs tors. theta energy: -2.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -72.400194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.400194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.400194 (E_RNA)
where:
Base-Base interactions energy: -35.235
where: short stacking energy: -10.279
Base-Backbone interact. energy: -0.036
local terms energy: -37.129148
where:
bonds (distance) C4'-P energy: -7.550
bonds (distance) P-C4' energy: -9.173
flat angles C4'-P-C4' energy: -10.558
flat angles P-C4'-P energy: -6.861
tors. eta vs tors. theta energy: -2.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -69.323681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.323681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.323681 (E_RNA)
where:
Base-Base interactions energy: -29.969
where: short stacking energy: -10.995
Base-Backbone interact. energy: 0.741
local terms energy: -40.095360
where:
bonds (distance) C4'-P energy: -12.688
bonds (distance) P-C4' energy: -13.480
flat angles C4'-P-C4' energy: -10.496
flat angles P-C4'-P energy: -4.464
tors. eta vs tors. theta energy: 1.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -70.084253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.084253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.084253 (E_RNA)
where:
Base-Base interactions energy: -33.427
where: short stacking energy: -14.121
Base-Backbone interact. energy: -0.122
local terms energy: -36.535291
where:
bonds (distance) C4'-P energy: -12.365
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -3.264
flat angles P-C4'-P energy: -7.163
tors. eta vs tors. theta energy: -0.449
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: 4
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -58.042487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.042487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.042487 (E_RNA)
where:
Base-Base interactions energy: -24.228
where: short stacking energy: -20.309
Base-Backbone interact. energy: -0.045
local terms energy: -33.769776
where:
bonds (distance) C4'-P energy: -7.662
bonds (distance) P-C4' energy: -12.006
flat angles C4'-P-C4' energy: -11.759
flat angles P-C4'-P energy: -4.342
tors. eta vs tors. theta energy: 1.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -63.834508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.834508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.834508 (E_RNA)
where:
Base-Base interactions energy: -25.587
where: short stacking energy: -12.317
Base-Backbone interact. energy: -0.580
local terms energy: -37.667829
where:
bonds (distance) C4'-P energy: -10.366
bonds (distance) P-C4' energy: -9.617
flat angles C4'-P-C4' energy: -10.988
flat angles P-C4'-P energy: -6.660
tors. eta vs tors. theta energy: -0.037
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: 6
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -182.669736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.669736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.669736 (E_RNA)
where:
Base-Base interactions energy: -121.985
where: short stacking energy: -39.066
Base-Backbone interact. energy: -0.491
local terms energy: -60.193182
where:
bonds (distance) C4'-P energy: -11.072
bonds (distance) P-C4' energy: -11.678
flat angles C4'-P-C4' energy: -12.390
flat angles P-C4'-P energy: -8.582
tors. eta vs tors. theta energy: -16.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -184.099561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.099561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.099561 (E_RNA)
where:
Base-Base interactions energy: -123.466
where: short stacking energy: -40.560
Base-Backbone interact. energy: -0.088
local terms energy: -60.545736
where:
bonds (distance) C4'-P energy: -12.277
bonds (distance) P-C4' energy: -12.073
flat angles C4'-P-C4' energy: -8.517
flat angles P-C4'-P energy: -10.927
tors. eta vs tors. theta energy: -16.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -174.809661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.809661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.809661 (E_RNA)
where:
Base-Base interactions energy: -112.246
where: short stacking energy: -44.117
Base-Backbone interact. energy: -0.003
local terms energy: -62.561581
where:
bonds (distance) C4'-P energy: -11.621
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -13.745
flat angles P-C4'-P energy: -4.653
tors. eta vs tors. theta energy: -17.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -173.746061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.746061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.746061 (E_RNA)
where:
Base-Base interactions energy: -108.816
where: short stacking energy: -45.797
Base-Backbone interact. energy: -0.162
local terms energy: -64.767572
where:
bonds (distance) C4'-P energy: -13.632
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -11.660
flat angles P-C4'-P energy: -9.046
tors. eta vs tors. theta energy: -16.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -71.744543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.744543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.744543 (E_RNA)
where:
Base-Base interactions energy: -27.309
where: short stacking energy: -25.249
Base-Backbone interact. energy: -0.016
local terms energy: -44.419377
where:
bonds (distance) C4'-P energy: -10.233
bonds (distance) P-C4' energy: -9.672
flat angles C4'-P-C4' energy: -11.056
flat angles P-C4'-P energy: -8.130
tors. eta vs tors. theta energy: -5.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -72.218361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.218361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.218361 (E_RNA)
where:
Base-Base interactions energy: -19.684
where: short stacking energy: -19.684
Base-Backbone interact. energy: -0.032
local terms energy: -52.502198
where:
bonds (distance) C4'-P energy: -12.770
bonds (distance) P-C4' energy: -12.556
flat angles C4'-P-C4' energy: -12.742
flat angles P-C4'-P energy: -8.676
tors. eta vs tors. theta energy: -5.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -66.475482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.475482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.475482 (E_RNA)
where:
Base-Base interactions energy: -24.099
where: short stacking energy: -15.671
Base-Backbone interact. energy: -0.274
local terms energy: -42.102152
where:
bonds (distance) C4'-P energy: -12.058
bonds (distance) P-C4' energy: -10.610
flat angles C4'-P-C4' energy: -12.268
flat angles P-C4'-P energy: -4.634
tors. eta vs tors. theta energy: -2.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -64.844407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.844407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.844407 (E_RNA)
where:
Base-Base interactions energy: -18.903
where: short stacking energy: -15.484
Base-Backbone interact. energy: -0.164
local terms energy: -45.778179
where:
bonds (distance) C4'-P energy: -9.047
bonds (distance) P-C4' energy: -12.266
flat angles C4'-P-C4' energy: -13.875
flat angles P-C4'-P energy: -8.996
tors. eta vs tors. theta energy: -1.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -63.484380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.484380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.484380 (E_RNA)
where:
Base-Base interactions energy: -18.537
where: short stacking energy: -9.392
Base-Backbone interact. energy: -0.109
local terms energy: -44.838409
where:
bonds (distance) C4'-P energy: -12.105
bonds (distance) P-C4' energy: -13.043
flat angles C4'-P-C4' energy: -9.894
flat angles P-C4'-P energy: -8.293
tors. eta vs tors. theta energy: -1.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -54.364150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.364150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.364150 (E_RNA)
where:
Base-Base interactions energy: -21.836
where: short stacking energy: -9.135
Base-Backbone interact. energy: 0.772
local terms energy: -33.299676
where:
bonds (distance) C4'-P energy: -8.933
bonds (distance) P-C4' energy: -14.843
flat angles C4'-P-C4' energy: -5.535
flat angles P-C4'-P energy: -6.094
tors. eta vs tors. theta energy: 2.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -185.650168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.650168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.650168 (E_RNA)
where:
Base-Base interactions energy: -116.754
where: short stacking energy: -45.111
Base-Backbone interact. energy: -0.299
local terms energy: -68.597693
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -13.891
flat angles C4'-P-C4' energy: -13.077
flat angles P-C4'-P energy: -11.721
tors. eta vs tors. theta energy: -16.107
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: 8
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -177.587139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.587139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.587139 (E_RNA)
where:
Base-Base interactions energy: -117.272
where: short stacking energy: -46.787
Base-Backbone interact. energy: -0.256
local terms energy: -60.059327
where:
bonds (distance) C4'-P energy: -10.925
bonds (distance) P-C4' energy: -11.129
flat angles C4'-P-C4' energy: -12.893
flat angles P-C4'-P energy: -8.325
tors. eta vs tors. theta energy: -16.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -176.256899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.256899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.256899 (E_RNA)
where:
Base-Base interactions energy: -111.413
where: short stacking energy: -46.590
Base-Backbone interact. energy: -0.013
local terms energy: -64.830987
where:
bonds (distance) C4'-P energy: -12.176
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -12.564
flat angles P-C4'-P energy: -9.270
tors. eta vs tors. theta energy: -16.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -173.551159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.551159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.551159 (E_RNA)
where:
Base-Base interactions energy: -117.042
where: short stacking energy: -39.170
Base-Backbone interact. energy: -0.520
local terms energy: -55.988428
where:
bonds (distance) C4'-P energy: -10.010
bonds (distance) P-C4' energy: -11.524
flat angles C4'-P-C4' energy: -13.577
flat angles P-C4'-P energy: -11.269
tors. eta vs tors. theta energy: -9.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -70.980615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.980615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.980615 (E_RNA)
where:
Base-Base interactions energy: -24.957
where: short stacking energy: -24.496
Base-Backbone interact. energy: -0.055
local terms energy: -45.968324
where:
bonds (distance) C4'-P energy: -12.341
bonds (distance) P-C4' energy: -12.024
flat angles C4'-P-C4' energy: -8.428
flat angles P-C4'-P energy: -7.308
tors. eta vs tors. theta energy: -5.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -81.226545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.226545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.226545 (E_RNA)
where:
Base-Base interactions energy: -41.531
where: short stacking energy: -17.583
Base-Backbone interact. energy: -0.173
local terms energy: -39.522649
where:
bonds (distance) C4'-P energy: -10.428
bonds (distance) P-C4' energy: -10.936
flat angles C4'-P-C4' energy: -12.187
flat angles P-C4'-P energy: -5.578
tors. eta vs tors. theta energy: -0.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -70.765910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.765910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.765910 (E_RNA)
where:
Base-Base interactions energy: -17.406
where: short stacking energy: -11.010
Base-Backbone interact. energy: -0.046
local terms energy: -53.313705
where:
bonds (distance) C4'-P energy: -13.612
bonds (distance) P-C4' energy: -12.980
flat angles C4'-P-C4' energy: -14.936
flat angles P-C4'-P energy: -7.495
tors. eta vs tors. theta energy: -4.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -73.900983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.900983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.900983 (E_RNA)
where:
Base-Base interactions energy: -36.176
where: short stacking energy: -11.396
Base-Backbone interact. energy: -0.293
local terms energy: -37.431217
where:
bonds (distance) C4'-P energy: -6.300
bonds (distance) P-C4' energy: -13.043
flat angles C4'-P-C4' energy: -9.299
flat angles P-C4'-P energy: -9.170
tors. eta vs tors. theta energy: 0.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -60.766540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.766540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.766540 (E_RNA)
where:
Base-Base interactions energy: -28.855
where: short stacking energy: -18.592
Base-Backbone interact. energy: -0.129
local terms energy: -31.781838
where:
bonds (distance) C4'-P energy: -8.221
bonds (distance) P-C4' energy: -14.196
flat angles C4'-P-C4' energy: -8.122
flat angles P-C4'-P energy: -3.064
tors. eta vs tors. theta energy: 1.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -57.507419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.507419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.507419 (E_RNA)
where:
Base-Base interactions energy: -20.092
where: short stacking energy: -12.316
Base-Backbone interact. energy: -0.787
local terms energy: -36.627879
where:
bonds (distance) C4'-P energy: -12.137
bonds (distance) P-C4' energy: -10.855
flat angles C4'-P-C4' energy: -10.237
flat angles P-C4'-P energy: -6.545
tors. eta vs tors. theta energy: 3.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -178.037467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.037467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.037467 (E_RNA)
where:
Base-Base interactions energy: -114.416
where: short stacking energy: -43.252
Base-Backbone interact. energy: -0.042
local terms energy: -63.578928
where:
bonds (distance) C4'-P energy: -11.234
bonds (distance) P-C4' energy: -14.064
flat angles C4'-P-C4' energy: -13.767
flat angles P-C4'-P energy: -11.021
tors. eta vs tors. theta energy: -13.493
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: 8
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -176.690108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.690108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.690108 (E_RNA)
where:
Base-Base interactions energy: -111.511
where: short stacking energy: -40.751
Base-Backbone interact. energy: -0.109
local terms energy: -65.069663
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -11.729
flat angles C4'-P-C4' energy: -13.452
flat angles P-C4'-P energy: -11.797
tors. eta vs tors. theta energy: -13.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -179.039746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.039746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.039746 (E_RNA)
where:
Base-Base interactions energy: -113.849
where: short stacking energy: -46.614
Base-Backbone interact. energy: -0.022
local terms energy: -65.168567
where:
bonds (distance) C4'-P energy: -13.549
bonds (distance) P-C4' energy: -13.212
flat angles C4'-P-C4' energy: -13.303
flat angles P-C4'-P energy: -9.880
tors. eta vs tors. theta energy: -15.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -157.821573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.821573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.821573 (E_RNA)
where:
Base-Base interactions energy: -99.057
where: short stacking energy: -38.209
Base-Backbone interact. energy: -0.196
local terms energy: -58.568406
where:
bonds (distance) C4'-P energy: -10.141
bonds (distance) P-C4' energy: -11.158
flat angles C4'-P-C4' energy: -11.133
flat angles P-C4'-P energy: -11.634
tors. eta vs tors. theta energy: -14.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -78.792735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.792735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.792735 (E_RNA)
where:
Base-Base interactions energy: -28.302
where: short stacking energy: -15.049
Base-Backbone interact. energy: -0.128
local terms energy: -50.362329
where:
bonds (distance) C4'-P energy: -11.164
bonds (distance) P-C4' energy: -11.294
flat angles C4'-P-C4' energy: -11.543
flat angles P-C4'-P energy: -10.020
tors. eta vs tors. theta energy: -6.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -70.636519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.636519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.636519 (E_RNA)
where:
Base-Base interactions energy: -22.735
where: short stacking energy: -21.499
Base-Backbone interact. energy: -0.005
local terms energy: -47.896595
where:
bonds (distance) C4'-P energy: -13.583
bonds (distance) P-C4' energy: -13.222
flat angles C4'-P-C4' energy: -7.771
flat angles P-C4'-P energy: -5.941
tors. eta vs tors. theta energy: -7.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -69.735189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.735189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.735189 (E_RNA)
where:
Base-Base interactions energy: -26.964
where: short stacking energy: -14.973
Base-Backbone interact. energy: -0.138
local terms energy: -42.632898
where:
bonds (distance) C4'-P energy: -10.034
bonds (distance) P-C4' energy: -12.969
flat angles C4'-P-C4' energy: -12.902
flat angles P-C4'-P energy: -5.402
tors. eta vs tors. theta energy: -1.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -61.781299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.781299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.781299 (E_RNA)
where:
Base-Base interactions energy: -27.227
where: short stacking energy: -14.287
Base-Backbone interact. energy: -0.545
local terms energy: -34.008604
where:
bonds (distance) C4'-P energy: -6.855
bonds (distance) P-C4' energy: -9.635
flat angles C4'-P-C4' energy: -10.440
flat angles P-C4'-P energy: -5.801
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: 9, replica: 4
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -57.722337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.722337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.722337 (E_RNA)
where:
Base-Base interactions energy: -18.564
where: short stacking energy: -12.590
Base-Backbone interact. energy: -0.111
local terms energy: -39.047465
where:
bonds (distance) C4'-P energy: -8.747
bonds (distance) P-C4' energy: -13.131
flat angles C4'-P-C4' energy: -11.533
flat angles P-C4'-P energy: -3.875
tors. eta vs tors. theta energy: -1.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -62.215186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.215186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.215186 (E_RNA)
where:
Base-Base interactions energy: -27.129
where: short stacking energy: -13.130
Base-Backbone interact. energy: -0.124
local terms energy: -34.962389
where:
bonds (distance) C4'-P energy: -9.791
bonds (distance) P-C4' energy: -4.191
flat angles C4'-P-C4' energy: -11.045
flat angles P-C4'-P energy: -6.456
tors. eta vs tors. theta energy: -3.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -178.913881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.913881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.913881 (E_RNA)
where:
Base-Base interactions energy: -115.647
where: short stacking energy: -45.642
Base-Backbone interact. energy: 1.460
local terms energy: -64.727191
where:
bonds (distance) C4'-P energy: -11.889
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -14.663
flat angles P-C4'-P energy: -10.161
tors. eta vs tors. theta energy: -14.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -184.106783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.106783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.106783 (E_RNA)
where:
Base-Base interactions energy: -121.057
where: short stacking energy: -48.095
Base-Backbone interact. energy: -0.001
local terms energy: -63.047978
where:
bonds (distance) C4'-P energy: -12.398
bonds (distance) P-C4' energy: -11.908
flat angles C4'-P-C4' energy: -12.580
flat angles P-C4'-P energy: -9.417
tors. eta vs tors. theta energy: -16.746
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: 3, replica: 8
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -176.090431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.090431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.090431 (E_RNA)
where:
Base-Base interactions energy: -115.372
where: short stacking energy: -42.663
Base-Backbone interact. energy: -0.046
local terms energy: -60.671844
where:
bonds (distance) C4'-P energy: -12.083
bonds (distance) P-C4' energy: -12.218
flat angles C4'-P-C4' energy: -14.050
flat angles P-C4'-P energy: -6.325
tors. eta vs tors. theta energy: -15.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -171.713032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.713032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.713032 (E_RNA)
where:
Base-Base interactions energy: -108.900
where: short stacking energy: -44.583
Base-Backbone interact. energy: 0.038
local terms energy: -62.850434
where:
bonds (distance) C4'-P energy: -10.772
bonds (distance) P-C4' energy: -11.953
flat angles C4'-P-C4' energy: -12.418
flat angles P-C4'-P energy: -11.061
tors. eta vs tors. theta energy: -16.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -86.274563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.274563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.274563 (E_RNA)
where:
Base-Base interactions energy: -40.630
where: short stacking energy: -11.955
Base-Backbone interact. energy: -0.844
local terms energy: -44.800107
where:
bonds (distance) C4'-P energy: -10.186
bonds (distance) P-C4' energy: -9.404
flat angles C4'-P-C4' energy: -13.276
flat angles P-C4'-P energy: -6.484
tors. eta vs tors. theta energy: -5.450
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: 7
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -77.209481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.209481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.209481 (E_RNA)
where:
Base-Base interactions energy: -29.393
where: short stacking energy: -16.249
Base-Backbone interact. energy: -0.394
local terms energy: -47.422659
where:
bonds (distance) C4'-P energy: -11.313
bonds (distance) P-C4' energy: -12.321
flat angles C4'-P-C4' energy: -14.931
flat angles P-C4'-P energy: -6.073
tors. eta vs tors. theta energy: -2.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -64.282432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.282432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.282432 (E_RNA)
where:
Base-Base interactions energy: -30.705
where: short stacking energy: -13.968
Base-Backbone interact. energy: -0.339
local terms energy: -33.238790
where:
bonds (distance) C4'-P energy: -10.319
bonds (distance) P-C4' energy: -11.592
flat angles C4'-P-C4' energy: -10.552
flat angles P-C4'-P energy: -5.622
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: 8, replica: 10
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -64.132069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.132069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.132069 (E_RNA)
where:
Base-Base interactions energy: -30.718
where: short stacking energy: -6.189
Base-Backbone interact. energy: -0.059
local terms energy: -33.355195
where:
bonds (distance) C4'-P energy: -10.385
bonds (distance) P-C4' energy: -11.295
flat angles C4'-P-C4' energy: -9.950
flat angles P-C4'-P energy: -3.662
tors. eta vs tors. theta energy: 1.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -67.751389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.751389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.751389 (E_RNA)
where:
Base-Base interactions energy: -25.053
where: short stacking energy: -19.974
Base-Backbone interact. energy: -0.048
local terms energy: -42.650530
where:
bonds (distance) C4'-P energy: -11.702
bonds (distance) P-C4' energy: -13.895
flat angles C4'-P-C4' energy: -11.727
flat angles P-C4'-P energy: -7.007
tors. eta vs tors. theta energy: 1.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -57.384963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.384963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.384963 (E_RNA)
where:
Base-Base interactions energy: -15.892
where: short stacking energy: -14.628
Base-Backbone interact. energy: -0.245
local terms energy: -41.248298
where:
bonds (distance) C4'-P energy: -14.555
bonds (distance) P-C4' energy: -9.566
flat angles C4'-P-C4' energy: -9.268
flat angles P-C4'-P energy: -7.543
tors. eta vs tors. theta energy: -0.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -176.613730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.613730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.613730 (E_RNA)
where:
Base-Base interactions energy: -116.762
where: short stacking energy: -44.185
Base-Backbone interact. energy: -0.515
local terms energy: -59.336874
where:
bonds (distance) C4'-P energy: -13.735
bonds (distance) P-C4' energy: -13.184
flat angles C4'-P-C4' energy: -13.794
flat angles P-C4'-P energy: -4.785
tors. eta vs tors. theta energy: -13.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -180.128952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.128952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.128952 (E_RNA)
where:
Base-Base interactions energy: -113.514
where: short stacking energy: -42.453
Base-Backbone interact. energy: -0.006
local terms energy: -66.609636
where:
bonds (distance) C4'-P energy: -12.304
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -13.987
flat angles P-C4'-P energy: -9.475
tors. eta vs tors. theta energy: -16.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -178.604405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.604405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.604405 (E_RNA)
where:
Base-Base interactions energy: -118.044
where: short stacking energy: -46.221
Base-Backbone interact. energy: -0.851
local terms energy: -59.709259
where:
bonds (distance) C4'-P energy: -9.636
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -11.610
flat angles P-C4'-P energy: -8.918
tors. eta vs tors. theta energy: -15.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -152.038417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.038417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.038417 (E_RNA)
where:
Base-Base interactions energy: -100.862
where: short stacking energy: -39.903
Base-Backbone interact. energy: -0.002
local terms energy: -51.174397
where:
bonds (distance) C4'-P energy: -9.271
bonds (distance) P-C4' energy: -10.363
flat angles C4'-P-C4' energy: -10.928
flat angles P-C4'-P energy: -6.262
tors. eta vs tors. theta energy: -14.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -102.558582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.558582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.558582 (E_RNA)
where:
Base-Base interactions energy: -56.925
where: short stacking energy: -19.426
Base-Backbone interact. energy: -0.023
local terms energy: -45.610830
where:
bonds (distance) C4'-P energy: -14.029
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -8.004
flat angles P-C4'-P energy: -6.240
tors. eta vs tors. theta energy: -2.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -75.725822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.725822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.725822 (E_RNA)
where:
Base-Base interactions energy: -29.898
where: short stacking energy: -23.138
Base-Backbone interact. energy: -0.126
local terms energy: -45.702591
where:
bonds (distance) C4'-P energy: -12.414
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -10.602
flat angles P-C4'-P energy: -6.358
tors. eta vs tors. theta energy: -3.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -97.454759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.454759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.454759 (E_RNA)
where:
Base-Base interactions energy: -47.756
where: short stacking energy: -25.391
Base-Backbone interact. energy: -0.229
local terms energy: -49.469335
where:
bonds (distance) C4'-P energy: -13.194
bonds (distance) P-C4' energy: -13.169
flat angles C4'-P-C4' energy: -10.233
flat angles P-C4'-P energy: -8.131
tors. eta vs tors. theta energy: -4.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -66.189916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.189916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.189916 (E_RNA)
where:
Base-Base interactions energy: -32.400
where: short stacking energy: -7.960
Base-Backbone interact. energy: -0.102
local terms energy: -33.687410
where:
bonds (distance) C4'-P energy: -12.447
bonds (distance) P-C4' energy: -10.153
flat angles C4'-P-C4' energy: -5.048
flat angles P-C4'-P energy: -6.340
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: 9, replica: 9
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -59.088175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.088175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.088175 (E_RNA)
where:
Base-Base interactions energy: -20.351
where: short stacking energy: -18.792
Base-Backbone interact. energy: -0.068
local terms energy: -38.669543
where:
bonds (distance) C4'-P energy: -9.197
bonds (distance) P-C4' energy: -11.355
flat angles C4'-P-C4' energy: -9.991
flat angles P-C4'-P energy: -3.608
tors. eta vs tors. theta energy: -4.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -76.273566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.273566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.273566 (E_RNA)
where:
Base-Base interactions energy: -33.852
where: short stacking energy: -16.777
Base-Backbone interact. energy: 1.404
local terms energy: -43.825175
where:
bonds (distance) C4'-P energy: -9.926
bonds (distance) P-C4' energy: -8.332
flat angles C4'-P-C4' energy: -9.405
flat angles P-C4'-P energy: -10.313
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: 1, replica: 6
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -178.471327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.471327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.471327 (E_RNA)
where:
Base-Base interactions energy: -115.453
where: short stacking energy: -47.929
Base-Backbone interact. energy: -0.012
local terms energy: -63.006177
where:
bonds (distance) C4'-P energy: -14.563
bonds (distance) P-C4' energy: -13.359
flat angles C4'-P-C4' energy: -12.835
flat angles P-C4'-P energy: -7.401
tors. eta vs tors. theta energy: -14.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -177.563875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.563875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.563875 (E_RNA)
where:
Base-Base interactions energy: -112.504
where: short stacking energy: -39.760
Base-Backbone interact. energy: -0.080
local terms energy: -64.980076
where:
bonds (distance) C4'-P energy: -11.645
bonds (distance) P-C4' energy: -14.853
flat angles C4'-P-C4' energy: -12.543
flat angles P-C4'-P energy: -10.152
tors. eta vs tors. theta energy: -15.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -177.057700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.057700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.057700 (E_RNA)
where:
Base-Base interactions energy: -113.650
where: short stacking energy: -39.461
Base-Backbone interact. energy: -0.004
local terms energy: -63.403707
where:
bonds (distance) C4'-P energy: -15.151
bonds (distance) P-C4' energy: -13.476
flat angles C4'-P-C4' energy: -11.806
flat angles P-C4'-P energy: -8.084
tors. eta vs tors. theta energy: -14.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -127.392920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.392920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.392920 (E_RNA)
where:
Base-Base interactions energy: -75.430
where: short stacking energy: -35.052
Base-Backbone interact. energy: -0.016
local terms energy: -51.947163
where:
bonds (distance) C4'-P energy: -9.598
bonds (distance) P-C4' energy: -12.846
flat angles C4'-P-C4' energy: -10.760
flat angles P-C4'-P energy: -8.952
tors. eta vs tors. theta energy: -9.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -138.877314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.877314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.877314 (E_RNA)
where:
Base-Base interactions energy: -83.897
where: short stacking energy: -36.602
Base-Backbone interact. energy: -0.118
local terms energy: -54.861845
where:
bonds (distance) C4'-P energy: -10.738
bonds (distance) P-C4' energy: -13.638
flat angles C4'-P-C4' energy: -11.202
flat angles P-C4'-P energy: -7.422
tors. eta vs tors. theta energy: -11.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -89.240165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.240165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.240165 (E_RNA)
where:
Base-Base interactions energy: -39.136
where: short stacking energy: -17.932
Base-Backbone interact. energy: -0.468
local terms energy: -49.635499
where:
bonds (distance) C4'-P energy: -13.470
bonds (distance) P-C4' energy: -15.079
flat angles C4'-P-C4' energy: -9.733
flat angles P-C4'-P energy: -7.234
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: 7, replica: 3
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -74.273557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.273557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.273557 (E_RNA)
where:
Base-Base interactions energy: -34.825
where: short stacking energy: -17.378
Base-Backbone interact. energy: -0.915
local terms energy: -38.533544
where:
bonds (distance) C4'-P energy: -10.170
bonds (distance) P-C4' energy: -10.831
flat angles C4'-P-C4' energy: -10.341
flat angles P-C4'-P energy: -5.556
tors. eta vs tors. theta energy: -1.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -68.915216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.915216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.915216 (E_RNA)
where:
Base-Base interactions energy: -20.169
where: short stacking energy: -20.169
Base-Backbone interact. energy: -0.003
local terms energy: -48.742690
where:
bonds (distance) C4'-P energy: -10.357
bonds (distance) P-C4' energy: -15.566
flat angles C4'-P-C4' energy: -10.653
flat angles P-C4'-P energy: -7.907
tors. eta vs tors. theta energy: -4.259
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: 9, replica: 5
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -71.949628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.949628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.949628 (E_RNA)
where:
Base-Base interactions energy: -27.672
where: short stacking energy: -15.458
Base-Backbone interact. energy: -0.031
local terms energy: -44.246407
where:
bonds (distance) C4'-P energy: -10.487
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -8.385
flat angles P-C4'-P energy: -10.132
tors. eta vs tors. theta energy: -1.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -62.842278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.842278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.842278 (E_RNA)
where:
Base-Base interactions energy: -21.015
where: short stacking energy: -11.763
Base-Backbone interact. energy: -0.284
local terms energy: -41.542598
where:
bonds (distance) C4'-P energy: -14.029
bonds (distance) P-C4' energy: -12.684
flat angles C4'-P-C4' energy: -9.418
flat angles P-C4'-P energy: -4.605
tors. eta vs tors. theta energy: -0.806
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: 8
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -183.183894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.183894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.183894 (E_RNA)
where:
Base-Base interactions energy: -121.307
where: short stacking energy: -46.385
Base-Backbone interact. energy: 0.051
local terms energy: -61.928297
where:
bonds (distance) C4'-P energy: -10.096
bonds (distance) P-C4' energy: -13.864
flat angles C4'-P-C4' energy: -13.332
flat angles P-C4'-P energy: -7.609
tors. eta vs tors. theta energy: -17.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -178.055155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.055155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.055155 (E_RNA)
where:
Base-Base interactions energy: -114.566
where: short stacking energy: -38.943
Base-Backbone interact. energy: 0.163
local terms energy: -63.652580
where:
bonds (distance) C4'-P energy: -12.837
bonds (distance) P-C4' energy: -13.938
flat angles C4'-P-C4' energy: -15.101
flat angles P-C4'-P energy: -8.739
tors. eta vs tors. theta energy: -13.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -169.866793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.866793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.866793 (E_RNA)
where:
Base-Base interactions energy: -109.647
where: short stacking energy: -36.614
Base-Backbone interact. energy: -0.129
local terms energy: -60.091284
where:
bonds (distance) C4'-P energy: -10.733
bonds (distance) P-C4' energy: -14.217
flat angles C4'-P-C4' energy: -12.597
flat angles P-C4'-P energy: -11.303
tors. eta vs tors. theta energy: -11.241
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: 7
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -140.296919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.296919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.296919 (E_RNA)
where:
Base-Base interactions energy: -84.004
where: short stacking energy: -42.096
Base-Backbone interact. energy: -0.017
local terms energy: -56.276176
where:
bonds (distance) C4'-P energy: -11.683
bonds (distance) P-C4' energy: -11.226
flat angles C4'-P-C4' energy: -11.623
flat angles P-C4'-P energy: -8.422
tors. eta vs tors. theta energy: -13.322
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: 5, replica: 2
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -162.106952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.106952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.106952 (E_RNA)
where:
Base-Base interactions energy: -105.250
where: short stacking energy: -40.389
Base-Backbone interact. energy: -0.009
local terms energy: -56.848443
where:
bonds (distance) C4'-P energy: -13.275
bonds (distance) P-C4' energy: -13.118
flat angles C4'-P-C4' energy: -10.222
flat angles P-C4'-P energy: -3.558
tors. eta vs tors. theta energy: -16.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -72.728078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.728078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.728078 (E_RNA)
where:
Base-Base interactions energy: -26.815
where: short stacking energy: -24.246
Base-Backbone interact. energy: -0.002
local terms energy: -45.910324
where:
bonds (distance) C4'-P energy: -12.600
bonds (distance) P-C4' energy: -10.332
flat angles C4'-P-C4' energy: -8.678
flat angles P-C4'-P energy: -9.676
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: 7, replica: 3
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -69.946997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.946997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.946997 (E_RNA)
where:
Base-Base interactions energy: -28.712
where: short stacking energy: -20.351
Base-Backbone interact. energy: -0.141
local terms energy: -41.094252
where:
bonds (distance) C4'-P energy: -8.154
bonds (distance) P-C4' energy: -12.233
flat angles C4'-P-C4' energy: -11.345
flat angles P-C4'-P energy: -6.990
tors. eta vs tors. theta energy: -2.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -63.369174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.369174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.369174 (E_RNA)
where:
Base-Base interactions energy: -16.306
where: short stacking energy: -16.306
Base-Backbone interact. energy: -0.117
local terms energy: -46.945497
where:
bonds (distance) C4'-P energy: -9.309
bonds (distance) P-C4' energy: -10.585
flat angles C4'-P-C4' energy: -12.420
flat angles P-C4'-P energy: -10.264
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: 9, replica: 4
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -59.192936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.192936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.192936 (E_RNA)
where:
Base-Base interactions energy: -26.599
where: short stacking energy: -7.826
Base-Backbone interact. energy: -0.581
local terms energy: -32.012693
where:
bonds (distance) C4'-P energy: -11.143
bonds (distance) P-C4' energy: -10.813
flat angles C4'-P-C4' energy: -8.977
flat angles P-C4'-P energy: -7.713
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: 10, replica: 5
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -56.125459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.125459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.125459 (E_RNA)
where:
Base-Base interactions energy: -9.807
where: short stacking energy: -9.807
Base-Backbone interact. energy: -0.098
local terms energy: -46.220554
where:
bonds (distance) C4'-P energy: -12.253
bonds (distance) P-C4' energy: -10.122
flat angles C4'-P-C4' energy: -12.111
flat angles P-C4'-P energy: -9.622
tors. eta vs tors. theta energy: -2.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -183.404399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.404399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.404399 (E_RNA)
where:
Base-Base interactions energy: -117.233
where: short stacking energy: -42.163
Base-Backbone interact. energy: 0.389
local terms energy: -66.560760
where:
bonds (distance) C4'-P energy: -14.030
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -11.028
flat angles P-C4'-P energy: -10.072
tors. eta vs tors. theta energy: -16.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -177.252990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.252990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.252990 (E_RNA)
where:
Base-Base interactions energy: -115.997
where: short stacking energy: -46.531
Base-Backbone interact. energy: -0.395
local terms energy: -60.860637
where:
bonds (distance) C4'-P energy: -11.569
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -10.909
flat angles P-C4'-P energy: -8.764
tors. eta vs tors. theta energy: -15.205
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: 3, replica: 1
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -172.321438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.321438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.321438 (E_RNA)
where:
Base-Base interactions energy: -113.718
where: short stacking energy: -42.863
Base-Backbone interact. energy: 2.983
local terms energy: -61.586711
where:
bonds (distance) C4'-P energy: -12.146
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -12.123
flat angles P-C4'-P energy: -8.314
tors. eta vs tors. theta energy: -14.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -172.332575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.332575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.332575 (E_RNA)
where:
Base-Base interactions energy: -114.013
where: short stacking energy: -48.044
Base-Backbone interact. energy: -0.048
local terms energy: -58.271308
where:
bonds (distance) C4'-P energy: -9.256
bonds (distance) P-C4' energy: -8.700
flat angles C4'-P-C4' energy: -15.005
flat angles P-C4'-P energy: -8.338
tors. eta vs tors. theta energy: -16.973
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: 5, replica: 7
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -148.642652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.642652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.642652 (E_RNA)
where:
Base-Base interactions energy: -101.948
where: short stacking energy: -37.702
Base-Backbone interact. energy: -0.105
local terms energy: -46.589768
where:
bonds (distance) C4'-P energy: -5.885
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -8.223
flat angles P-C4'-P energy: -8.556
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: 6, replica: 3
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -74.021358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.021358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.021358 (E_RNA)
where:
Base-Base interactions energy: -34.525
where: short stacking energy: -19.095
Base-Backbone interact. energy: -0.590
local terms energy: -38.906539
where:
bonds (distance) C4'-P energy: -9.294
bonds (distance) P-C4' energy: -11.175
flat angles C4'-P-C4' energy: -13.644
flat angles P-C4'-P energy: -2.505
tors. eta vs tors. theta energy: -2.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -71.747084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.747084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.747084 (E_RNA)
where:
Base-Base interactions energy: -29.703
where: short stacking energy: -11.030
Base-Backbone interact. energy: -0.204
local terms energy: -41.840643
where:
bonds (distance) C4'-P energy: -13.267
bonds (distance) P-C4' energy: -11.700
flat angles C4'-P-C4' energy: -10.241
flat angles P-C4'-P energy: -9.756
tors. eta vs tors. theta energy: 3.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -61.960164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.960164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.960164 (E_RNA)
where:
Base-Base interactions energy: -21.914
where: short stacking energy: -21.380
Base-Backbone interact. energy: 0.171
local terms energy: -40.217382
where:
bonds (distance) C4'-P energy: -9.346
bonds (distance) P-C4' energy: -9.024
flat angles C4'-P-C4' energy: -13.683
flat angles P-C4'-P energy: -8.060
tors. eta vs tors. theta energy: -0.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -65.592104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.592104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.592104 (E_RNA)
where:
Base-Base interactions energy: -31.063
where: short stacking energy: -6.060
Base-Backbone interact. energy: -0.450
local terms energy: -34.079478
where:
bonds (distance) C4'-P energy: -10.498
bonds (distance) P-C4' energy: -12.573
flat angles C4'-P-C4' energy: -12.521
flat angles P-C4'-P energy: -1.095
tors. eta vs tors. theta energy: 2.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -59.195677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.195677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.195677 (E_RNA)
where:
Base-Base interactions energy: -15.137
where: short stacking energy: -12.656
Base-Backbone interact. energy: -0.526
local terms energy: -43.532081
where:
bonds (distance) C4'-P energy: -7.140
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -11.156
flat angles P-C4'-P energy: -7.704
tors. eta vs tors. theta energy: -4.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -182.611412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.611412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.611412 (E_RNA)
where:
Base-Base interactions energy: -118.307
where: short stacking energy: -48.202
Base-Backbone interact. energy: -0.071
local terms energy: -64.234042
where:
bonds (distance) C4'-P energy: -11.562
bonds (distance) P-C4' energy: -13.147
flat angles C4'-P-C4' energy: -14.668
flat angles P-C4'-P energy: -7.964
tors. eta vs tors. theta energy: -16.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -175.788510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.788510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.788510 (E_RNA)
where:
Base-Base interactions energy: -116.090
where: short stacking energy: -39.571
Base-Backbone interact. energy: -0.793
local terms energy: -58.905039
where:
bonds (distance) C4'-P energy: -13.284
bonds (distance) P-C4' energy: -12.201
flat angles C4'-P-C4' energy: -10.719
flat angles P-C4'-P energy: -5.375
tors. eta vs tors. theta energy: -17.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -173.031242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.031242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.031242 (E_RNA)
where:
Base-Base interactions energy: -111.545
where: short stacking energy: -47.809
Base-Backbone interact. energy: -0.031
local terms energy: -61.455076
where:
bonds (distance) C4'-P energy: -11.297
bonds (distance) P-C4' energy: -10.436
flat angles C4'-P-C4' energy: -14.775
flat angles P-C4'-P energy: -8.122
tors. eta vs tors. theta energy: -16.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -175.934463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.934463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.934463 (E_RNA)
where:
Base-Base interactions energy: -117.254
where: short stacking energy: -48.467
Base-Backbone interact. energy: -0.209
local terms energy: -58.471570
where:
bonds (distance) C4'-P energy: -9.297
bonds (distance) P-C4' energy: -11.524
flat angles C4'-P-C4' energy: -11.322
flat angles P-C4'-P energy: -10.357
tors. eta vs tors. theta energy: -15.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -178.941039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.941039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.941039 (E_RNA)
where:
Base-Base interactions energy: -115.577
where: short stacking energy: -37.423
Base-Backbone interact. energy: -0.033
local terms energy: -63.330439
where:
bonds (distance) C4'-P energy: -11.594
bonds (distance) P-C4' energy: -15.079
flat angles C4'-P-C4' energy: -12.171
flat angles P-C4'-P energy: -8.953
tors. eta vs tors. theta energy: -15.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -84.961967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.961967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.961967 (E_RNA)
where:
Base-Base interactions energy: -47.557
where: short stacking energy: -21.170
Base-Backbone interact. energy: -0.862
local terms energy: -36.543646
where:
bonds (distance) C4'-P energy: -9.434
bonds (distance) P-C4' energy: -9.986
flat angles C4'-P-C4' energy: -12.656
flat angles P-C4'-P energy: -4.647
tors. eta vs tors. theta energy: 0.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -67.572900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.572900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.572900 (E_RNA)
where:
Base-Base interactions energy: -19.819
where: short stacking energy: -19.696
Base-Backbone interact. energy: -0.194
local terms energy: -47.559686
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -13.285
flat angles C4'-P-C4' energy: -12.344
flat angles P-C4'-P energy: -6.924
tors. eta vs tors. theta energy: -1.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -59.250022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.250022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.250022 (E_RNA)
where:
Base-Base interactions energy: -17.366
where: short stacking energy: -12.453
Base-Backbone interact. energy: 0.611
local terms energy: -42.495561
where:
bonds (distance) C4'-P energy: -11.925
bonds (distance) P-C4' energy: -11.284
flat angles C4'-P-C4' energy: -12.682
flat angles P-C4'-P energy: -8.345
tors. eta vs tors. theta energy: 1.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -58.982264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.982264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.982264 (E_RNA)
where:
Base-Base interactions energy: -18.187
where: short stacking energy: -11.101
Base-Backbone interact. energy: -0.153
local terms energy: -40.641562
where:
bonds (distance) C4'-P energy: -11.566
bonds (distance) P-C4' energy: -9.499
flat angles C4'-P-C4' energy: -9.924
flat angles P-C4'-P energy: -6.802
tors. eta vs tors. theta energy: -2.851
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: 5
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -59.814312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.814312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.814312 (E_RNA)
where:
Base-Base interactions energy: -18.322
where: short stacking energy: -17.358
Base-Backbone interact. energy: -0.321
local terms energy: -41.171353
where:
bonds (distance) C4'-P energy: -10.274
bonds (distance) P-C4' energy: -12.104
flat angles C4'-P-C4' energy: -13.159
flat angles P-C4'-P energy: -5.470
tors. eta vs tors. theta energy: -0.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -180.696832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.696832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.696832 (E_RNA)
where:
Base-Base interactions energy: -114.042
where: short stacking energy: -52.209
Base-Backbone interact. energy: -0.409
local terms energy: -66.246183
where:
bonds (distance) C4'-P energy: -14.261
bonds (distance) P-C4' energy: -10.718
flat angles C4'-P-C4' energy: -12.968
flat angles P-C4'-P energy: -10.152
tors. eta vs tors. theta energy: -18.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -176.007250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.007250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.007250 (E_RNA)
where:
Base-Base interactions energy: -115.791
where: short stacking energy: -43.287
Base-Backbone interact. energy: -0.230
local terms energy: -59.986376
where:
bonds (distance) C4'-P energy: -12.042
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -12.311
flat angles P-C4'-P energy: -6.832
tors. eta vs tors. theta energy: -15.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -170.526412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.526412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.526412 (E_RNA)
where:
Base-Base interactions energy: -114.401
where: short stacking energy: -43.930
Base-Backbone interact. energy: -0.002
local terms energy: -56.123592
where:
bonds (distance) C4'-P energy: -13.532
bonds (distance) P-C4' energy: -10.094
flat angles C4'-P-C4' energy: -11.220
flat angles P-C4'-P energy: -10.517
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: 1
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -162.417377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.417377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.417377 (E_RNA)
where:
Base-Base interactions energy: -109.903
where: short stacking energy: -36.430
Base-Backbone interact. energy: -0.040
local terms energy: -52.474417
where:
bonds (distance) C4'-P energy: -6.727
bonds (distance) P-C4' energy: -13.534
flat angles C4'-P-C4' energy: -10.487
flat angles P-C4'-P energy: -6.791
tors. eta vs tors. theta energy: -14.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -160.991462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.991462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.991462 (E_RNA)
where:
Base-Base interactions energy: -106.400
where: short stacking energy: -39.920
Base-Backbone interact. energy: -0.003
local terms energy: -54.587760
where:
bonds (distance) C4'-P energy: -10.819
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -5.797
flat angles P-C4'-P energy: -12.168
tors. eta vs tors. theta energy: -12.493
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: 439
Temperature: 1.150000
Total energy: -116.624542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.624542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.624542 (E_RNA)
where:
Base-Base interactions energy: -68.627
where: short stacking energy: -20.351
Base-Backbone interact. energy: -0.685
local terms energy: -47.311861
where:
bonds (distance) C4'-P energy: -6.897
bonds (distance) P-C4' energy: -11.545
flat angles C4'-P-C4' energy: -11.977
flat angles P-C4'-P energy: -7.422
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: 7, replica: 4
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -83.894846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.894846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.894846 (E_RNA)
where:
Base-Base interactions energy: -35.887
where: short stacking energy: -20.374
Base-Backbone interact. energy: -1.568
local terms energy: -46.439674
where:
bonds (distance) C4'-P energy: -11.392
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -6.683
flat angles P-C4'-P energy: -9.384
tors. eta vs tors. theta energy: -5.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -81.505791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.505791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.505791 (E_RNA)
where:
Base-Base interactions energy: -49.177
where: short stacking energy: -16.969
Base-Backbone interact. energy: -0.643
local terms energy: -31.685502
where:
bonds (distance) C4'-P energy: -11.665
bonds (distance) P-C4' energy: -14.365
flat angles C4'-P-C4' energy: -7.074
flat angles P-C4'-P energy: 0.058
tors. eta vs tors. theta energy: 1.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -53.785418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.785418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.785418 (E_RNA)
where:
Base-Base interactions energy: -12.589
where: short stacking energy: -10.732
Base-Backbone interact. energy: -0.318
local terms energy: -40.878641
where:
bonds (distance) C4'-P energy: -10.738
bonds (distance) P-C4' energy: -12.007
flat angles C4'-P-C4' energy: -9.722
flat angles P-C4'-P energy: -6.276
tors. eta vs tors. theta energy: -2.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -66.361843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.361843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.361843 (E_RNA)
where:
Base-Base interactions energy: -21.009
where: short stacking energy: -6.598
Base-Backbone interact. energy: 1.283
local terms energy: -46.635160
where:
bonds (distance) C4'-P energy: -13.206
bonds (distance) P-C4' energy: -11.471
flat angles C4'-P-C4' energy: -11.281
flat angles P-C4'-P energy: -7.186
tors. eta vs tors. theta energy: -3.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -183.219829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.219829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.219829 (E_RNA)
where:
Base-Base interactions energy: -120.144
where: short stacking energy: -49.377
Base-Backbone interact. energy: -0.008
local terms energy: -63.068063
where:
bonds (distance) C4'-P energy: -9.098
bonds (distance) P-C4' energy: -12.977
flat angles C4'-P-C4' energy: -12.552
flat angles P-C4'-P energy: -9.382
tors. eta vs tors. theta energy: -19.059
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: 2, replica: 6
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -176.987042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.987042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.987042 (E_RNA)
where:
Base-Base interactions energy: -116.808
where: short stacking energy: -45.815
Base-Backbone interact. energy: -0.003
local terms energy: -60.176304
where:
bonds (distance) C4'-P energy: -9.239
bonds (distance) P-C4' energy: -13.106
flat angles C4'-P-C4' energy: -14.228
flat angles P-C4'-P energy: -8.693
tors. eta vs tors. theta energy: -14.910
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: 1
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -176.763932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.763932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.763932 (E_RNA)
where:
Base-Base interactions energy: -112.907
where: short stacking energy: -46.255
Base-Backbone interact. energy: 0.068
local terms energy: -63.925568
where:
bonds (distance) C4'-P energy: -11.752
bonds (distance) P-C4' energy: -12.438
flat angles C4'-P-C4' energy: -11.681
flat angles P-C4'-P energy: -11.163
tors. eta vs tors. theta energy: -16.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -165.378875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.378875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.378875 (E_RNA)
where:
Base-Base interactions energy: -111.646
where: short stacking energy: -40.975
Base-Backbone interact. energy: -0.133
local terms energy: -53.599696
where:
bonds (distance) C4'-P energy: -9.115
bonds (distance) P-C4' energy: -12.631
flat angles C4'-P-C4' energy: -9.933
flat angles P-C4'-P energy: -8.639
tors. eta vs tors. theta energy: -13.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -134.780594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.780594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.780594 (E_RNA)
where:
Base-Base interactions energy: -77.004
where: short stacking energy: -29.925
Base-Backbone interact. energy: -0.068
local terms energy: -57.708909
where:
bonds (distance) C4'-P energy: -10.783
bonds (distance) P-C4' energy: -13.292
flat angles C4'-P-C4' energy: -12.400
flat angles P-C4'-P energy: -9.072
tors. eta vs tors. theta energy: -12.161
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: 6, replica: 7
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -133.800783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.800783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.800783 (E_RNA)
where:
Base-Base interactions energy: -92.766
where: short stacking energy: -29.408
Base-Backbone interact. energy: 0.178
local terms energy: -41.212222
where:
bonds (distance) C4'-P energy: -10.238
bonds (distance) P-C4' energy: -10.821
flat angles C4'-P-C4' energy: -8.738
flat angles P-C4'-P energy: -4.075
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: 9
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -70.134304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.134304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.134304 (E_RNA)
where:
Base-Base interactions energy: -20.314
where: short stacking energy: -18.983
Base-Backbone interact. energy: -0.543
local terms energy: -49.277779
where:
bonds (distance) C4'-P energy: -13.060
bonds (distance) P-C4' energy: -12.243
flat angles C4'-P-C4' energy: -11.072
flat angles P-C4'-P energy: -8.396
tors. eta vs tors. theta energy: -4.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -57.510542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.510542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.510542 (E_RNA)
where:
Base-Base interactions energy: -13.265
where: short stacking energy: -13.265
Base-Backbone interact. energy: -0.012
local terms energy: -44.233458
where:
bonds (distance) C4'-P energy: -12.493
bonds (distance) P-C4' energy: -11.985
flat angles C4'-P-C4' energy: -11.855
flat angles P-C4'-P energy: -4.481
tors. eta vs tors. theta energy: -3.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -67.537206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.537206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.537206 (E_RNA)
where:
Base-Base interactions energy: -19.343
where: short stacking energy: -16.197
Base-Backbone interact. energy: -0.221
local terms energy: -47.973479
where:
bonds (distance) C4'-P energy: -14.385
bonds (distance) P-C4' energy: -13.466
flat angles C4'-P-C4' energy: -11.884
flat angles P-C4'-P energy: -6.619
tors. eta vs tors. theta energy: -1.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -63.795477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.795477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.795477 (E_RNA)
where:
Base-Base interactions energy: -17.642
where: short stacking energy: -9.186
Base-Backbone interact. energy: -1.212
local terms energy: -44.941722
where:
bonds (distance) C4'-P energy: -12.514
bonds (distance) P-C4' energy: -12.388
flat angles C4'-P-C4' energy: -10.859
flat angles P-C4'-P energy: -6.333
tors. eta vs tors. theta energy: -2.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -180.758797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.758797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.758797 (E_RNA)
where:
Base-Base interactions energy: -120.999
where: short stacking energy: -45.134
Base-Backbone interact. energy: -0.065
local terms energy: -59.694853
where:
bonds (distance) C4'-P energy: -11.641
bonds (distance) P-C4' energy: -14.784
flat angles C4'-P-C4' energy: -11.793
flat angles P-C4'-P energy: -8.248
tors. eta vs tors. theta energy: -13.230
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: 441
Temperature: 0.950000
Total energy: -174.941459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.941459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.941459 (E_RNA)
where:
Base-Base interactions energy: -112.764
where: short stacking energy: -46.449
Base-Backbone interact. energy: -0.004
local terms energy: -62.173516
where:
bonds (distance) C4'-P energy: -12.050
bonds (distance) P-C4' energy: -11.693
flat angles C4'-P-C4' energy: -11.783
flat angles P-C4'-P energy: -8.689
tors. eta vs tors. theta energy: -17.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -176.228972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.228972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.228972 (E_RNA)
where:
Base-Base interactions energy: -114.344
where: short stacking energy: -43.133
Base-Backbone interact. energy: -1.669
local terms energy: -60.216882
where:
bonds (distance) C4'-P energy: -12.253
bonds (distance) P-C4' energy: -10.886
flat angles C4'-P-C4' energy: -11.021
flat angles P-C4'-P energy: -11.268
tors. eta vs tors. theta energy: -14.789
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: 441
Temperature: 1.050000
Total energy: -173.922148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.922148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.922148 (E_RNA)
where:
Base-Base interactions energy: -111.043
where: short stacking energy: -44.351
Base-Backbone interact. energy: -0.006
local terms energy: -62.873796
where:
bonds (distance) C4'-P energy: -12.370
bonds (distance) P-C4' energy: -11.527
flat angles C4'-P-C4' energy: -13.713
flat angles P-C4'-P energy: -8.818
tors. eta vs tors. theta energy: -16.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -166.841970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.841970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.841970 (E_RNA)
where:
Base-Base interactions energy: -103.379
where: short stacking energy: -36.725
Base-Backbone interact. energy: -0.129
local terms energy: -63.334267
where:
bonds (distance) C4'-P energy: -13.702
bonds (distance) P-C4' energy: -13.057
flat angles C4'-P-C4' energy: -11.122
flat angles P-C4'-P energy: -11.464
tors. eta vs tors. theta energy: -13.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -139.113237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.113237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.113237 (E_RNA)
where:
Base-Base interactions energy: -89.493
where: short stacking energy: -22.655
Base-Backbone interact. energy: -0.309
local terms energy: -49.311044
where:
bonds (distance) C4'-P energy: -9.230
bonds (distance) P-C4' energy: -11.542
flat angles C4'-P-C4' energy: -13.519
flat angles P-C4'-P energy: -7.332
tors. eta vs tors. theta energy: -7.688
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: 7, replica: 9
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -68.331373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.331373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.331373 (E_RNA)
where:
Base-Base interactions energy: -23.098
where: short stacking energy: -23.098
Base-Backbone interact. energy: -0.073
local terms energy: -45.159604
where:
bonds (distance) C4'-P energy: -10.357
bonds (distance) P-C4' energy: -10.729
flat angles C4'-P-C4' energy: -11.525
flat angles P-C4'-P energy: -7.312
tors. eta vs tors. theta energy: -5.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -55.762843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.762843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.762843 (E_RNA)
where:
Base-Base interactions energy: -19.018
where: short stacking energy: -12.406
Base-Backbone interact. energy: -0.138
local terms energy: -36.606858
where:
bonds (distance) C4'-P energy: -11.760
bonds (distance) P-C4' energy: -10.717
flat angles C4'-P-C4' energy: -11.289
flat angles P-C4'-P energy: -4.643
tors. eta vs tors. theta energy: 1.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -74.343197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.343197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.343197 (E_RNA)
where:
Base-Base interactions energy: -39.490
where: short stacking energy: -14.876
Base-Backbone interact. energy: -0.250
local terms energy: -34.603044
where:
bonds (distance) C4'-P energy: -11.801
bonds (distance) P-C4' energy: -11.041
flat angles C4'-P-C4' energy: -9.365
flat angles P-C4'-P energy: -3.924
tors. eta vs tors. theta energy: 1.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -69.276265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.276265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.276265 (E_RNA)
where:
Base-Base interactions energy: -22.068
where: short stacking energy: -13.926
Base-Backbone interact. energy: -0.164
local terms energy: -47.044960
where:
bonds (distance) C4'-P energy: -14.323
bonds (distance) P-C4' energy: -13.830
flat angles C4'-P-C4' energy: -8.931
flat angles P-C4'-P energy: -7.313
tors. eta vs tors. theta energy: -2.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -183.143573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.143573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.143573 (E_RNA)
where:
Base-Base interactions energy: -121.837
where: short stacking energy: -36.635
Base-Backbone interact. energy: -0.725
local terms energy: -60.581707
where:
bonds (distance) C4'-P energy: -11.143
bonds (distance) P-C4' energy: -12.338
flat angles C4'-P-C4' energy: -11.688
flat angles P-C4'-P energy: -7.792
tors. eta vs tors. theta energy: -17.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -176.190763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.190763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.190763 (E_RNA)
where:
Base-Base interactions energy: -114.356
where: short stacking energy: -46.252
Base-Backbone interact. energy: -0.184
local terms energy: -61.651078
where:
bonds (distance) C4'-P energy: -10.995
bonds (distance) P-C4' energy: -13.751
flat angles C4'-P-C4' energy: -12.397
flat angles P-C4'-P energy: -9.810
tors. eta vs tors. theta energy: -14.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -175.409527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.409527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.409527 (E_RNA)
where:
Base-Base interactions energy: -109.669
where: short stacking energy: -43.567
Base-Backbone interact. energy: -0.001
local terms energy: -65.739372
where:
bonds (distance) C4'-P energy: -13.329
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -11.945
flat angles P-C4'-P energy: -9.496
tors. eta vs tors. theta energy: -17.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -167.291638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.291638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.291638 (E_RNA)
where:
Base-Base interactions energy: -105.027
where: short stacking energy: -44.687
Base-Backbone interact. energy: -0.021
local terms energy: -62.243694
where:
bonds (distance) C4'-P energy: -11.864
bonds (distance) P-C4' energy: -11.119
flat angles C4'-P-C4' energy: -12.487
flat angles P-C4'-P energy: -8.917
tors. eta vs tors. theta energy: -17.856
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: 442
Temperature: 1.100000
Total energy: -164.644052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.644052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.644052 (E_RNA)
where:
Base-Base interactions energy: -108.104
where: short stacking energy: -43.745
Base-Backbone interact. energy: -0.023
local terms energy: -56.517266
where:
bonds (distance) C4'-P energy: -11.127
bonds (distance) P-C4' energy: -11.371
flat angles C4'-P-C4' energy: -12.100
flat angles P-C4'-P energy: -7.100
tors. eta vs tors. theta energy: -14.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -146.287758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.287758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.287758 (E_RNA)
where:
Base-Base interactions energy: -92.644
where: short stacking energy: -25.807
Base-Backbone interact. energy: -0.811
local terms energy: -52.833665
where:
bonds (distance) C4'-P energy: -11.393
bonds (distance) P-C4' energy: -15.094
flat angles C4'-P-C4' energy: -11.492
flat angles P-C4'-P energy: -9.977
tors. eta vs tors. theta energy: -4.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -66.560633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.560633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.560633 (E_RNA)
where:
Base-Base interactions energy: -20.284
where: short stacking energy: -18.967
Base-Backbone interact. energy: -1.176
local terms energy: -45.100280
where:
bonds (distance) C4'-P energy: -12.543
bonds (distance) P-C4' energy: -10.066
flat angles C4'-P-C4' energy: -12.930
flat angles P-C4'-P energy: -5.199
tors. eta vs tors. theta energy: -4.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -70.125781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.125781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.125781 (E_RNA)
where:
Base-Base interactions energy: -33.472
where: short stacking energy: -16.643
Base-Backbone interact. energy: -0.066
local terms energy: -36.588003
where:
bonds (distance) C4'-P energy: -11.413
bonds (distance) P-C4' energy: -12.546
flat angles C4'-P-C4' energy: -7.967
flat angles P-C4'-P energy: -2.921
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: 9, replica: 10
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -59.885820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.885820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.885820 (E_RNA)
where:
Base-Base interactions energy: -19.046
where: short stacking energy: -19.046
Base-Backbone interact. energy: -0.023
local terms energy: -40.816922
where:
bonds (distance) C4'-P energy: -9.314
bonds (distance) P-C4' energy: -13.184
flat angles C4'-P-C4' energy: -11.174
flat angles P-C4'-P energy: -5.870
tors. eta vs tors. theta energy: -1.274
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: 10, replica: 5
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -64.209205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.209205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.209205 (E_RNA)
where:
Base-Base interactions energy: -16.333
where: short stacking energy: -16.333
Base-Backbone interact. energy: -0.212
local terms energy: -47.664223
where:
bonds (distance) C4'-P energy: -9.952
bonds (distance) P-C4' energy: -15.368
flat angles C4'-P-C4' energy: -11.192
flat angles P-C4'-P energy: -8.563
tors. eta vs tors. theta energy: -2.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -183.488497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.488497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.488497 (E_RNA)
where:
Base-Base interactions energy: -117.538
where: short stacking energy: -49.083
Base-Backbone interact. energy: 0.497
local terms energy: -66.447933
where:
bonds (distance) C4'-P energy: -13.222
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -12.224
flat angles P-C4'-P energy: -9.281
tors. eta vs tors. theta energy: -17.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -177.114429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.114429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.114429 (E_RNA)
where:
Base-Base interactions energy: -115.004
where: short stacking energy: -46.733
Base-Backbone interact. energy: -0.788
local terms energy: -61.322087
where:
bonds (distance) C4'-P energy: -9.946
bonds (distance) P-C4' energy: -13.025
flat angles C4'-P-C4' energy: -12.231
flat angles P-C4'-P energy: -8.393
tors. eta vs tors. theta energy: -17.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -167.046170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.046170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.046170 (E_RNA)
where:
Base-Base interactions energy: -106.905
where: short stacking energy: -42.092
Base-Backbone interact. energy: -0.015
local terms energy: -60.126054
where:
bonds (distance) C4'-P energy: -14.269
bonds (distance) P-C4' energy: -12.683
flat angles C4'-P-C4' energy: -12.279
flat angles P-C4'-P energy: -7.251
tors. eta vs tors. theta energy: -13.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -167.826787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.826787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.826787 (E_RNA)
where:
Base-Base interactions energy: -108.216
where: short stacking energy: -37.585
Base-Backbone interact. energy: -0.190
local terms energy: -59.420667
where:
bonds (distance) C4'-P energy: -10.709
bonds (distance) P-C4' energy: -14.047
flat angles C4'-P-C4' energy: -13.595
flat angles P-C4'-P energy: -7.466
tors. eta vs tors. theta energy: -13.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -170.433073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.433073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.433073 (E_RNA)
where:
Base-Base interactions energy: -116.087
where: short stacking energy: -45.480
Base-Backbone interact. energy: 0.904
local terms energy: -55.249614
where:
bonds (distance) C4'-P energy: -9.544
bonds (distance) P-C4' energy: -10.960
flat angles C4'-P-C4' energy: -12.160
flat angles P-C4'-P energy: -8.178
tors. eta vs tors. theta energy: -14.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -162.082701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.082701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.082701 (E_RNA)
where:
Base-Base interactions energy: -107.542
where: short stacking energy: -37.588
Base-Backbone interact. energy: -0.186
local terms energy: -54.355075
where:
bonds (distance) C4'-P energy: -9.148
bonds (distance) P-C4' energy: -13.278
flat angles C4'-P-C4' energy: -13.298
flat angles P-C4'-P energy: -4.885
tors. eta vs tors. theta energy: -13.746
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: 443
Temperature: 1.200000
Total energy: -91.377874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.377874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.377874 (E_RNA)
where:
Base-Base interactions energy: -41.179
where: short stacking energy: -18.070
Base-Backbone interact. energy: -0.020
local terms energy: -50.179008
where:
bonds (distance) C4'-P energy: -13.061
bonds (distance) P-C4' energy: -11.545
flat angles C4'-P-C4' energy: -12.615
flat angles P-C4'-P energy: -6.259
tors. eta vs tors. theta energy: -6.700
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: 9
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -78.367817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.367817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.367817 (E_RNA)
where:
Base-Base interactions energy: -39.291
where: short stacking energy: -21.265
Base-Backbone interact. energy: -0.015
local terms energy: -39.061651
where:
bonds (distance) C4'-P energy: -12.452
bonds (distance) P-C4' energy: -8.741
flat angles C4'-P-C4' energy: -8.287
flat angles P-C4'-P energy: -7.005
tors. eta vs tors. theta energy: -2.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -69.490066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.490066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.490066 (E_RNA)
where:
Base-Base interactions energy: -41.923
where: short stacking energy: -12.107
Base-Backbone interact. energy: -0.346
local terms energy: -27.221271
where:
bonds (distance) C4'-P energy: -8.026
bonds (distance) P-C4' energy: -10.824
flat angles C4'-P-C4' energy: -4.749
flat angles P-C4'-P energy: -5.998
tors. eta vs tors. theta energy: 2.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -63.914956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.914956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.914956 (E_RNA)
where:
Base-Base interactions energy: -20.687
where: short stacking energy: -20.687
Base-Backbone interact. energy: -0.076
local terms energy: -43.151942
where:
bonds (distance) C4'-P energy: -10.920
bonds (distance) P-C4' energy: -14.325
flat angles C4'-P-C4' energy: -7.577
flat angles P-C4'-P energy: -8.404
tors. eta vs tors. theta energy: -1.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -183.097301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.097301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.097301 (E_RNA)
where:
Base-Base interactions energy: -120.728
where: short stacking energy: -38.711
Base-Backbone interact. energy: -0.048
local terms energy: -62.321877
where:
bonds (distance) C4'-P energy: -13.478
bonds (distance) P-C4' energy: -14.463
flat angles C4'-P-C4' energy: -14.031
flat angles P-C4'-P energy: -6.313
tors. eta vs tors. theta energy: -14.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -169.234738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.234738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.234738 (E_RNA)
where:
Base-Base interactions energy: -115.298
where: short stacking energy: -45.247
Base-Backbone interact. energy: -0.006
local terms energy: -53.931061
where:
bonds (distance) C4'-P energy: -10.395
bonds (distance) P-C4' energy: -13.022
flat angles C4'-P-C4' energy: -8.426
flat angles P-C4'-P energy: -9.193
tors. eta vs tors. theta energy: -12.895
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: 2
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -176.023671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.023671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.023671 (E_RNA)
where:
Base-Base interactions energy: -115.704
where: short stacking energy: -51.159
Base-Backbone interact. energy: -0.003
local terms energy: -60.316456
where:
bonds (distance) C4'-P energy: -13.165
bonds (distance) P-C4' energy: -13.106
flat angles C4'-P-C4' energy: -10.659
flat angles P-C4'-P energy: -5.790
tors. eta vs tors. theta energy: -17.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -174.228710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.228710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.228710 (E_RNA)
where:
Base-Base interactions energy: -110.850
where: short stacking energy: -46.230
Base-Backbone interact. energy: -0.030
local terms energy: -63.349106
where:
bonds (distance) C4'-P energy: -13.893
bonds (distance) P-C4' energy: -11.442
flat angles C4'-P-C4' energy: -11.110
flat angles P-C4'-P energy: -9.810
tors. eta vs tors. theta energy: -17.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -164.640760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.640760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.640760 (E_RNA)
where:
Base-Base interactions energy: -114.505
where: short stacking energy: -41.661
Base-Backbone interact. energy: -0.075
local terms energy: -50.061239
where:
bonds (distance) C4'-P energy: -7.942
bonds (distance) P-C4' energy: -5.268
flat angles C4'-P-C4' energy: -14.271
flat angles P-C4'-P energy: -10.406
tors. eta vs tors. theta energy: -12.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -154.718869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.718869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.718869 (E_RNA)
where:
Base-Base interactions energy: -95.469
where: short stacking energy: -39.805
Base-Backbone interact. energy: -0.005
local terms energy: -59.244981
where:
bonds (distance) C4'-P energy: -12.819
bonds (distance) P-C4' energy: -9.767
flat angles C4'-P-C4' energy: -12.386
flat angles P-C4'-P energy: -10.461
tors. eta vs tors. theta energy: -13.811
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: 9
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -64.578492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.578492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.578492 (E_RNA)
where:
Base-Base interactions energy: -29.486
where: short stacking energy: -18.369
Base-Backbone interact. energy: -0.198
local terms energy: -34.894506
where:
bonds (distance) C4'-P energy: -8.244
bonds (distance) P-C4' energy: -10.768
flat angles C4'-P-C4' energy: -8.630
flat angles P-C4'-P energy: -5.089
tors. eta vs tors. theta energy: -2.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -60.982930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.982930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.982930 (E_RNA)
where:
Base-Base interactions energy: -22.185
where: short stacking energy: -17.396
Base-Backbone interact. energy: 2.614
local terms energy: -41.412221
where:
bonds (distance) C4'-P energy: -11.976
bonds (distance) P-C4' energy: -7.307
flat angles C4'-P-C4' energy: -8.104
flat angles P-C4'-P energy: -10.506
tors. eta vs tors. theta energy: -3.520
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: 9, replica: 5
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -55.670849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.670849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.670849 (E_RNA)
where:
Base-Base interactions energy: -16.406
where: short stacking energy: -14.481
Base-Backbone interact. energy: -0.024
local terms energy: -39.240716
where:
bonds (distance) C4'-P energy: -10.113
bonds (distance) P-C4' energy: -12.132
flat angles C4'-P-C4' energy: -10.706
flat angles P-C4'-P energy: -6.420
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: 10
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -61.952009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.952009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.952009 (E_RNA)
where:
Base-Base interactions energy: -19.647
where: short stacking energy: -18.554
Base-Backbone interact. energy: -0.163
local terms energy: -42.141585
where:
bonds (distance) C4'-P energy: -10.623
bonds (distance) P-C4' energy: -14.023
flat angles C4'-P-C4' energy: -7.153
flat angles P-C4'-P energy: -6.866
tors. eta vs tors. theta energy: -3.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -183.609334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.609334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.609334 (E_RNA)
where:
Base-Base interactions energy: -117.853
where: short stacking energy: -48.859
Base-Backbone interact. energy: -0.049
local terms energy: -65.707597
where:
bonds (distance) C4'-P energy: -12.573
bonds (distance) P-C4' energy: -13.579
flat angles C4'-P-C4' energy: -12.494
flat angles P-C4'-P energy: -8.786
tors. eta vs tors. theta energy: -18.276
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: 2
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -173.187532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.187532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.187532 (E_RNA)
where:
Base-Base interactions energy: -116.360
where: short stacking energy: -45.719
Base-Backbone interact. energy: -0.029
local terms energy: -56.798410
where:
bonds (distance) C4'-P energy: -10.716
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -13.562
flat angles P-C4'-P energy: -5.153
tors. eta vs tors. theta energy: -13.599
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: 1
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -161.840397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.840397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.840397 (E_RNA)
where:
Base-Base interactions energy: -102.390
where: short stacking energy: -33.036
Base-Backbone interact. energy: -0.132
local terms energy: -59.318462
where:
bonds (distance) C4'-P energy: -12.716
bonds (distance) P-C4' energy: -12.649
flat angles C4'-P-C4' energy: -13.406
flat angles P-C4'-P energy: -10.841
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: 4, replica: 3
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -162.877954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.877954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.877954 (E_RNA)
where:
Base-Base interactions energy: -109.402
where: short stacking energy: -41.844
Base-Backbone interact. energy: -0.006
local terms energy: -53.469899
where:
bonds (distance) C4'-P energy: -12.274
bonds (distance) P-C4' energy: -12.792
flat angles C4'-P-C4' energy: -6.434
flat angles P-C4'-P energy: -9.405
tors. eta vs tors. theta energy: -12.565
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: 7
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -172.352532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.352532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.352532 (E_RNA)
where:
Base-Base interactions energy: -107.329
where: short stacking energy: -50.232
Base-Backbone interact. energy: -0.003
local terms energy: -65.019986
where:
bonds (distance) C4'-P energy: -11.926
bonds (distance) P-C4' energy: -13.454
flat angles C4'-P-C4' energy: -14.799
flat angles P-C4'-P energy: -8.379
tors. eta vs tors. theta energy: -16.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -78.698448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.698448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.698448 (E_RNA)
where:
Base-Base interactions energy: -30.935
where: short stacking energy: -23.195
Base-Backbone interact. energy: -0.012
local terms energy: -47.752063
where:
bonds (distance) C4'-P energy: -10.017
bonds (distance) P-C4' energy: -13.833
flat angles C4'-P-C4' energy: -7.734
flat angles P-C4'-P energy: -8.266
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: 7, replica: 6
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -104.109742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.109742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.109742 (E_RNA)
where:
Base-Base interactions energy: -55.830
where: short stacking energy: -27.332
Base-Backbone interact. energy: -0.002
local terms energy: -48.278011
where:
bonds (distance) C4'-P energy: -10.646
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -11.097
flat angles P-C4'-P energy: -5.716
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: 8, replica: 5
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -68.837202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.837202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.837202 (E_RNA)
where:
Base-Base interactions energy: -28.210
where: short stacking energy: -16.762
Base-Backbone interact. energy: -0.530
local terms energy: -40.097294
where:
bonds (distance) C4'-P energy: -11.930
bonds (distance) P-C4' energy: -12.954
flat angles C4'-P-C4' energy: -10.751
flat angles P-C4'-P energy: -6.067
tors. eta vs tors. theta energy: 1.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -61.267588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.267588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.267588 (E_RNA)
where:
Base-Base interactions energy: -29.015
where: short stacking energy: -12.588
Base-Backbone interact. energy: -0.243
local terms energy: -32.010092
where:
bonds (distance) C4'-P energy: -7.488
bonds (distance) P-C4' energy: -12.363
flat angles C4'-P-C4' energy: -12.994
flat angles P-C4'-P energy: -2.881
tors. eta vs tors. theta energy: 3.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -62.278716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.278716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.278716 (E_RNA)
where:
Base-Base interactions energy: -21.099
where: short stacking energy: -6.423
Base-Backbone interact. energy: -0.884
local terms energy: -40.295356
where:
bonds (distance) C4'-P energy: -8.826
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -8.333
flat angles P-C4'-P energy: -8.294
tors. eta vs tors. theta energy: -0.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -184.573082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.573082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.573082 (E_RNA)
where:
Base-Base interactions energy: -122.121
where: short stacking energy: -49.817
Base-Backbone interact. energy: -0.050
local terms energy: -62.402378
where:
bonds (distance) C4'-P energy: -11.623
bonds (distance) P-C4' energy: -12.800
flat angles C4'-P-C4' energy: -13.200
flat angles P-C4'-P energy: -6.709
tors. eta vs tors. theta energy: -18.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -176.526214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.526214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.526214 (E_RNA)
where:
Base-Base interactions energy: -117.722
where: short stacking energy: -37.579
Base-Backbone interact. energy: -0.054
local terms energy: -58.750032
where:
bonds (distance) C4'-P energy: -12.563
bonds (distance) P-C4' energy: -13.024
flat angles C4'-P-C4' energy: -9.717
flat angles P-C4'-P energy: -10.048
tors. eta vs tors. theta energy: -13.398
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: 1
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -178.185666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.185666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.185666 (E_RNA)
where:
Base-Base interactions energy: -113.436
where: short stacking energy: -44.412
Base-Backbone interact. energy: -0.004
local terms energy: -64.745860
where:
bonds (distance) C4'-P energy: -8.672
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -12.560
flat angles P-C4'-P energy: -11.207
tors. eta vs tors. theta energy: -17.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -174.810107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.810107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.810107 (E_RNA)
where:
Base-Base interactions energy: -112.219
where: short stacking energy: -50.037
Base-Backbone interact. energy: -0.020
local terms energy: -62.571406
where:
bonds (distance) C4'-P energy: -10.938
bonds (distance) P-C4' energy: -10.304
flat angles C4'-P-C4' energy: -12.333
flat angles P-C4'-P energy: -10.084
tors. eta vs tors. theta energy: -18.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -178.035971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.035971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.035971 (E_RNA)
where:
Base-Base interactions energy: -117.281
where: short stacking energy: -47.512
Base-Backbone interact. energy: -0.001
local terms energy: -60.753630
where:
bonds (distance) C4'-P energy: -9.462
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -11.466
flat angles P-C4'-P energy: -8.165
tors. eta vs tors. theta energy: -17.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -78.283429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.283429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.283429 (E_RNA)
where:
Base-Base interactions energy: -35.811
where: short stacking energy: -26.234
Base-Backbone interact. energy: 0.607
local terms energy: -43.079608
where:
bonds (distance) C4'-P energy: -11.768
bonds (distance) P-C4' energy: -11.314
flat angles C4'-P-C4' energy: -10.222
flat angles P-C4'-P energy: -3.611
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: 7, replica: 5
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -74.404141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.404141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.404141 (E_RNA)
where:
Base-Base interactions energy: -31.787
where: short stacking energy: -12.658
Base-Backbone interact. energy: -0.310
local terms energy: -42.307392
where:
bonds (distance) C4'-P energy: -9.558
bonds (distance) P-C4' energy: -14.146
flat angles C4'-P-C4' energy: -12.311
flat angles P-C4'-P energy: -7.581
tors. eta vs tors. theta energy: 1.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -73.909623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.909623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.909623 (E_RNA)
where:
Base-Base interactions energy: -33.082
where: short stacking energy: -18.635
Base-Backbone interact. energy: -0.048
local terms energy: -40.779453
where:
bonds (distance) C4'-P energy: -6.624
bonds (distance) P-C4' energy: -10.297
flat angles C4'-P-C4' energy: -7.507
flat angles P-C4'-P energy: -10.681
tors. eta vs tors. theta energy: -5.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -64.395409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.395409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.395409 (E_RNA)
where:
Base-Base interactions energy: -18.233
where: short stacking energy: -18.233
Base-Backbone interact. energy: -0.111
local terms energy: -46.050849
where:
bonds (distance) C4'-P energy: -13.176
bonds (distance) P-C4' energy: -11.091
flat angles C4'-P-C4' energy: -9.053
flat angles P-C4'-P energy: -10.094
tors. eta vs tors. theta energy: -2.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -57.945666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.945666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.945666 (E_RNA)
where:
Base-Base interactions energy: -16.129
where: short stacking energy: -13.861
Base-Backbone interact. energy: -0.280
local terms energy: -41.536723
where:
bonds (distance) C4'-P energy: -10.888
bonds (distance) P-C4' energy: -12.205
flat angles C4'-P-C4' energy: -10.330
flat angles P-C4'-P energy: -8.921
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: 1, replica: 2
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -184.082854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.082854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.082854 (E_RNA)
where:
Base-Base interactions energy: -115.065
where: short stacking energy: -48.125
Base-Backbone interact. energy: -0.792
local terms energy: -68.225488
where:
bonds (distance) C4'-P energy: -14.021
bonds (distance) P-C4' energy: -13.582
flat angles C4'-P-C4' energy: -14.270
flat angles P-C4'-P energy: -10.105
tors. eta vs tors. theta energy: -16.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -175.722376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.722376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.722376 (E_RNA)
where:
Base-Base interactions energy: -118.430
where: short stacking energy: -40.906
Base-Backbone interact. energy: -0.105
local terms energy: -57.187459
where:
bonds (distance) C4'-P energy: -8.796
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -12.417
flat angles P-C4'-P energy: -4.996
tors. eta vs tors. theta energy: -17.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -172.383772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.383772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.383772 (E_RNA)
where:
Base-Base interactions energy: -113.601
where: short stacking energy: -45.413
Base-Backbone interact. energy: -0.040
local terms energy: -58.742743
where:
bonds (distance) C4'-P energy: -12.625
bonds (distance) P-C4' energy: -12.607
flat angles C4'-P-C4' energy: -9.394
flat angles P-C4'-P energy: -9.076
tors. eta vs tors. theta energy: -15.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -168.800489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.800489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.800489 (E_RNA)
where:
Base-Base interactions energy: -106.594
where: short stacking energy: -38.968
Base-Backbone interact. energy: -0.032
local terms energy: -62.174357
where:
bonds (distance) C4'-P energy: -13.168
bonds (distance) P-C4' energy: -13.229
flat angles C4'-P-C4' energy: -11.333
flat angles P-C4'-P energy: -9.281
tors. eta vs tors. theta energy: -15.163
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: 5, replica: 7
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -166.734307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.734307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.734307 (E_RNA)
where:
Base-Base interactions energy: -108.069
where: short stacking energy: -43.613
Base-Backbone interact. energy: -0.026
local terms energy: -58.638893
where:
bonds (distance) C4'-P energy: -9.911
bonds (distance) P-C4' energy: -10.933
flat angles C4'-P-C4' energy: -12.443
flat angles P-C4'-P energy: -10.783
tors. eta vs tors. theta energy: -14.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -64.670356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.670356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.670356 (E_RNA)
where:
Base-Base interactions energy: -29.328
where: short stacking energy: -6.512
Base-Backbone interact. energy: -0.288
local terms energy: -35.054995
where:
bonds (distance) C4'-P energy: -10.302
bonds (distance) P-C4' energy: -12.163
flat angles C4'-P-C4' energy: -7.239
flat angles P-C4'-P energy: -2.644
tors. eta vs tors. theta energy: -2.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -65.643260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.643260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.643260 (E_RNA)
where:
Base-Base interactions energy: -20.358
where: short stacking energy: -20.268
Base-Backbone interact. energy: -0.006
local terms energy: -45.279861
where:
bonds (distance) C4'-P energy: -14.004
bonds (distance) P-C4' energy: -7.161
flat angles C4'-P-C4' energy: -11.200
flat angles P-C4'-P energy: -10.434
tors. eta vs tors. theta energy: -2.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -65.004399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.004399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.004399 (E_RNA)
where:
Base-Base interactions energy: -26.033
where: short stacking energy: -11.926
Base-Backbone interact. energy: -0.730
local terms energy: -38.241007
where:
bonds (distance) C4'-P energy: -10.233
bonds (distance) P-C4' energy: -13.864
flat angles C4'-P-C4' energy: -10.260
flat angles P-C4'-P energy: -6.012
tors. eta vs tors. theta energy: 2.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -63.030280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.030280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.030280 (E_RNA)
where:
Base-Base interactions energy: -28.615
where: short stacking energy: -12.434
Base-Backbone interact. energy: -0.272
local terms energy: -34.143206
where:
bonds (distance) C4'-P energy: -7.346
bonds (distance) P-C4' energy: -11.976
flat angles C4'-P-C4' energy: -11.080
flat angles P-C4'-P energy: -3.210
tors. eta vs tors. theta energy: -0.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -63.686985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.686985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.686985 (E_RNA)
where:
Base-Base interactions energy: -22.243
where: short stacking energy: -20.140
Base-Backbone interact. energy: -0.827
local terms energy: -40.616680
where:
bonds (distance) C4'-P energy: -8.295
bonds (distance) P-C4' energy: -13.134
flat angles C4'-P-C4' energy: -10.419
flat angles P-C4'-P energy: -4.385
tors. eta vs tors. theta energy: -4.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -180.330213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.330213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.330213 (E_RNA)
where:
Base-Base interactions energy: -114.283
where: short stacking energy: -49.213
Base-Backbone interact. energy: -0.011
local terms energy: -66.035556
where:
bonds (distance) C4'-P energy: -12.038
bonds (distance) P-C4' energy: -11.485
flat angles C4'-P-C4' energy: -15.391
flat angles P-C4'-P energy: -10.206
tors. eta vs tors. theta energy: -16.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -174.643374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.643374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.643374 (E_RNA)
where:
Base-Base interactions energy: -112.651
where: short stacking energy: -43.261
Base-Backbone interact. energy: -0.623
local terms energy: -61.369914
where:
bonds (distance) C4'-P energy: -12.402
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -9.131
flat angles P-C4'-P energy: -8.888
tors. eta vs tors. theta energy: -16.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -181.123960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.123960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.123960 (E_RNA)
where:
Base-Base interactions energy: -115.389
where: short stacking energy: -47.196
Base-Backbone interact. energy: -0.006
local terms energy: -65.728563
where:
bonds (distance) C4'-P energy: -10.022
bonds (distance) P-C4' energy: -15.114
flat angles C4'-P-C4' energy: -13.005
flat angles P-C4'-P energy: -10.190
tors. eta vs tors. theta energy: -17.397
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: 3
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -144.828135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.828135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.828135 (E_RNA)
where:
Base-Base interactions energy: -93.178
where: short stacking energy: -39.916
Base-Backbone interact. energy: -0.076
local terms energy: -51.573809
where:
bonds (distance) C4'-P energy: -11.148
bonds (distance) P-C4' energy: -10.003
flat angles C4'-P-C4' energy: -9.562
flat angles P-C4'-P energy: -7.572
tors. eta vs tors. theta energy: -13.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -169.282699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.282699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.282699 (E_RNA)
where:
Base-Base interactions energy: -111.562
where: short stacking energy: -38.801
Base-Backbone interact. energy: -0.125
local terms energy: -57.595334
where:
bonds (distance) C4'-P energy: -8.279
bonds (distance) P-C4' energy: -12.728
flat angles C4'-P-C4' energy: -13.027
flat angles P-C4'-P energy: -9.698
tors. eta vs tors. theta energy: -13.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -66.669068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.669068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.669068 (E_RNA)
where:
Base-Base interactions energy: -24.486
where: short stacking energy: -14.092
Base-Backbone interact. energy: -0.503
local terms energy: -41.679663
where:
bonds (distance) C4'-P energy: -12.025
bonds (distance) P-C4' energy: -12.733
flat angles C4'-P-C4' energy: -12.358
flat angles P-C4'-P energy: -6.869
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: 7, replica: 9
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -63.318851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.318851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.318851 (E_RNA)
where:
Base-Base interactions energy: -19.105
where: short stacking energy: -19.105
Base-Backbone interact. energy: -0.032
local terms energy: -44.182283
where:
bonds (distance) C4'-P energy: -12.174
bonds (distance) P-C4' energy: -15.330
flat angles C4'-P-C4' energy: -10.588
flat angles P-C4'-P energy: -7.478
tors. eta vs tors. theta energy: 1.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -60.861837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.861837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.861837 (E_RNA)
where:
Base-Base interactions energy: -25.264
where: short stacking energy: -9.049
Base-Backbone interact. energy: -0.359
local terms energy: -35.238778
where:
bonds (distance) C4'-P energy: -11.910
bonds (distance) P-C4' energy: -10.856
flat angles C4'-P-C4' energy: -11.315
flat angles P-C4'-P energy: 0.680
tors. eta vs tors. theta energy: -1.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -50.739723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.739723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.739723 (E_RNA)
where:
Base-Base interactions energy: -6.705
where: short stacking energy: -6.705
Base-Backbone interact. energy: -0.067
local terms energy: -43.967221
where:
bonds (distance) C4'-P energy: -13.504
bonds (distance) P-C4' energy: -13.803
flat angles C4'-P-C4' energy: -11.740
flat angles P-C4'-P energy: -8.313
tors. eta vs tors. theta energy: 3.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -71.974317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.974317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.974317 (E_RNA)
where:
Base-Base interactions energy: -32.791
where: short stacking energy: -14.279
Base-Backbone interact. energy: -0.113
local terms energy: -39.070959
where:
bonds (distance) C4'-P energy: -11.297
bonds (distance) P-C4' energy: -13.222
flat angles C4'-P-C4' energy: -12.194
flat angles P-C4'-P energy: -1.872
tors. eta vs tors. theta energy: -0.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -174.874256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.874256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.874256 (E_RNA)
where:
Base-Base interactions energy: -110.214
where: short stacking energy: -45.112
Base-Backbone interact. energy: -0.007
local terms energy: -64.653137
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -12.781
flat angles C4'-P-C4' energy: -14.208
flat angles P-C4'-P energy: -10.034
tors. eta vs tors. theta energy: -14.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -178.485446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.485446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.485446 (E_RNA)
where:
Base-Base interactions energy: -118.877
where: short stacking energy: -49.105
Base-Backbone interact. energy: -0.007
local terms energy: -59.601116
where:
bonds (distance) C4'-P energy: -12.457
bonds (distance) P-C4' energy: -11.678
flat angles C4'-P-C4' energy: -11.866
flat angles P-C4'-P energy: -7.519
tors. eta vs tors. theta energy: -16.082
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: 3, replica: 1
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -175.696675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.696675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.696675 (E_RNA)
where:
Base-Base interactions energy: -122.475
where: short stacking energy: -39.359
Base-Backbone interact. energy: -0.082
local terms energy: -53.139750
where:
bonds (distance) C4'-P energy: -9.612
bonds (distance) P-C4' energy: -13.610
flat angles C4'-P-C4' energy: -9.227
flat angles P-C4'-P energy: -4.142
tors. eta vs tors. theta energy: -16.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -177.812612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.812612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.812612 (E_RNA)
where:
Base-Base interactions energy: -107.533
where: short stacking energy: -43.906
Base-Backbone interact. energy: -0.002
local terms energy: -70.278220
where:
bonds (distance) C4'-P energy: -13.069
bonds (distance) P-C4' energy: -14.632
flat angles C4'-P-C4' energy: -13.410
flat angles P-C4'-P energy: -10.541
tors. eta vs tors. theta energy: -18.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -131.173666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.173666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.173666 (E_RNA)
where:
Base-Base interactions energy: -81.723
where: short stacking energy: -32.334
Base-Backbone interact. energy: -0.024
local terms energy: -49.426328
where:
bonds (distance) C4'-P energy: -10.460
bonds (distance) P-C4' energy: -12.581
flat angles C4'-P-C4' energy: -11.668
flat angles P-C4'-P energy: -4.326
tors. eta vs tors. theta energy: -10.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -73.381006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.381006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.381006 (E_RNA)
where:
Base-Base interactions energy: -27.170
where: short stacking energy: -27.170
Base-Backbone interact. energy: -0.084
local terms energy: -46.127324
where:
bonds (distance) C4'-P energy: -9.082
bonds (distance) P-C4' energy: -9.920
flat angles C4'-P-C4' energy: -12.118
flat angles P-C4'-P energy: -7.766
tors. eta vs tors. theta energy: -7.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -77.354479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.354479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.354479 (E_RNA)
where:
Base-Base interactions energy: -22.404
where: short stacking energy: -22.404
Base-Backbone interact. energy: 0.228
local terms energy: -55.177939
where:
bonds (distance) C4'-P energy: -13.488
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -7.830
flat angles P-C4'-P energy: -9.212
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: 8, replica: 6
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -59.021489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.021489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.021489 (E_RNA)
where:
Base-Base interactions energy: -22.786
where: short stacking energy: -14.247
Base-Backbone interact. energy: 0.526
local terms energy: -36.761724
where:
bonds (distance) C4'-P energy: -9.992
bonds (distance) P-C4' energy: -12.055
flat angles C4'-P-C4' energy: -9.677
flat angles P-C4'-P energy: -7.442
tors. eta vs tors. theta energy: 2.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -61.274716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.274716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.274716 (E_RNA)
where:
Base-Base interactions energy: -25.804
where: short stacking energy: -8.342
Base-Backbone interact. energy: -0.016
local terms energy: -35.454500
where:
bonds (distance) C4'-P energy: -10.432
bonds (distance) P-C4' energy: -10.609
flat angles C4'-P-C4' energy: -12.932
flat angles P-C4'-P energy: -4.062
tors. eta vs tors. theta energy: 2.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -63.604261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.604261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.604261 (E_RNA)
where:
Base-Base interactions energy: -23.973
where: short stacking energy: -6.705
Base-Backbone interact. energy: -0.025
local terms energy: -39.606430
where:
bonds (distance) C4'-P energy: -11.434
bonds (distance) P-C4' energy: -12.140
flat angles C4'-P-C4' energy: -7.221
flat angles P-C4'-P energy: -8.331
tors. eta vs tors. theta energy: -0.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -175.428521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.428521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.428521 (E_RNA)
where:
Base-Base interactions energy: -117.194
where: short stacking energy: -48.459
Base-Backbone interact. energy: -0.843
local terms energy: -57.391645
where:
bonds (distance) C4'-P energy: -9.624
bonds (distance) P-C4' energy: -12.750
flat angles C4'-P-C4' energy: -10.355
flat angles P-C4'-P energy: -7.886
tors. eta vs tors. theta energy: -16.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -175.521193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.521193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.521193 (E_RNA)
where:
Base-Base interactions energy: -120.145
where: short stacking energy: -49.879
Base-Backbone interact. energy: -0.190
local terms energy: -55.186078
where:
bonds (distance) C4'-P energy: -8.238
bonds (distance) P-C4' energy: -11.936
flat angles C4'-P-C4' energy: -12.044
flat angles P-C4'-P energy: -7.355
tors. eta vs tors. theta energy: -15.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -176.010374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.010374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.010374 (E_RNA)
where:
Base-Base interactions energy: -112.194
where: short stacking energy: -47.636
Base-Backbone interact. energy: -0.009
local terms energy: -63.807180
where:
bonds (distance) C4'-P energy: -8.628
bonds (distance) P-C4' energy: -13.377
flat angles C4'-P-C4' energy: -14.167
flat angles P-C4'-P energy: -9.509
tors. eta vs tors. theta energy: -18.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -161.054384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.054384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.054384 (E_RNA)
where:
Base-Base interactions energy: -100.660
where: short stacking energy: -35.597
Base-Backbone interact. energy: -0.447
local terms energy: -59.947420
where:
bonds (distance) C4'-P energy: -11.064
bonds (distance) P-C4' energy: -12.175
flat angles C4'-P-C4' energy: -14.088
flat angles P-C4'-P energy: -9.440
tors. eta vs tors. theta energy: -13.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -147.168420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.168420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.168420 (E_RNA)
where:
Base-Base interactions energy: -103.456
where: short stacking energy: -33.021
Base-Backbone interact. energy: -0.012
local terms energy: -43.700184
where:
bonds (distance) C4'-P energy: -13.069
bonds (distance) P-C4' energy: -7.488
flat angles C4'-P-C4' energy: -12.389
flat angles P-C4'-P energy: -2.430
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: 9
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -74.438088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.438088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.438088 (E_RNA)
where:
Base-Base interactions energy: -32.298
where: short stacking energy: -19.563
Base-Backbone interact. energy: 0.678
local terms energy: -42.818766
where:
bonds (distance) C4'-P energy: -10.133
bonds (distance) P-C4' energy: -13.812
flat angles C4'-P-C4' energy: -9.626
flat angles P-C4'-P energy: -5.634
tors. eta vs tors. theta energy: -3.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -68.202365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.202365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.202365 (E_RNA)
where:
Base-Base interactions energy: -23.195
where: short stacking energy: -20.774
Base-Backbone interact. energy: -0.116
local terms energy: -44.891970
where:
bonds (distance) C4'-P energy: -8.731
bonds (distance) P-C4' energy: -12.059
flat angles C4'-P-C4' energy: -11.725
flat angles P-C4'-P energy: -7.098
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: 8, replica: 5
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -66.513791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.513791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.513791 (E_RNA)
where:
Base-Base interactions energy: -22.980
where: short stacking energy: -13.380
Base-Backbone interact. energy: 0.815
local terms energy: -44.348710
where:
bonds (distance) C4'-P energy: -10.638
bonds (distance) P-C4' energy: -10.798
flat angles C4'-P-C4' energy: -12.361
flat angles P-C4'-P energy: -6.933
tors. eta vs tors. theta energy: -3.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -59.153014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.153014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.153014 (E_RNA)
where:
Base-Base interactions energy: -30.752
where: short stacking energy: -6.821
Base-Backbone interact. energy: -0.725
local terms energy: -27.676052
where:
bonds (distance) C4'-P energy: -10.018
bonds (distance) P-C4' energy: -9.717
flat angles C4'-P-C4' energy: -10.658
flat angles P-C4'-P energy: -1.827
tors. eta vs tors. theta energy: 4.543
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: 10
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -61.463427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.463427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.463427 (E_RNA)
where:
Base-Base interactions energy: -26.495
where: short stacking energy: -13.263
Base-Backbone interact. energy: -0.085
local terms energy: -34.883151
where:
bonds (distance) C4'-P energy: -10.275
bonds (distance) P-C4' energy: -13.867
flat angles C4'-P-C4' energy: -2.107
flat angles P-C4'-P energy: -5.299
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: 8
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -181.117951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.117951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.117951 (E_RNA)
where:
Base-Base interactions energy: -118.699
where: short stacking energy: -48.528
Base-Backbone interact. energy: -0.003
local terms energy: -62.416034
where:
bonds (distance) C4'-P energy: -13.193
bonds (distance) P-C4' energy: -13.575
flat angles C4'-P-C4' energy: -13.465
flat angles P-C4'-P energy: -5.655
tors. eta vs tors. theta energy: -16.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -178.798731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.798731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.798731 (E_RNA)
where:
Base-Base interactions energy: -119.459
where: short stacking energy: -43.918
Base-Backbone interact. energy: -0.153
local terms energy: -59.186586
where:
bonds (distance) C4'-P energy: -8.837
bonds (distance) P-C4' energy: -11.808
flat angles C4'-P-C4' energy: -11.743
flat angles P-C4'-P energy: -7.858
tors. eta vs tors. theta energy: -18.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -169.240940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.240940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.240940 (E_RNA)
where:
Base-Base interactions energy: -111.338
where: short stacking energy: -39.800
Base-Backbone interact. energy: -0.109
local terms energy: -57.793499
where:
bonds (distance) C4'-P energy: -9.359
bonds (distance) P-C4' energy: -12.720
flat angles C4'-P-C4' energy: -13.127
flat angles P-C4'-P energy: -9.444
tors. eta vs tors. theta energy: -13.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -183.336329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.336329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.336329 (E_RNA)
where:
Base-Base interactions energy: -122.274
where: short stacking energy: -37.226
Base-Backbone interact. energy: -0.114
local terms energy: -60.948333
where:
bonds (distance) C4'-P energy: -10.774
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -13.088
flat angles P-C4'-P energy: -11.557
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: 5, replica: 3
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -138.685311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.685311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.685311 (E_RNA)
where:
Base-Base interactions energy: -86.945
where: short stacking energy: -28.185
Base-Backbone interact. energy: -0.171
local terms energy: -51.569897
where:
bonds (distance) C4'-P energy: -12.646
bonds (distance) P-C4' energy: -14.148
flat angles C4'-P-C4' energy: -10.439
flat angles P-C4'-P energy: -8.790
tors. eta vs tors. theta energy: -5.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -75.990339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.990339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.990339 (E_RNA)
where:
Base-Base interactions energy: -33.266
where: short stacking energy: -15.917
Base-Backbone interact. energy: -0.381
local terms energy: -42.343380
where:
bonds (distance) C4'-P energy: -8.183
bonds (distance) P-C4' energy: -12.616
flat angles C4'-P-C4' energy: -10.001
flat angles P-C4'-P energy: -9.073
tors. eta vs tors. theta energy: -2.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -68.932241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.932241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.932241 (E_RNA)
where:
Base-Base interactions energy: -26.576
where: short stacking energy: -21.265
Base-Backbone interact. energy: -0.096
local terms energy: -42.260075
where:
bonds (distance) C4'-P energy: -12.121
bonds (distance) P-C4' energy: -9.529
flat angles C4'-P-C4' energy: -7.336
flat angles P-C4'-P energy: -9.541
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: 8, replica: 4
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -69.935976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.935976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.935976 (E_RNA)
where:
Base-Base interactions energy: -32.030
where: short stacking energy: -22.743
Base-Backbone interact. energy: -0.613
local terms energy: -37.292863
where:
bonds (distance) C4'-P energy: -8.676
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -10.965
flat angles P-C4'-P energy: -2.764
tors. eta vs tors. theta energy: -1.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -53.308610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.308610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.308610 (E_RNA)
where:
Base-Base interactions energy: -7.132
where: short stacking energy: -5.908
Base-Backbone interact. energy: -0.098
local terms energy: -46.079073
where:
bonds (distance) C4'-P energy: -9.885
bonds (distance) P-C4' energy: -12.882
flat angles C4'-P-C4' energy: -13.995
flat angles P-C4'-P energy: -8.257
tors. eta vs tors. theta energy: -1.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -63.486371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.486371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.486371 (E_RNA)
where:
Base-Base interactions energy: -24.426
where: short stacking energy: -10.609
Base-Backbone interact. energy: -0.502
local terms energy: -38.558896
where:
bonds (distance) C4'-P energy: -8.242
bonds (distance) P-C4' energy: -13.007
flat angles C4'-P-C4' energy: -9.675
flat angles P-C4'-P energy: -7.776
tors. eta vs tors. theta energy: 0.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -178.920064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.920064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.920064 (E_RNA)
where:
Base-Base interactions energy: -115.445
where: short stacking energy: -39.745
Base-Backbone interact. energy: -0.079
local terms energy: -63.395721
where:
bonds (distance) C4'-P energy: -12.829
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -12.418
flat angles P-C4'-P energy: -7.904
tors. eta vs tors. theta energy: -16.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -179.793578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.793578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.793578 (E_RNA)
where:
Base-Base interactions energy: -116.724
where: short stacking energy: -46.866
Base-Backbone interact. energy: -0.027
local terms energy: -63.042700
where:
bonds (distance) C4'-P energy: -13.433
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -12.137
flat angles P-C4'-P energy: -6.647
tors. eta vs tors. theta energy: -16.620
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: 1
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -173.129306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.129306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.129306 (E_RNA)
where:
Base-Base interactions energy: -116.561
where: short stacking energy: -42.982
Base-Backbone interact. energy: -1.049
local terms energy: -55.519564
where:
bonds (distance) C4'-P energy: -11.115
bonds (distance) P-C4' energy: -13.367
flat angles C4'-P-C4' energy: -11.817
flat angles P-C4'-P energy: -5.895
tors. eta vs tors. theta energy: -13.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -172.713150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.713150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.713150 (E_RNA)
where:
Base-Base interactions energy: -114.651
where: short stacking energy: -45.157
Base-Backbone interact. energy: -0.370
local terms energy: -57.692721
where:
bonds (distance) C4'-P energy: -10.244
bonds (distance) P-C4' energy: -10.052
flat angles C4'-P-C4' energy: -13.353
flat angles P-C4'-P energy: -8.060
tors. eta vs tors. theta energy: -15.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -162.439661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.439661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.439661 (E_RNA)
where:
Base-Base interactions energy: -108.721
where: short stacking energy: -45.390
Base-Backbone interact. energy: -0.006
local terms energy: -53.712936
where:
bonds (distance) C4'-P energy: -9.094
bonds (distance) P-C4' energy: -6.950
flat angles C4'-P-C4' energy: -14.174
flat angles P-C4'-P energy: -7.616
tors. eta vs tors. theta energy: -15.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -112.793233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.793233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.793233 (E_RNA)
where:
Base-Base interactions energy: -69.445
where: short stacking energy: -23.970
Base-Backbone interact. energy: -0.247
local terms energy: -43.101415
where:
bonds (distance) C4'-P energy: -10.941
bonds (distance) P-C4' energy: -12.486
flat angles C4'-P-C4' energy: -8.754
flat angles P-C4'-P energy: -5.031
tors. eta vs tors. theta energy: -5.890
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: 452
Temperature: 1.200000
Total energy: -64.735228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.735228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.735228 (E_RNA)
where:
Base-Base interactions energy: -24.131
where: short stacking energy: -3.972
Base-Backbone interact. energy: -0.195
local terms energy: -40.409342
where:
bonds (distance) C4'-P energy: -9.661
bonds (distance) P-C4' energy: -10.957
flat angles C4'-P-C4' energy: -11.582
flat angles P-C4'-P energy: -9.728
tors. eta vs tors. theta energy: 1.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -76.252450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.252450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.252450 (E_RNA)
where:
Base-Base interactions energy: -35.812
where: short stacking energy: -17.774
Base-Backbone interact. energy: -0.569
local terms energy: -39.871700
where:
bonds (distance) C4'-P energy: -10.866
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -8.769
flat angles P-C4'-P energy: -5.281
tors. eta vs tors. theta energy: -1.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -61.780977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.780977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.780977 (E_RNA)
where:
Base-Base interactions energy: -28.626
where: short stacking energy: -28.626
Base-Backbone interact. energy: 1.225
local terms energy: -34.379948
where:
bonds (distance) C4'-P energy: -7.156
bonds (distance) P-C4' energy: -7.524
flat angles C4'-P-C4' energy: -7.808
flat angles P-C4'-P energy: -7.035
tors. eta vs tors. theta energy: -4.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -58.410066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.410066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.410066 (E_RNA)
where:
Base-Base interactions energy: -15.862
where: short stacking energy: -8.482
Base-Backbone interact. energy: -0.153
local terms energy: -42.395138
where:
bonds (distance) C4'-P energy: -12.299
bonds (distance) P-C4' energy: -12.095
flat angles C4'-P-C4' energy: -9.258
flat angles P-C4'-P energy: -8.273
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: 7
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -180.435597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.435597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.435597 (E_RNA)
where:
Base-Base interactions energy: -115.591
where: short stacking energy: -47.908
Base-Backbone interact. energy: -0.358
local terms energy: -64.486667
where:
bonds (distance) C4'-P energy: -11.472
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -12.293
flat angles P-C4'-P energy: -10.779
tors. eta vs tors. theta energy: -17.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -181.628021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.628021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.628021 (E_RNA)
where:
Base-Base interactions energy: -112.213
where: short stacking energy: -45.389
Base-Backbone interact. energy: -0.025
local terms energy: -69.389905
where:
bonds (distance) C4'-P energy: -11.749
bonds (distance) P-C4' energy: -15.069
flat angles C4'-P-C4' energy: -13.934
flat angles P-C4'-P energy: -9.669
tors. eta vs tors. theta energy: -18.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -175.346430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.346430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.346430 (E_RNA)
where:
Base-Base interactions energy: -114.858
where: short stacking energy: -46.245
Base-Backbone interact. energy: -0.016
local terms energy: -60.471961
where:
bonds (distance) C4'-P energy: -12.519
bonds (distance) P-C4' energy: -10.094
flat angles C4'-P-C4' energy: -13.485
flat angles P-C4'-P energy: -8.327
tors. eta vs tors. theta energy: -16.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -173.672580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.672580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.672580 (E_RNA)
where:
Base-Base interactions energy: -111.233
where: short stacking energy: -42.442
Base-Backbone interact. energy: -0.012
local terms energy: -62.427693
where:
bonds (distance) C4'-P energy: -10.580
bonds (distance) P-C4' energy: -12.627
flat angles C4'-P-C4' energy: -11.656
flat angles P-C4'-P energy: -10.866
tors. eta vs tors. theta energy: -16.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -132.687917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.687917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.687917 (E_RNA)
where:
Base-Base interactions energy: -88.920
where: short stacking energy: -21.806
Base-Backbone interact. energy: -1.076
local terms energy: -42.692645
where:
bonds (distance) C4'-P energy: -11.293
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -9.315
flat angles P-C4'-P energy: -6.914
tors. eta vs tors. theta energy: -1.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -107.845799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.845799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.845799 (E_RNA)
where:
Base-Base interactions energy: -63.946
where: short stacking energy: -26.993
Base-Backbone interact. energy: -0.273
local terms energy: -43.627550
where:
bonds (distance) C4'-P energy: -14.509
bonds (distance) P-C4' energy: -7.862
flat angles C4'-P-C4' energy: -9.521
flat angles P-C4'-P energy: -7.090
tors. eta vs tors. theta energy: -4.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -63.370354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.370354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.370354 (E_RNA)
where:
Base-Base interactions energy: -29.032
where: short stacking energy: -26.299
Base-Backbone interact. energy: -0.266
local terms energy: -34.072996
where:
bonds (distance) C4'-P energy: -12.137
bonds (distance) P-C4' energy: -7.882
flat angles C4'-P-C4' energy: -5.679
flat angles P-C4'-P energy: -3.459
tors. eta vs tors. theta energy: -4.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -74.570800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.570800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.570800 (E_RNA)
where:
Base-Base interactions energy: -27.507
where: short stacking energy: -13.394
Base-Backbone interact. energy: -0.021
local terms energy: -47.042829
where:
bonds (distance) C4'-P energy: -13.656
bonds (distance) P-C4' energy: -13.895
flat angles C4'-P-C4' energy: -12.172
flat angles P-C4'-P energy: -5.704
tors. eta vs tors. theta energy: -1.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -69.131546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.131546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.131546 (E_RNA)
where:
Base-Base interactions energy: -26.417
where: short stacking energy: -14.226
Base-Backbone interact. energy: -0.073
local terms energy: -42.641473
where:
bonds (distance) C4'-P energy: -11.812
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -10.919
flat angles P-C4'-P energy: -4.860
tors. eta vs tors. theta energy: -0.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -57.855525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.855525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.855525 (E_RNA)
where:
Base-Base interactions energy: -18.508
where: short stacking energy: -13.004
Base-Backbone interact. energy: -0.108
local terms energy: -39.239390
where:
bonds (distance) C4'-P energy: -12.989
bonds (distance) P-C4' energy: -13.258
flat angles C4'-P-C4' energy: -5.016
flat angles P-C4'-P energy: -6.316
tors. eta vs tors. theta energy: -1.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -175.923936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.923936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.923936 (E_RNA)
where:
Base-Base interactions energy: -113.720
where: short stacking energy: -46.286
Base-Backbone interact. energy: -0.158
local terms energy: -62.046126
where:
bonds (distance) C4'-P energy: -9.156
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -14.179
flat angles P-C4'-P energy: -10.085
tors. eta vs tors. theta energy: -13.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -180.873395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.873395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.873395 (E_RNA)
where:
Base-Base interactions energy: -114.156
where: short stacking energy: -51.934
Base-Backbone interact. energy: 0.766
local terms energy: -67.483479
where:
bonds (distance) C4'-P energy: -12.995
bonds (distance) P-C4' energy: -12.987
flat angles C4'-P-C4' energy: -13.634
flat angles P-C4'-P energy: -10.883
tors. eta vs tors. theta energy: -16.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -177.056131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.056131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.056131 (E_RNA)
where:
Base-Base interactions energy: -112.338
where: short stacking energy: -47.315
Base-Backbone interact. energy: -0.098
local terms energy: -64.620650
where:
bonds (distance) C4'-P energy: -13.263
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -14.256
flat angles P-C4'-P energy: -5.461
tors. eta vs tors. theta energy: -17.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -171.836958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.836958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.836958 (E_RNA)
where:
Base-Base interactions energy: -115.058
where: short stacking energy: -45.231
Base-Backbone interact. energy: -0.003
local terms energy: -56.776634
where:
bonds (distance) C4'-P energy: -10.464
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -8.693
flat angles P-C4'-P energy: -8.836
tors. eta vs tors. theta energy: -16.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -137.741554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.741554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.741554 (E_RNA)
where:
Base-Base interactions energy: -87.118
where: short stacking energy: -35.923
Base-Backbone interact. energy: -0.376
local terms energy: -50.247288
where:
bonds (distance) C4'-P energy: -9.644
bonds (distance) P-C4' energy: -15.045
flat angles C4'-P-C4' energy: -14.485
flat angles P-C4'-P energy: -6.663
tors. eta vs tors. theta energy: -4.411
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: 6
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -77.487250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.487250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.487250 (E_RNA)
where:
Base-Base interactions energy: -33.208
where: short stacking energy: -18.140
Base-Backbone interact. energy: -0.109
local terms energy: -44.170222
where:
bonds (distance) C4'-P energy: -11.661
bonds (distance) P-C4' energy: -15.125
flat angles C4'-P-C4' energy: -10.510
flat angles P-C4'-P energy: -4.807
tors. eta vs tors. theta energy: -2.067
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: 9
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -99.435953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.435953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.435953 (E_RNA)
where:
Base-Base interactions energy: -54.035
where: short stacking energy: -21.601
Base-Backbone interact. energy: -0.011
local terms energy: -45.389425
where:
bonds (distance) C4'-P energy: -12.299
bonds (distance) P-C4' energy: -12.932
flat angles C4'-P-C4' energy: -9.055
flat angles P-C4'-P energy: -7.570
tors. eta vs tors. theta energy: -3.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -62.047415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.047415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.047415 (E_RNA)
where:
Base-Base interactions energy: -28.425
where: short stacking energy: -15.057
Base-Backbone interact. energy: -0.421
local terms energy: -33.201679
where:
bonds (distance) C4'-P energy: -9.181
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: -13.762
flat angles P-C4'-P energy: -4.153
tors. eta vs tors. theta energy: 7.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -65.440875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.440875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.440875 (E_RNA)
where:
Base-Base interactions energy: -27.978
where: short stacking energy: -22.431
Base-Backbone interact. energy: -0.379
local terms energy: -37.084520
where:
bonds (distance) C4'-P energy: -12.614
bonds (distance) P-C4' energy: -13.007
flat angles C4'-P-C4' energy: -4.784
flat angles P-C4'-P energy: -6.054
tors. eta vs tors. theta energy: -0.625
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: 10
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -59.037300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.037300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.037300 (E_RNA)
where:
Base-Base interactions energy: -16.344
where: short stacking energy: -16.344
Base-Backbone interact. energy: -0.102
local terms energy: -42.591363
where:
bonds (distance) C4'-P energy: -11.098
bonds (distance) P-C4' energy: -6.669
flat angles C4'-P-C4' energy: -12.584
flat angles P-C4'-P energy: -7.024
tors. eta vs tors. theta energy: -5.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -176.164245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.164245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.164245 (E_RNA)
where:
Base-Base interactions energy: -121.308
where: short stacking energy: -43.576
Base-Backbone interact. energy: -0.226
local terms energy: -54.629979
where:
bonds (distance) C4'-P energy: -9.753
bonds (distance) P-C4' energy: -14.554
flat angles C4'-P-C4' energy: -11.909
flat angles P-C4'-P energy: -4.548
tors. eta vs tors. theta energy: -13.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -179.593260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.593260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.593260 (E_RNA)
where:
Base-Base interactions energy: -115.424
where: short stacking energy: -47.622
Base-Backbone interact. energy: -0.006
local terms energy: -64.163498
where:
bonds (distance) C4'-P energy: -10.780
bonds (distance) P-C4' energy: -13.744
flat angles C4'-P-C4' energy: -13.459
flat angles P-C4'-P energy: -10.621
tors. eta vs tors. theta energy: -15.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -178.210365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.210365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.210365 (E_RNA)
where:
Base-Base interactions energy: -109.337
where: short stacking energy: -42.343
Base-Backbone interact. energy: -0.059
local terms energy: -68.814151
where:
bonds (distance) C4'-P energy: -13.806
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -13.562
flat angles P-C4'-P energy: -9.862
tors. eta vs tors. theta energy: -17.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -174.844422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.844422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.844422 (E_RNA)
where:
Base-Base interactions energy: -113.931
where: short stacking energy: -49.304
Base-Backbone interact. energy: 0.832
local terms energy: -61.746228
where:
bonds (distance) C4'-P energy: -8.807
bonds (distance) P-C4' energy: -13.687
flat angles C4'-P-C4' energy: -14.493
flat angles P-C4'-P energy: -9.309
tors. eta vs tors. theta energy: -15.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -123.375180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.375180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.375180 (E_RNA)
where:
Base-Base interactions energy: -65.487
where: short stacking energy: -25.266
Base-Backbone interact. energy: -1.228
local terms energy: -56.660086
where:
bonds (distance) C4'-P energy: -12.646
bonds (distance) P-C4' energy: -15.556
flat angles C4'-P-C4' energy: -12.491
flat angles P-C4'-P energy: -9.457
tors. eta vs tors. theta energy: -6.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -81.795571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.795571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.795571 (E_RNA)
where:
Base-Base interactions energy: -40.974
where: short stacking energy: -19.628
Base-Backbone interact. energy: -0.214
local terms energy: -40.608034
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -11.941
flat angles C4'-P-C4' energy: -9.445
flat angles P-C4'-P energy: -4.062
tors. eta vs tors. theta energy: -1.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -94.448589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.448589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.448589 (E_RNA)
where:
Base-Base interactions energy: -64.752
where: short stacking energy: -29.365
Base-Backbone interact. energy: -0.481
local terms energy: -29.215277
where:
bonds (distance) C4'-P energy: -10.299
bonds (distance) P-C4' energy: -2.815
flat angles C4'-P-C4' energy: -11.241
flat angles P-C4'-P energy: -0.606
tors. eta vs tors. theta energy: -4.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -60.130596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.130596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.130596 (E_RNA)
where:
Base-Base interactions energy: -21.376
where: short stacking energy: -14.984
Base-Backbone interact. energy: 0.776
local terms energy: -39.531447
where:
bonds (distance) C4'-P energy: -12.821
bonds (distance) P-C4' energy: -9.874
flat angles C4'-P-C4' energy: -13.706
flat angles P-C4'-P energy: -3.592
tors. eta vs tors. theta energy: 0.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -70.557781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.557781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.557781 (E_RNA)
where:
Base-Base interactions energy: -18.426
where: short stacking energy: -18.426
Base-Backbone interact. energy: -2.156
local terms energy: -49.976320
where:
bonds (distance) C4'-P energy: -12.974
bonds (distance) P-C4' energy: -13.898
flat angles C4'-P-C4' energy: -8.372
flat angles P-C4'-P energy: -9.194
tors. eta vs tors. theta energy: -5.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -54.696688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.696688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.696688 (E_RNA)
where:
Base-Base interactions energy: -11.945
where: short stacking energy: -11.945
Base-Backbone interact. energy: -0.008
local terms energy: -42.743446
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -10.346
flat angles C4'-P-C4' energy: -9.916
flat angles P-C4'-P energy: -7.380
tors. eta vs tors. theta energy: -1.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -187.520047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.520047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.520047 (E_RNA)
where:
Base-Base interactions energy: -120.454
where: short stacking energy: -50.299
Base-Backbone interact. energy: 0.481
local terms energy: -67.547388
where:
bonds (distance) C4'-P energy: -12.385
bonds (distance) P-C4' energy: -14.876
flat angles C4'-P-C4' energy: -13.928
flat angles P-C4'-P energy: -10.311
tors. eta vs tors. theta energy: -16.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -175.936589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.936589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.936589 (E_RNA)
where:
Base-Base interactions energy: -118.998
where: short stacking energy: -40.955
Base-Backbone interact. energy: -0.640
local terms energy: -56.298871
where:
bonds (distance) C4'-P energy: -11.943
bonds (distance) P-C4' energy: -9.312
flat angles C4'-P-C4' energy: -11.403
flat angles P-C4'-P energy: -7.594
tors. eta vs tors. theta energy: -16.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -182.680091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.680091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.680091 (E_RNA)
where:
Base-Base interactions energy: -121.820
where: short stacking energy: -47.688
Base-Backbone interact. energy: -0.417
local terms energy: -60.443040
where:
bonds (distance) C4'-P energy: -11.125
bonds (distance) P-C4' energy: -12.430
flat angles C4'-P-C4' energy: -13.718
flat angles P-C4'-P energy: -8.120
tors. eta vs tors. theta energy: -15.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -173.218167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.218167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.218167 (E_RNA)
where:
Base-Base interactions energy: -111.056
where: short stacking energy: -40.297
Base-Backbone interact. energy: -0.137
local terms energy: -62.024608
where:
bonds (distance) C4'-P energy: -12.014
bonds (distance) P-C4' energy: -12.913
flat angles C4'-P-C4' energy: -12.832
flat angles P-C4'-P energy: -10.234
tors. eta vs tors. theta energy: -14.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -145.109878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.109878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.109878 (E_RNA)
where:
Base-Base interactions energy: -100.110
where: short stacking energy: -30.524
Base-Backbone interact. energy: -0.111
local terms energy: -44.889008
where:
bonds (distance) C4'-P energy: -11.687
bonds (distance) P-C4' energy: -10.478
flat angles C4'-P-C4' energy: -11.790
flat angles P-C4'-P energy: -6.140
tors. eta vs tors. theta energy: -4.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -73.336366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.336366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.336366 (E_RNA)
where:
Base-Base interactions energy: -35.644
where: short stacking energy: -21.917
Base-Backbone interact. energy: -0.053
local terms energy: -37.639483
where:
bonds (distance) C4'-P energy: -6.437
bonds (distance) P-C4' energy: -13.117
flat angles C4'-P-C4' energy: -9.501
flat angles P-C4'-P energy: -6.150
tors. eta vs tors. theta energy: -2.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -62.384804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.384804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.384804 (E_RNA)
where:
Base-Base interactions energy: -25.701
where: short stacking energy: -10.866
Base-Backbone interact. energy: -0.165
local terms energy: -36.518744
where:
bonds (distance) C4'-P energy: -11.824
bonds (distance) P-C4' energy: -10.663
flat angles C4'-P-C4' energy: -8.679
flat angles P-C4'-P energy: -8.235
tors. eta vs tors. theta energy: 2.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -62.859156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.859156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.859156 (E_RNA)
where:
Base-Base interactions energy: -18.851
where: short stacking energy: -18.851
Base-Backbone interact. energy: -0.004
local terms energy: -44.004109
where:
bonds (distance) C4'-P energy: -10.345
bonds (distance) P-C4' energy: -14.389
flat angles C4'-P-C4' energy: -11.319
flat angles P-C4'-P energy: -7.476
tors. eta vs tors. theta energy: -0.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -64.352759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.352759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.352759 (E_RNA)
where:
Base-Base interactions energy: -18.173
where: short stacking energy: -15.492
Base-Backbone interact. energy: -0.521
local terms energy: -45.658366
where:
bonds (distance) C4'-P energy: -11.694
bonds (distance) P-C4' energy: -8.006
flat angles C4'-P-C4' energy: -9.523
flat angles P-C4'-P energy: -7.060
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: 10, replica: 4
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -63.845854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.845854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.845854 (E_RNA)
where:
Base-Base interactions energy: -29.659
where: short stacking energy: -16.672
Base-Backbone interact. energy: 0.620
local terms energy: -34.807419
where:
bonds (distance) C4'-P energy: -6.117
bonds (distance) P-C4' energy: -12.083
flat angles C4'-P-C4' energy: -11.316
flat angles P-C4'-P energy: -4.445
tors. eta vs tors. theta energy: -0.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -179.153073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.153073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.153073 (E_RNA)
where:
Base-Base interactions energy: -115.707
where: short stacking energy: -41.055
Base-Backbone interact. energy: -0.010
local terms energy: -63.435864
where:
bonds (distance) C4'-P energy: -13.429
bonds (distance) P-C4' energy: -13.113
flat angles C4'-P-C4' energy: -12.527
flat angles P-C4'-P energy: -9.738
tors. eta vs tors. theta energy: -14.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -181.180707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.180707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.180707 (E_RNA)
where:
Base-Base interactions energy: -116.082
where: short stacking energy: -42.726
Base-Backbone interact. energy: -0.151
local terms energy: -64.947775
where:
bonds (distance) C4'-P energy: -12.829
bonds (distance) P-C4' energy: -13.895
flat angles C4'-P-C4' energy: -13.935
flat angles P-C4'-P energy: -5.850
tors. eta vs tors. theta energy: -18.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -179.720009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.720009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.720009 (E_RNA)
where:
Base-Base interactions energy: -118.277
where: short stacking energy: -49.484
Base-Backbone interact. energy: -0.008
local terms energy: -61.434980
where:
bonds (distance) C4'-P energy: -13.015
bonds (distance) P-C4' energy: -13.380
flat angles C4'-P-C4' energy: -14.034
flat angles P-C4'-P energy: -5.758
tors. eta vs tors. theta energy: -15.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -165.383431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.383431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.383431 (E_RNA)
where:
Base-Base interactions energy: -106.922
where: short stacking energy: -43.236
Base-Backbone interact. energy: -0.061
local terms energy: -58.400565
where:
bonds (distance) C4'-P energy: -11.570
bonds (distance) P-C4' energy: -13.687
flat angles C4'-P-C4' energy: -10.721
flat angles P-C4'-P energy: -6.984
tors. eta vs tors. theta energy: -15.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -133.301842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.301842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.301842 (E_RNA)
where:
Base-Base interactions energy: -82.743
where: short stacking energy: -28.641
Base-Backbone interact. energy: -0.261
local terms energy: -50.298166
where:
bonds (distance) C4'-P energy: -10.895
bonds (distance) P-C4' energy: -11.933
flat angles C4'-P-C4' energy: -12.924
flat angles P-C4'-P energy: -6.037
tors. eta vs tors. theta energy: -8.509
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: 6, replica: 6
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -71.320762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.320762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.320762 (E_RNA)
where:
Base-Base interactions energy: -36.452
where: short stacking energy: -16.706
Base-Backbone interact. energy: -0.134
local terms energy: -34.734037
where:
bonds (distance) C4'-P energy: -7.926
bonds (distance) P-C4' energy: -13.215
flat angles C4'-P-C4' energy: -5.357
flat angles P-C4'-P energy: -7.165
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: 7, replica: 9
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -72.121067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.121067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.121067 (E_RNA)
where:
Base-Base interactions energy: -28.385
where: short stacking energy: -24.673
Base-Backbone interact. energy: -0.025
local terms energy: -43.711652
where:
bonds (distance) C4'-P energy: -11.458
bonds (distance) P-C4' energy: -13.830
flat angles C4'-P-C4' energy: -10.198
flat angles P-C4'-P energy: -4.236
tors. eta vs tors. theta energy: -3.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -68.417965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.417965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.417965 (E_RNA)
where:
Base-Base interactions energy: -22.510
where: short stacking energy: -22.510
Base-Backbone interact. energy: -0.370
local terms energy: -45.538737
where:
bonds (distance) C4'-P energy: -12.896
bonds (distance) P-C4' energy: -12.307
flat angles C4'-P-C4' energy: -9.235
flat angles P-C4'-P energy: -5.991
tors. eta vs tors. theta energy: -5.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -62.204966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.204966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.204966 (E_RNA)
where:
Base-Base interactions energy: -25.230
where: short stacking energy: -17.164
Base-Backbone interact. energy: -0.528
local terms energy: -36.446865
where:
bonds (distance) C4'-P energy: -8.349
bonds (distance) P-C4' energy: -12.448
flat angles C4'-P-C4' energy: -12.054
flat angles P-C4'-P energy: -4.364
tors. eta vs tors. theta energy: 0.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -58.318058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.318058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.318058 (E_RNA)
where:
Base-Base interactions energy: -26.592
where: short stacking energy: -14.025
Base-Backbone interact. energy: 0.582
local terms energy: -32.308117
where:
bonds (distance) C4'-P energy: -12.662
bonds (distance) P-C4' energy: -6.737
flat angles C4'-P-C4' energy: -10.278
flat angles P-C4'-P energy: -5.223
tors. eta vs tors. theta energy: 2.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -179.550571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.550571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.550571 (E_RNA)
where:
Base-Base interactions energy: -113.951
where: short stacking energy: -49.105
Base-Backbone interact. energy: -1.181
local terms energy: -64.418096
where:
bonds (distance) C4'-P energy: -11.517
bonds (distance) P-C4' energy: -12.167
flat angles C4'-P-C4' energy: -13.429
flat angles P-C4'-P energy: -10.490
tors. eta vs tors. theta energy: -16.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -178.897877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.897877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.897877 (E_RNA)
where:
Base-Base interactions energy: -115.108
where: short stacking energy: -47.469
Base-Backbone interact. energy: -0.004
local terms energy: -63.786121
where:
bonds (distance) C4'-P energy: -12.721
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -14.186
flat angles P-C4'-P energy: -9.024
tors. eta vs tors. theta energy: -14.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -171.738287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.738287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.738287 (E_RNA)
where:
Base-Base interactions energy: -109.329
where: short stacking energy: -43.949
Base-Backbone interact. energy: -0.858
local terms energy: -61.551389
where:
bonds (distance) C4'-P energy: -11.016
bonds (distance) P-C4' energy: -12.652
flat angles C4'-P-C4' energy: -11.071
flat angles P-C4'-P energy: -9.605
tors. eta vs tors. theta energy: -17.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -144.576717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.576717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.576717 (E_RNA)
where:
Base-Base interactions energy: -97.667
where: short stacking energy: -32.022
Base-Backbone interact. energy: 0.028
local terms energy: -46.937391
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -11.527
flat angles C4'-P-C4' energy: -7.787
flat angles P-C4'-P energy: -5.339
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: 5, replica: 3
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -130.061466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.061466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.061466 (E_RNA)
where:
Base-Base interactions energy: -79.409
where: short stacking energy: -19.780
Base-Backbone interact. energy: -0.284
local terms energy: -50.368368
where:
bonds (distance) C4'-P energy: -11.093
bonds (distance) P-C4' energy: -14.364
flat angles C4'-P-C4' energy: -11.922
flat angles P-C4'-P energy: -4.928
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: 6
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -75.191016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.191016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.191016 (E_RNA)
where:
Base-Base interactions energy: -33.486
where: short stacking energy: -23.993
Base-Backbone interact. energy: 0.261
local terms energy: -41.966419
where:
bonds (distance) C4'-P energy: -13.984
bonds (distance) P-C4' energy: -12.493
flat angles C4'-P-C4' energy: -5.698
flat angles P-C4'-P energy: -5.301
tors. eta vs tors. theta energy: -4.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -68.018238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.018238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.018238 (E_RNA)
where:
Base-Base interactions energy: -29.176
where: short stacking energy: -16.392
Base-Backbone interact. energy: -0.147
local terms energy: -38.694769
where:
bonds (distance) C4'-P energy: -10.792
bonds (distance) P-C4' energy: -9.334
flat angles C4'-P-C4' energy: -9.947
flat angles P-C4'-P energy: -6.984
tors. eta vs tors. theta energy: -1.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -79.103640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.103640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.103640 (E_RNA)
where:
Base-Base interactions energy: -38.829
where: short stacking energy: -10.550
Base-Backbone interact. energy: -0.046
local terms energy: -40.229363
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -11.522
flat angles C4'-P-C4' energy: -11.369
flat angles P-C4'-P energy: -4.054
tors. eta vs tors. theta energy: 0.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -62.995771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.995771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.995771 (E_RNA)
where:
Base-Base interactions energy: -24.367
where: short stacking energy: -14.308
Base-Backbone interact. energy: -0.105
local terms energy: -38.523260
where:
bonds (distance) C4'-P energy: -13.586
bonds (distance) P-C4' energy: -11.463
flat angles C4'-P-C4' energy: -6.942
flat angles P-C4'-P energy: -8.031
tors. eta vs tors. theta energy: 1.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -55.221765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.221765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.221765 (E_RNA)
where:
Base-Base interactions energy: -12.917
where: short stacking energy: -12.216
Base-Backbone interact. energy: -0.105
local terms energy: -42.199882
where:
bonds (distance) C4'-P energy: -11.297
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -11.432
flat angles P-C4'-P energy: -5.544
tors. eta vs tors. theta energy: 0.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -182.457100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.457100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.457100 (E_RNA)
where:
Base-Base interactions energy: -119.536
where: short stacking energy: -50.424
Base-Backbone interact. energy: -0.009
local terms energy: -62.911331
where:
bonds (distance) C4'-P energy: -10.833
bonds (distance) P-C4' energy: -11.827
flat angles C4'-P-C4' energy: -13.713
flat angles P-C4'-P energy: -10.737
tors. eta vs tors. theta energy: -15.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -174.608398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.608398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.608398 (E_RNA)
where:
Base-Base interactions energy: -114.396
where: short stacking energy: -45.519
Base-Backbone interact. energy: -0.329
local terms energy: -59.882510
where:
bonds (distance) C4'-P energy: -12.635
bonds (distance) P-C4' energy: -12.143
flat angles C4'-P-C4' energy: -11.939
flat angles P-C4'-P energy: -7.852
tors. eta vs tors. theta energy: -15.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -180.431969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.431969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.431969 (E_RNA)
where:
Base-Base interactions energy: -114.374
where: short stacking energy: -49.222
Base-Backbone interact. energy: -0.170
local terms energy: -65.888424
where:
bonds (distance) C4'-P energy: -14.046
bonds (distance) P-C4' energy: -11.238
flat angles C4'-P-C4' energy: -14.300
flat angles P-C4'-P energy: -9.675
tors. eta vs tors. theta energy: -16.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -140.506418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.506418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.506418 (E_RNA)
where:
Base-Base interactions energy: -87.940
where: short stacking energy: -31.489
Base-Backbone interact. energy: -0.014
local terms energy: -52.552569
where:
bonds (distance) C4'-P energy: -9.591
bonds (distance) P-C4' energy: -13.408
flat angles C4'-P-C4' energy: -11.322
flat angles P-C4'-P energy: -7.902
tors. eta vs tors. theta energy: -10.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -110.776407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.776407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.776407 (E_RNA)
where:
Base-Base interactions energy: -65.111
where: short stacking energy: -25.022
Base-Backbone interact. energy: 0.442
local terms energy: -46.107879
where:
bonds (distance) C4'-P energy: -11.047
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -11.171
flat angles P-C4'-P energy: -1.616
tors. eta vs tors. theta energy: -7.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -70.250371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.250371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.250371 (E_RNA)
where:
Base-Base interactions energy: -32.498
where: short stacking energy: -17.062
Base-Backbone interact. energy: -0.298
local terms energy: -37.453976
where:
bonds (distance) C4'-P energy: -9.071
bonds (distance) P-C4' energy: -11.070
flat angles C4'-P-C4' energy: -9.312
flat angles P-C4'-P energy: -5.695
tors. eta vs tors. theta energy: -2.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -62.871823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.871823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.871823 (E_RNA)
where:
Base-Base interactions energy: -21.256
where: short stacking energy: -11.298
Base-Backbone interact. energy: -0.195
local terms energy: -41.420772
where:
bonds (distance) C4'-P energy: -14.477
bonds (distance) P-C4' energy: -10.992
flat angles C4'-P-C4' energy: -9.731
flat angles P-C4'-P energy: -6.227
tors. eta vs tors. theta energy: 0.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -59.599335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.599335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.599335 (E_RNA)
where:
Base-Base interactions energy: -26.614
where: short stacking energy: -24.555
Base-Backbone interact. energy: -0.083
local terms energy: -32.902297
where:
bonds (distance) C4'-P energy: -10.999
bonds (distance) P-C4' energy: -11.133
flat angles C4'-P-C4' energy: -4.398
flat angles P-C4'-P energy: -4.020
tors. eta vs tors. theta energy: -2.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -70.150562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.150562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.150562 (E_RNA)
where:
Base-Base interactions energy: -38.878
where: short stacking energy: -15.815
Base-Backbone interact. energy: -0.213
local terms energy: -31.058994
where:
bonds (distance) C4'-P energy: -6.577
bonds (distance) P-C4' energy: -13.887
flat angles C4'-P-C4' energy: -7.882
flat angles P-C4'-P energy: -4.841
tors. eta vs tors. theta energy: 2.128
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: 5
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -64.699465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.699465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.699465 (E_RNA)
where:
Base-Base interactions energy: -14.289
where: short stacking energy: -11.025
Base-Backbone interact. energy: -0.216
local terms energy: -50.193995
where:
bonds (distance) C4'-P energy: -12.713
bonds (distance) P-C4' energy: -12.380
flat angles C4'-P-C4' energy: -15.065
flat angles P-C4'-P energy: -7.826
tors. eta vs tors. theta energy: -2.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -178.407103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.407103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.407103 (E_RNA)
where:
Base-Base interactions energy: -115.508
where: short stacking energy: -47.348
Base-Backbone interact. energy: -0.159
local terms energy: -62.740908
where:
bonds (distance) C4'-P energy: -13.185
bonds (distance) P-C4' energy: -12.193
flat angles C4'-P-C4' energy: -13.775
flat angles P-C4'-P energy: -9.039
tors. eta vs tors. theta energy: -14.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -180.610543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.610543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.610543 (E_RNA)
where:
Base-Base interactions energy: -115.373
where: short stacking energy: -49.909
Base-Backbone interact. energy: -0.157
local terms energy: -65.080843
where:
bonds (distance) C4'-P energy: -13.209
bonds (distance) P-C4' energy: -14.294
flat angles C4'-P-C4' energy: -12.224
flat angles P-C4'-P energy: -9.977
tors. eta vs tors. theta energy: -15.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -173.455222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.455222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.455222 (E_RNA)
where:
Base-Base interactions energy: -108.375
where: short stacking energy: -43.085
Base-Backbone interact. energy: -0.004
local terms energy: -65.076501
where:
bonds (distance) C4'-P energy: -13.752
bonds (distance) P-C4' energy: -12.849
flat angles C4'-P-C4' energy: -14.873
flat angles P-C4'-P energy: -5.848
tors. eta vs tors. theta energy: -17.755
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: 4, replica: 2
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -157.485143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.485143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.485143 (E_RNA)
where:
Base-Base interactions energy: -93.849
where: short stacking energy: -30.047
Base-Backbone interact. energy: -0.810
local terms energy: -62.826362
where:
bonds (distance) C4'-P energy: -13.503
bonds (distance) P-C4' energy: -14.407
flat angles C4'-P-C4' energy: -12.188
flat angles P-C4'-P energy: -9.552
tors. eta vs tors. theta energy: -13.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -79.017169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.017169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.017169 (E_RNA)
where:
Base-Base interactions energy: -40.160
where: short stacking energy: -29.971
Base-Backbone interact. energy: -1.255
local terms energy: -37.602722
where:
bonds (distance) C4'-P energy: -10.949
bonds (distance) P-C4' energy: -8.970
flat angles C4'-P-C4' energy: -5.594
flat angles P-C4'-P energy: -5.564
tors. eta vs tors. theta energy: -6.526
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: 3
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -71.376223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.376223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.376223 (E_RNA)
where:
Base-Base interactions energy: -28.560
where: short stacking energy: -15.801
Base-Backbone interact. energy: 0.251
local terms energy: -43.066632
where:
bonds (distance) C4'-P energy: -11.035
bonds (distance) P-C4' energy: -12.237
flat angles C4'-P-C4' energy: -11.581
flat angles P-C4'-P energy: -8.078
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: 7, replica: 4
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -78.214017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.214017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.214017 (E_RNA)
where:
Base-Base interactions energy: -32.472
where: short stacking energy: -17.806
Base-Backbone interact. energy: -0.147
local terms energy: -45.594779
where:
bonds (distance) C4'-P energy: -12.903
bonds (distance) P-C4' energy: -13.035
flat angles C4'-P-C4' energy: -11.849
flat angles P-C4'-P energy: -7.267
tors. eta vs tors. theta energy: -0.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -65.940922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.940922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.940922 (E_RNA)
where:
Base-Base interactions energy: -27.959
where: short stacking energy: -19.054
Base-Backbone interact. energy: -0.011
local terms energy: -37.970707
where:
bonds (distance) C4'-P energy: -7.952
bonds (distance) P-C4' energy: -9.331
flat angles C4'-P-C4' energy: -11.311
flat angles P-C4'-P energy: -8.676
tors. eta vs tors. theta energy: -0.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -61.825734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.825734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.825734 (E_RNA)
where:
Base-Base interactions energy: -19.768
where: short stacking energy: -13.862
Base-Backbone interact. energy: 0.200
local terms energy: -42.257113
where:
bonds (distance) C4'-P energy: -12.775
bonds (distance) P-C4' energy: -12.327
flat angles C4'-P-C4' energy: -6.151
flat angles P-C4'-P energy: -6.219
tors. eta vs tors. theta energy: -4.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -63.900939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.900939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.900939 (E_RNA)
where:
Base-Base interactions energy: -27.176
where: short stacking energy: -16.038
Base-Backbone interact. energy: -0.291
local terms energy: -36.434865
where:
bonds (distance) C4'-P energy: -13.694
bonds (distance) P-C4' energy: -11.458
flat angles C4'-P-C4' energy: -4.659
flat angles P-C4'-P energy: -4.792
tors. eta vs tors. theta energy: -1.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -187.117315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.117315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.117315 (E_RNA)
where:
Base-Base interactions energy: -117.065
where: short stacking energy: -49.770
Base-Backbone interact. energy: -0.023
local terms energy: -70.029796
where:
bonds (distance) C4'-P energy: -14.841
bonds (distance) P-C4' energy: -15.104
flat angles C4'-P-C4' energy: -13.404
flat angles P-C4'-P energy: -8.461
tors. eta vs tors. theta energy: -18.221
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: 7
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -181.716422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.716422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.716422 (E_RNA)
where:
Base-Base interactions energy: -118.637
where: short stacking energy: -44.921
Base-Backbone interact. energy: -0.087
local terms energy: -62.992775
where:
bonds (distance) C4'-P energy: -12.030
bonds (distance) P-C4' energy: -12.910
flat angles C4'-P-C4' energy: -12.923
flat angles P-C4'-P energy: -7.722
tors. eta vs tors. theta energy: -17.407
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: 461
Temperature: 1.000000
Total energy: -172.735242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.735242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.735242 (E_RNA)
where:
Base-Base interactions energy: -108.734
where: short stacking energy: -44.166
Base-Backbone interact. energy: -0.004
local terms energy: -63.996780
where:
bonds (distance) C4'-P energy: -11.313
bonds (distance) P-C4' energy: -14.671
flat angles C4'-P-C4' energy: -15.136
flat angles P-C4'-P energy: -5.907
tors. eta vs tors. theta energy: -16.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -169.494689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.494689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.494689 (E_RNA)
where:
Base-Base interactions energy: -109.838
where: short stacking energy: -43.456
Base-Backbone interact. energy: -0.296
local terms energy: -59.361222
where:
bonds (distance) C4'-P energy: -12.944
bonds (distance) P-C4' energy: -11.840
flat angles C4'-P-C4' energy: -13.740
flat angles P-C4'-P energy: -5.241
tors. eta vs tors. theta energy: -15.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -68.941829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.941829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.941829 (E_RNA)
where:
Base-Base interactions energy: -25.732
where: short stacking energy: -17.465
Base-Backbone interact. energy: -0.206
local terms energy: -43.004363
where:
bonds (distance) C4'-P energy: -11.273
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -14.251
flat angles P-C4'-P energy: -6.061
tors. eta vs tors. theta energy: 2.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -84.636395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.636395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.636395 (E_RNA)
where:
Base-Base interactions energy: -36.937
where: short stacking energy: -24.918
Base-Backbone interact. energy: -0.281
local terms energy: -47.418559
where:
bonds (distance) C4'-P energy: -10.950
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -11.446
flat angles P-C4'-P energy: -8.405
tors. eta vs tors. theta energy: -3.308
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: 461
Temperature: 1.200000
Total energy: -83.540244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.540244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.540244 (E_RNA)
where:
Base-Base interactions energy: -46.905
where: short stacking energy: -20.852
Base-Backbone interact. energy: -0.052
local terms energy: -36.582844
where:
bonds (distance) C4'-P energy: -9.581
bonds (distance) P-C4' energy: -8.080
flat angles C4'-P-C4' energy: -8.747
flat angles P-C4'-P energy: -5.674
tors. eta vs tors. theta energy: -4.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -59.962649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.962649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.962649 (E_RNA)
where:
Base-Base interactions energy: -12.594
where: short stacking energy: -10.550
Base-Backbone interact. energy: -0.310
local terms energy: -47.058482
where:
bonds (distance) C4'-P energy: -12.866
bonds (distance) P-C4' energy: -13.051
flat angles C4'-P-C4' energy: -12.040
flat angles P-C4'-P energy: -8.502
tors. eta vs tors. theta energy: -0.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -65.959628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.959628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.959628 (E_RNA)
where:
Base-Base interactions energy: -22.277
where: short stacking energy: -15.713
Base-Backbone interact. energy: -0.061
local terms energy: -43.621021
where:
bonds (distance) C4'-P energy: -12.190
bonds (distance) P-C4' energy: -10.567
flat angles C4'-P-C4' energy: -13.140
flat angles P-C4'-P energy: -6.224
tors. eta vs tors. theta energy: -1.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -55.169245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.169245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.169245 (E_RNA)
where:
Base-Base interactions energy: -15.805
where: short stacking energy: -7.498
Base-Backbone interact. energy: -1.392
local terms energy: -37.972144
where:
bonds (distance) C4'-P energy: -12.981
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -5.838
flat angles P-C4'-P energy: -8.471
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: 1, replica: 7
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -184.389073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.389073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.389073 (E_RNA)
where:
Base-Base interactions energy: -121.335
where: short stacking energy: -37.542
Base-Backbone interact. energy: -0.106
local terms energy: -62.948198
where:
bonds (distance) C4'-P energy: -11.864
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -13.703
flat angles P-C4'-P energy: -9.695
tors. eta vs tors. theta energy: -13.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -175.088095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.088095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.088095 (E_RNA)
where:
Base-Base interactions energy: -116.001
where: short stacking energy: -46.755
Base-Backbone interact. energy: 0.181
local terms energy: -59.268703
where:
bonds (distance) C4'-P energy: -12.962
bonds (distance) P-C4' energy: -12.412
flat angles C4'-P-C4' energy: -11.836
flat angles P-C4'-P energy: -7.074
tors. eta vs tors. theta energy: -14.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -173.326967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.326967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.326967 (E_RNA)
where:
Base-Base interactions energy: -110.962
where: short stacking energy: -44.077
Base-Backbone interact. energy: -0.000
local terms energy: -62.364628
where:
bonds (distance) C4'-P energy: -11.475
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -13.165
flat angles P-C4'-P energy: -7.474
tors. eta vs tors. theta energy: -16.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -167.678806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.678806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.678806 (E_RNA)
where:
Base-Base interactions energy: -104.482
where: short stacking energy: -42.347
Base-Backbone interact. energy: -0.001
local terms energy: -63.195581
where:
bonds (distance) C4'-P energy: -12.322
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -12.181
flat angles P-C4'-P energy: -9.583
tors. eta vs tors. theta energy: -15.158
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: 5, replica: 4
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -88.406613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.406613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.406613 (E_RNA)
where:
Base-Base interactions energy: -43.070
where: short stacking energy: -4.636
Base-Backbone interact. energy: -0.345
local terms energy: -44.991395
where:
bonds (distance) C4'-P energy: -12.679
bonds (distance) P-C4' energy: -10.932
flat angles C4'-P-C4' energy: -10.156
flat angles P-C4'-P energy: -10.514
tors. eta vs tors. theta energy: -0.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -77.818955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.818955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.818955 (E_RNA)
where:
Base-Base interactions energy: -29.208
where: short stacking energy: -21.000
Base-Backbone interact. energy: -0.005
local terms energy: -48.606193
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -10.883
flat angles C4'-P-C4' energy: -13.383
flat angles P-C4'-P energy: -5.557
tors. eta vs tors. theta energy: -4.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -70.791358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.791358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.791358 (E_RNA)
where:
Base-Base interactions energy: -34.214
where: short stacking energy: -10.640
Base-Backbone interact. energy: -0.288
local terms energy: -36.289417
where:
bonds (distance) C4'-P energy: -11.641
bonds (distance) P-C4' energy: -12.892
flat angles C4'-P-C4' energy: -9.139
flat angles P-C4'-P energy: -3.716
tors. eta vs tors. theta energy: 1.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -72.193656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.193656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.193656 (E_RNA)
where:
Base-Base interactions energy: -23.088
where: short stacking energy: -15.215
Base-Backbone interact. energy: 0.866
local terms energy: -49.972008
where:
bonds (distance) C4'-P energy: -12.386
bonds (distance) P-C4' energy: -12.722
flat angles C4'-P-C4' energy: -8.090
flat angles P-C4'-P energy: -10.244
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: 9, replica: 6
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -63.349770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.349770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.349770 (E_RNA)
where:
Base-Base interactions energy: -19.093
where: short stacking energy: -19.093
Base-Backbone interact. energy: -0.154
local terms energy: -44.102411
where:
bonds (distance) C4'-P energy: -13.346
bonds (distance) P-C4' energy: -11.021
flat angles C4'-P-C4' energy: -10.442
flat angles P-C4'-P energy: -3.519
tors. eta vs tors. theta energy: -5.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -58.275840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.275840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.275840 (E_RNA)
where:
Base-Base interactions energy: -17.283
where: short stacking energy: -17.283
Base-Backbone interact. energy: -0.029
local terms energy: -40.964654
where:
bonds (distance) C4'-P energy: -10.681
bonds (distance) P-C4' energy: -10.897
flat angles C4'-P-C4' energy: -10.063
flat angles P-C4'-P energy: -7.818
tors. eta vs tors. theta energy: -1.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -182.968823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.968823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.968823 (E_RNA)
where:
Base-Base interactions energy: -122.526
where: short stacking energy: -43.216
Base-Backbone interact. energy: -0.031
local terms energy: -60.412474
where:
bonds (distance) C4'-P energy: -12.779
bonds (distance) P-C4' energy: -10.994
flat angles C4'-P-C4' energy: -12.729
flat angles P-C4'-P energy: -9.832
tors. eta vs tors. theta energy: -14.078
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: 1
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -181.884964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.884964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.884964 (E_RNA)
where:
Base-Base interactions energy: -117.458
where: short stacking energy: -43.893
Base-Backbone interact. energy: -0.039
local terms energy: -64.388075
where:
bonds (distance) C4'-P energy: -11.691
bonds (distance) P-C4' energy: -13.120
flat angles C4'-P-C4' energy: -11.608
flat angles P-C4'-P energy: -11.383
tors. eta vs tors. theta energy: -16.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -177.682514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.682514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.682514 (E_RNA)
where:
Base-Base interactions energy: -121.737
where: short stacking energy: -44.269
Base-Backbone interact. energy: -0.555
local terms energy: -55.390135
where:
bonds (distance) C4'-P energy: -13.674
bonds (distance) P-C4' energy: -9.466
flat angles C4'-P-C4' energy: -11.861
flat angles P-C4'-P energy: -9.044
tors. eta vs tors. theta energy: -11.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -169.977532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.977532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.977532 (E_RNA)
where:
Base-Base interactions energy: -115.091
where: short stacking energy: -46.268
Base-Backbone interact. energy: -0.008
local terms energy: -54.878392
where:
bonds (distance) C4'-P energy: -11.102
bonds (distance) P-C4' energy: -8.780
flat angles C4'-P-C4' energy: -12.123
flat angles P-C4'-P energy: -8.650
tors. eta vs tors. theta energy: -14.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -84.716716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.716716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.716716 (E_RNA)
where:
Base-Base interactions energy: -39.146
where: short stacking energy: -18.475
Base-Backbone interact. energy: -1.882
local terms energy: -43.689099
where:
bonds (distance) C4'-P energy: -11.293
bonds (distance) P-C4' energy: -11.060
flat angles C4'-P-C4' energy: -12.013
flat angles P-C4'-P energy: -4.838
tors. eta vs tors. theta energy: -4.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -75.280234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.280234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.280234 (E_RNA)
where:
Base-Base interactions energy: -30.626
where: short stacking energy: -23.083
Base-Backbone interact. energy: -0.090
local terms energy: -44.564316
where:
bonds (distance) C4'-P energy: -10.995
bonds (distance) P-C4' energy: -13.491
flat angles C4'-P-C4' energy: -10.595
flat angles P-C4'-P energy: -3.212
tors. eta vs tors. theta energy: -6.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -72.321132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.321132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.321132 (E_RNA)
where:
Base-Base interactions energy: -28.499
where: short stacking energy: -20.395
Base-Backbone interact. energy: -0.172
local terms energy: -43.650177
where:
bonds (distance) C4'-P energy: -12.759
bonds (distance) P-C4' energy: -13.015
flat angles C4'-P-C4' energy: -12.128
flat angles P-C4'-P energy: -2.838
tors. eta vs tors. theta energy: -2.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -59.374852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.374852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.374852 (E_RNA)
where:
Base-Base interactions energy: -21.734
where: short stacking energy: -17.650
Base-Backbone interact. energy: -0.237
local terms energy: -37.404474
where:
bonds (distance) C4'-P energy: -9.946
bonds (distance) P-C4' energy: -8.291
flat angles C4'-P-C4' energy: -8.456
flat angles P-C4'-P energy: -9.651
tors. eta vs tors. theta energy: -1.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -64.156607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.156607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.156607 (E_RNA)
where:
Base-Base interactions energy: -19.990
where: short stacking energy: -18.896
Base-Backbone interact. energy: -0.106
local terms energy: -44.060539
where:
bonds (distance) C4'-P energy: -7.972
bonds (distance) P-C4' energy: -12.290
flat angles C4'-P-C4' energy: -6.905
flat angles P-C4'-P energy: -8.183
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: 10, replica: 9
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -53.423726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.423726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.423726 (E_RNA)
where:
Base-Base interactions energy: -15.415
where: short stacking energy: -13.611
Base-Backbone interact. energy: 0.109
local terms energy: -38.117484
where:
bonds (distance) C4'-P energy: -13.098
bonds (distance) P-C4' energy: -9.460
flat angles C4'-P-C4' energy: -13.740
flat angles P-C4'-P energy: -7.583
tors. eta vs tors. theta energy: 5.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -181.497139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.497139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.497139 (E_RNA)
where:
Base-Base interactions energy: -117.063
where: short stacking energy: -47.317
Base-Backbone interact. energy: -0.013
local terms energy: -64.420791
where:
bonds (distance) C4'-P energy: -11.321
bonds (distance) P-C4' energy: -12.573
flat angles C4'-P-C4' energy: -13.387
flat angles P-C4'-P energy: -11.083
tors. eta vs tors. theta energy: -16.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -178.183735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.183735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.183735 (E_RNA)
where:
Base-Base interactions energy: -117.732
where: short stacking energy: -44.269
Base-Backbone interact. energy: -0.220
local terms energy: -60.231988
where:
bonds (distance) C4'-P energy: -12.368
bonds (distance) P-C4' energy: -10.341
flat angles C4'-P-C4' energy: -12.875
flat angles P-C4'-P energy: -6.433
tors. eta vs tors. theta energy: -18.215
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: 3, replica: 8
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -177.230120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.230120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.230120 (E_RNA)
where:
Base-Base interactions energy: -114.755
where: short stacking energy: -48.765
Base-Backbone interact. energy: -0.008
local terms energy: -62.467084
where:
bonds (distance) C4'-P energy: -10.494
bonds (distance) P-C4' energy: -12.141
flat angles C4'-P-C4' energy: -12.371
flat angles P-C4'-P energy: -8.725
tors. eta vs tors. theta energy: -18.735
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: 4, replica: 2
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -166.515424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.515424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.515424 (E_RNA)
where:
Base-Base interactions energy: -111.810
where: short stacking energy: -33.996
Base-Backbone interact. energy: 0.061
local terms energy: -54.765762
where:
bonds (distance) C4'-P energy: -8.481
bonds (distance) P-C4' energy: -13.988
flat angles C4'-P-C4' energy: -11.167
flat angles P-C4'-P energy: -11.214
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: 5
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -81.099809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.099809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.099809 (E_RNA)
where:
Base-Base interactions energy: -37.378
where: short stacking energy: -18.991
Base-Backbone interact. energy: -0.142
local terms energy: -43.580451
where:
bonds (distance) C4'-P energy: -11.064
bonds (distance) P-C4' energy: -11.718
flat angles C4'-P-C4' energy: -11.236
flat angles P-C4'-P energy: -6.564
tors. eta vs tors. theta energy: -2.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -83.845270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.845270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.845270 (E_RNA)
where:
Base-Base interactions energy: -39.133
where: short stacking energy: -30.540
Base-Backbone interact. energy: -0.190
local terms energy: -44.522082
where:
bonds (distance) C4'-P energy: -8.716
bonds (distance) P-C4' energy: -6.968
flat angles C4'-P-C4' energy: -11.621
flat angles P-C4'-P energy: -9.007
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: 7, replica: 10
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -78.292289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.292289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.292289 (E_RNA)
where:
Base-Base interactions energy: -39.883
where: short stacking energy: -12.161
Base-Backbone interact. energy: -0.090
local terms energy: -38.319065
where:
bonds (distance) C4'-P energy: -11.293
bonds (distance) P-C4' energy: -9.064
flat angles C4'-P-C4' energy: -11.707
flat angles P-C4'-P energy: -6.889
tors. eta vs tors. theta energy: 0.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -59.466517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.466517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.466517 (E_RNA)
where:
Base-Base interactions energy: -16.564
where: short stacking energy: -12.682
Base-Backbone interact. energy: -0.264
local terms energy: -42.637856
where:
bonds (distance) C4'-P energy: -8.721
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -10.949
flat angles P-C4'-P energy: -10.716
tors. eta vs tors. theta energy: 1.925
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: 9
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -79.936902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.936902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.936902 (E_RNA)
where:
Base-Base interactions energy: -39.247
where: short stacking energy: -18.228
Base-Backbone interact. energy: -0.093
local terms energy: -40.597442
where:
bonds (distance) C4'-P energy: -12.078
bonds (distance) P-C4' energy: -7.241
flat angles C4'-P-C4' energy: -9.905
flat angles P-C4'-P energy: -5.437
tors. eta vs tors. theta energy: -5.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -54.654788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.654788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.654788 (E_RNA)
where:
Base-Base interactions energy: -17.679
where: short stacking energy: -14.283
Base-Backbone interact. energy: -0.138
local terms energy: -36.837524
where:
bonds (distance) C4'-P energy: -8.373
bonds (distance) P-C4' energy: -11.327
flat angles C4'-P-C4' energy: -10.973
flat angles P-C4'-P energy: -7.167
tors. eta vs tors. theta energy: 1.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -184.774645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.774645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.774645 (E_RNA)
where:
Base-Base interactions energy: -122.102
where: short stacking energy: -49.242
Base-Backbone interact. energy: 0.309
local terms energy: -62.981532
where:
bonds (distance) C4'-P energy: -12.795
bonds (distance) P-C4' energy: -14.582
flat angles C4'-P-C4' energy: -13.826
flat angles P-C4'-P energy: -3.669
tors. eta vs tors. theta energy: -18.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -179.964332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.964332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.964332 (E_RNA)
where:
Base-Base interactions energy: -116.327
where: short stacking energy: -48.132
Base-Backbone interact. energy: -0.013
local terms energy: -63.624772
where:
bonds (distance) C4'-P energy: -9.935
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -13.640
flat angles P-C4'-P energy: -7.722
tors. eta vs tors. theta energy: -18.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -179.722863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.722863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.722863 (E_RNA)
where:
Base-Base interactions energy: -111.690
where: short stacking energy: -48.603
Base-Backbone interact. energy: -0.013
local terms energy: -68.019912
where:
bonds (distance) C4'-P energy: -11.053
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -13.143
flat angles P-C4'-P energy: -11.131
tors. eta vs tors. theta energy: -17.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -167.168840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.168840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.168840 (E_RNA)
where:
Base-Base interactions energy: -107.706
where: short stacking energy: -40.713
Base-Backbone interact. energy: -0.445
local terms energy: -59.017681
where:
bonds (distance) C4'-P energy: -11.781
bonds (distance) P-C4' energy: -13.634
flat angles C4'-P-C4' energy: -7.565
flat angles P-C4'-P energy: -10.828
tors. eta vs tors. theta energy: -15.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -69.858075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.858075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.858075 (E_RNA)
where:
Base-Base interactions energy: -22.943
where: short stacking energy: -14.802
Base-Backbone interact. energy: -0.377
local terms energy: -46.538956
where:
bonds (distance) C4'-P energy: -12.494
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -10.135
flat angles P-C4'-P energy: -6.557
tors. eta vs tors. theta energy: -3.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -85.090820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.090820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.090820 (E_RNA)
where:
Base-Base interactions energy: -44.250
where: short stacking energy: -15.559
Base-Backbone interact. energy: -0.272
local terms energy: -40.568054
where:
bonds (distance) C4'-P energy: -11.989
bonds (distance) P-C4' energy: -6.920
flat angles C4'-P-C4' energy: -8.751
flat angles P-C4'-P energy: -7.766
tors. eta vs tors. theta energy: -5.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -88.236015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.236015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.236015 (E_RNA)
where:
Base-Base interactions energy: -46.033
where: short stacking energy: -16.384
Base-Backbone interact. energy: -0.156
local terms energy: -42.047361
where:
bonds (distance) C4'-P energy: -13.362
bonds (distance) P-C4' energy: -6.245
flat angles C4'-P-C4' energy: -12.258
flat angles P-C4'-P energy: -6.040
tors. eta vs tors. theta energy: -4.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -72.665696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.665696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.665696 (E_RNA)
where:
Base-Base interactions energy: -27.261
where: short stacking energy: -24.054
Base-Backbone interact. energy: -0.008
local terms energy: -45.396873
where:
bonds (distance) C4'-P energy: -7.621
bonds (distance) P-C4' energy: -14.180
flat angles C4'-P-C4' energy: -13.680
flat angles P-C4'-P energy: -5.391
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: 9, replica: 6
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -63.708748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.708748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.708748 (E_RNA)
where:
Base-Base interactions energy: -14.785
where: short stacking energy: -14.885
Base-Backbone interact. energy: -0.015
local terms energy: -48.909515
where:
bonds (distance) C4'-P energy: -13.860
bonds (distance) P-C4' energy: -11.861
flat angles C4'-P-C4' energy: -13.456
flat angles P-C4'-P energy: -6.851
tors. eta vs tors. theta energy: -2.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -55.355065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.355065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.355065 (E_RNA)
where:
Base-Base interactions energy: -22.748
where: short stacking energy: -16.659
Base-Backbone interact. energy: -0.148
local terms energy: -32.459584
where:
bonds (distance) C4'-P energy: -8.557
bonds (distance) P-C4' energy: -3.697
flat angles C4'-P-C4' energy: -8.750
flat angles P-C4'-P energy: -10.761
tors. eta vs tors. theta energy: -0.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -180.926934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.926934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.926934 (E_RNA)
where:
Base-Base interactions energy: -114.266
where: short stacking energy: -50.311
Base-Backbone interact. energy: -0.016
local terms energy: -66.644614
where:
bonds (distance) C4'-P energy: -10.931
bonds (distance) P-C4' energy: -14.275
flat angles C4'-P-C4' energy: -13.824
flat angles P-C4'-P energy: -9.030
tors. eta vs tors. theta energy: -18.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -176.497305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.497305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.497305 (E_RNA)
where:
Base-Base interactions energy: -113.400
where: short stacking energy: -45.471
Base-Backbone interact. energy: -0.047
local terms energy: -63.050438
where:
bonds (distance) C4'-P energy: -13.230
bonds (distance) P-C4' energy: -11.566
flat angles C4'-P-C4' energy: -11.843
flat angles P-C4'-P energy: -8.559
tors. eta vs tors. theta energy: -17.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -176.206090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.206090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.206090 (E_RNA)
where:
Base-Base interactions energy: -116.212
where: short stacking energy: -43.873
Base-Backbone interact. energy: -0.015
local terms energy: -59.979151
where:
bonds (distance) C4'-P energy: -12.646
bonds (distance) P-C4' energy: -9.225
flat angles C4'-P-C4' energy: -13.487
flat angles P-C4'-P energy: -8.701
tors. eta vs tors. theta energy: -15.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -166.761603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.761603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.761603 (E_RNA)
where:
Base-Base interactions energy: -109.865
where: short stacking energy: -45.933
Base-Backbone interact. energy: -0.075
local terms energy: -56.821268
where:
bonds (distance) C4'-P energy: -9.967
bonds (distance) P-C4' energy: -8.535
flat angles C4'-P-C4' energy: -13.792
flat angles P-C4'-P energy: -10.264
tors. eta vs tors. theta energy: -14.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -93.321429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.321429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.321429 (E_RNA)
where:
Base-Base interactions energy: -53.594
where: short stacking energy: -15.946
Base-Backbone interact. energy: -1.044
local terms energy: -38.683329
where:
bonds (distance) C4'-P energy: -9.570
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -7.439
flat angles P-C4'-P energy: -7.163
tors. eta vs tors. theta energy: 0.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -89.566781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.566781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.566781 (E_RNA)
where:
Base-Base interactions energy: -42.653
where: short stacking energy: -22.240
Base-Backbone interact. energy: 1.419
local terms energy: -48.332175
where:
bonds (distance) C4'-P energy: -13.594
bonds (distance) P-C4' energy: -12.659
flat angles C4'-P-C4' energy: -7.709
flat angles P-C4'-P energy: -8.765
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: 7, replica: 9
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -65.221771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.221771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.221771 (E_RNA)
where:
Base-Base interactions energy: -20.580
where: short stacking energy: -12.913
Base-Backbone interact. energy: -0.156
local terms energy: -44.484968
where:
bonds (distance) C4'-P energy: -12.509
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -7.966
flat angles P-C4'-P energy: -9.080
tors. eta vs tors. theta energy: -0.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -70.519133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.519133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.519133 (E_RNA)
where:
Base-Base interactions energy: -34.985
where: short stacking energy: -19.166
Base-Backbone interact. energy: -0.120
local terms energy: -35.414131
where:
bonds (distance) C4'-P energy: -7.349
bonds (distance) P-C4' energy: -10.098
flat angles C4'-P-C4' energy: -12.939
flat angles P-C4'-P energy: -0.955
tors. eta vs tors. theta energy: -4.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -62.805706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.805706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.805706 (E_RNA)
where:
Base-Base interactions energy: -28.295
where: short stacking energy: -7.840
Base-Backbone interact. energy: -0.452
local terms energy: -34.057865
where:
bonds (distance) C4'-P energy: -7.110
bonds (distance) P-C4' energy: -9.573
flat angles C4'-P-C4' energy: -10.927
flat angles P-C4'-P energy: -7.466
tors. eta vs tors. theta energy: 1.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -73.780520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.780520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.780520 (E_RNA)
where:
Base-Base interactions energy: -33.315
where: short stacking energy: -13.564
Base-Backbone interact. energy: -0.191
local terms energy: -40.274778
where:
bonds (distance) C4'-P energy: -11.944
bonds (distance) P-C4' energy: -11.531
flat angles C4'-P-C4' energy: -9.477
flat angles P-C4'-P energy: -7.502
tors. eta vs tors. theta energy: 0.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -182.333039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.333039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.333039 (E_RNA)
where:
Base-Base interactions energy: -121.612
where: short stacking energy: -51.898
Base-Backbone interact. energy: -0.003
local terms energy: -60.718087
where:
bonds (distance) C4'-P energy: -12.062
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -9.426
flat angles P-C4'-P energy: -7.598
tors. eta vs tors. theta energy: -16.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -177.305782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.305782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.305782 (E_RNA)
where:
Base-Base interactions energy: -122.229
where: short stacking energy: -31.832
Base-Backbone interact. energy: -0.067
local terms energy: -55.009260
where:
bonds (distance) C4'-P energy: -9.086
bonds (distance) P-C4' energy: -12.936
flat angles C4'-P-C4' energy: -12.197
flat angles P-C4'-P energy: -8.184
tors. eta vs tors. theta energy: -12.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -177.178984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.178984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.178984 (E_RNA)
where:
Base-Base interactions energy: -108.936
where: short stacking energy: -44.895
Base-Backbone interact. energy: -0.061
local terms energy: -68.181766
where:
bonds (distance) C4'-P energy: -14.012
bonds (distance) P-C4' energy: -13.648
flat angles C4'-P-C4' energy: -15.068
flat angles P-C4'-P energy: -8.182
tors. eta vs tors. theta energy: -17.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -166.840167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.840167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.840167 (E_RNA)
where:
Base-Base interactions energy: -114.725
where: short stacking energy: -38.500
Base-Backbone interact. energy: -0.111
local terms energy: -52.004144
where:
bonds (distance) C4'-P energy: -10.977
bonds (distance) P-C4' energy: -10.313
flat angles C4'-P-C4' energy: -10.411
flat angles P-C4'-P energy: -7.935
tors. eta vs tors. theta energy: -12.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -78.234822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.234822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.234822 (E_RNA)
where:
Base-Base interactions energy: -27.820
where: short stacking energy: -19.916
Base-Backbone interact. energy: -0.345
local terms energy: -50.069874
where:
bonds (distance) C4'-P energy: -11.710
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -6.894
flat angles P-C4'-P energy: -7.763
tors. eta vs tors. theta energy: -8.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -67.138360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.138360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.138360 (E_RNA)
where:
Base-Base interactions energy: -21.883
where: short stacking energy: -19.528
Base-Backbone interact. energy: -0.058
local terms energy: -45.196677
where:
bonds (distance) C4'-P energy: -10.407
bonds (distance) P-C4' energy: -13.748
flat angles C4'-P-C4' energy: -9.878
flat angles P-C4'-P energy: -8.897
tors. eta vs tors. theta energy: -2.267
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: 5
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -64.289740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.289740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.289740 (E_RNA)
where:
Base-Base interactions energy: -21.354
where: short stacking energy: -20.846
Base-Backbone interact. energy: -0.236
local terms energy: -42.699335
where:
bonds (distance) C4'-P energy: -13.478
bonds (distance) P-C4' energy: -10.229
flat angles C4'-P-C4' energy: -10.836
flat angles P-C4'-P energy: -8.284
tors. eta vs tors. theta energy: 0.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -65.955481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.955481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.955481 (E_RNA)
where:
Base-Base interactions energy: -24.915
where: short stacking energy: -4.840
Base-Backbone interact. energy: -0.182
local terms energy: -40.858589
where:
bonds (distance) C4'-P energy: -10.437
bonds (distance) P-C4' energy: -9.315
flat angles C4'-P-C4' energy: -6.832
flat angles P-C4'-P energy: -9.298
tors. eta vs tors. theta energy: -4.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -65.817749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.817749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.817749 (E_RNA)
where:
Base-Base interactions energy: -32.286
where: short stacking energy: -12.425
Base-Backbone interact. energy: -0.120
local terms energy: -33.411136
where:
bonds (distance) C4'-P energy: -11.094
bonds (distance) P-C4' energy: -11.002
flat angles C4'-P-C4' energy: -9.255
flat angles P-C4'-P energy: -0.277
tors. eta vs tors. theta energy: -1.783
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: 6
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -60.294625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.294625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.294625 (E_RNA)
where:
Base-Base interactions energy: -20.483
where: short stacking energy: -11.409
Base-Backbone interact. energy: -0.299
local terms energy: -39.512169
where:
bonds (distance) C4'-P energy: -8.432
bonds (distance) P-C4' energy: -6.073
flat angles C4'-P-C4' energy: -13.720
flat angles P-C4'-P energy: -8.619
tors. eta vs tors. theta energy: -2.668
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: 1, replica: 1
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -185.096287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.096287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.096287 (E_RNA)
where:
Base-Base interactions energy: -123.045
where: short stacking energy: -42.708
Base-Backbone interact. energy: -0.630
local terms energy: -61.421208
where:
bonds (distance) C4'-P energy: -11.888
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -12.880
flat angles P-C4'-P energy: -5.719
tors. eta vs tors. theta energy: -17.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -186.435225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.435225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.435225 (E_RNA)
where:
Base-Base interactions energy: -125.379
where: short stacking energy: -49.098
Base-Backbone interact. energy: -0.024
local terms energy: -61.031655
where:
bonds (distance) C4'-P energy: -8.991
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -11.947
flat angles P-C4'-P energy: -8.632
tors. eta vs tors. theta energy: -16.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -166.654047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.654047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.654047 (E_RNA)
where:
Base-Base interactions energy: -111.979
where: short stacking energy: -37.913
Base-Backbone interact. energy: -0.230
local terms energy: -54.445558
where:
bonds (distance) C4'-P energy: -12.651
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -12.532
flat angles P-C4'-P energy: -3.729
tors. eta vs tors. theta energy: -12.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -174.267801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.267801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.267801 (E_RNA)
where:
Base-Base interactions energy: -109.770
where: short stacking energy: -44.232
Base-Backbone interact. energy: -0.003
local terms energy: -64.494675
where:
bonds (distance) C4'-P energy: -12.311
bonds (distance) P-C4' energy: -12.460
flat angles C4'-P-C4' energy: -12.959
flat angles P-C4'-P energy: -11.704
tors. eta vs tors. theta energy: -15.061
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: 5, replica: 4
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -73.830547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.830547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.830547 (E_RNA)
where:
Base-Base interactions energy: -41.479
where: short stacking energy: -15.190
Base-Backbone interact. energy: -0.435
local terms energy: -31.917066
where:
bonds (distance) C4'-P energy: -8.171
bonds (distance) P-C4' energy: -12.190
flat angles C4'-P-C4' energy: -10.945
flat angles P-C4'-P energy: -3.298
tors. eta vs tors. theta energy: 2.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -65.962959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.962959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.962959 (E_RNA)
where:
Base-Base interactions energy: -20.195
where: short stacking energy: -20.195
Base-Backbone interact. energy: -0.115
local terms energy: -45.653319
where:
bonds (distance) C4'-P energy: -11.073
bonds (distance) P-C4' energy: -12.014
flat angles C4'-P-C4' energy: -12.042
flat angles P-C4'-P energy: -5.802
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: 7, replica: 3
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -85.642018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.642018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.642018 (E_RNA)
where:
Base-Base interactions energy: -50.455
where: short stacking energy: -14.757
Base-Backbone interact. energy: -0.283
local terms energy: -34.903677
where:
bonds (distance) C4'-P energy: -9.962
bonds (distance) P-C4' energy: -12.577
flat angles C4'-P-C4' energy: -10.099
flat angles P-C4'-P energy: -5.733
tors. eta vs tors. theta energy: 3.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -59.875860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.875860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.875860 (E_RNA)
where:
Base-Base interactions energy: -17.322
where: short stacking energy: -17.015
Base-Backbone interact. energy: -0.073
local terms energy: -42.480886
where:
bonds (distance) C4'-P energy: -11.765
bonds (distance) P-C4' energy: -12.388
flat angles C4'-P-C4' energy: -8.810
flat angles P-C4'-P energy: -5.781
tors. eta vs tors. theta energy: -3.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -64.341354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.341354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.341354 (E_RNA)
where:
Base-Base interactions energy: -25.620
where: short stacking energy: -18.290
Base-Backbone interact. energy: -0.104
local terms energy: -38.617760
where:
bonds (distance) C4'-P energy: -9.472
bonds (distance) P-C4' energy: -12.004
flat angles C4'-P-C4' energy: -10.062
flat angles P-C4'-P energy: -4.752
tors. eta vs tors. theta energy: -2.328
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: 10
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -57.265590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.265590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.265590 (E_RNA)
where:
Base-Base interactions energy: -30.272
where: short stacking energy: -10.179
Base-Backbone interact. energy: 0.701
local terms energy: -27.693997
where:
bonds (distance) C4'-P energy: -10.481
bonds (distance) P-C4' energy: -11.110
flat angles C4'-P-C4' energy: -9.605
flat angles P-C4'-P energy: -2.972
tors. eta vs tors. theta energy: 6.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -181.020033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.020033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.020033 (E_RNA)
where:
Base-Base interactions energy: -111.811
where: short stacking energy: -46.582
Base-Backbone interact. energy: -0.716
local terms energy: -68.493555
where:
bonds (distance) C4'-P energy: -13.334
bonds (distance) P-C4' energy: -15.824
flat angles C4'-P-C4' energy: -13.881
flat angles P-C4'-P energy: -9.964
tors. eta vs tors. theta energy: -15.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -174.223648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.223648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.223648 (E_RNA)
where:
Base-Base interactions energy: -114.476
where: short stacking energy: -41.116
Base-Backbone interact. energy: -0.220
local terms energy: -59.527930
where:
bonds (distance) C4'-P energy: -12.559
bonds (distance) P-C4' energy: -12.633
flat angles C4'-P-C4' energy: -13.344
flat angles P-C4'-P energy: -7.885
tors. eta vs tors. theta energy: -13.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -171.107784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.107784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.107784 (E_RNA)
where:
Base-Base interactions energy: -111.900
where: short stacking energy: -40.497
Base-Backbone interact. energy: -0.033
local terms energy: -59.174997
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -10.326
flat angles C4'-P-C4' energy: -11.768
flat angles P-C4'-P energy: -9.408
tors. eta vs tors. theta energy: -14.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -165.640080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.640080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.640080 (E_RNA)
where:
Base-Base interactions energy: -110.473
where: short stacking energy: -36.195
Base-Backbone interact. energy: -0.252
local terms energy: -54.915413
where:
bonds (distance) C4'-P energy: -13.452
bonds (distance) P-C4' energy: -8.295
flat angles C4'-P-C4' energy: -9.896
flat angles P-C4'-P energy: -8.917
tors. eta vs tors. theta energy: -14.355
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: 4
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -80.014306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.014306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.014306 (E_RNA)
where:
Base-Base interactions energy: -35.642
where: short stacking energy: -14.907
Base-Backbone interact. energy: -0.368
local terms energy: -44.004829
where:
bonds (distance) C4'-P energy: -14.493
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -8.080
flat angles P-C4'-P energy: -6.419
tors. eta vs tors. theta energy: -0.860
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: 9
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -85.070527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.070527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.070527 (E_RNA)
where:
Base-Base interactions energy: -37.918
where: short stacking energy: -12.150
Base-Backbone interact. energy: -0.196
local terms energy: -46.956412
where:
bonds (distance) C4'-P energy: -10.966
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -8.583
flat angles P-C4'-P energy: -10.904
tors. eta vs tors. theta energy: -2.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -100.582550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.582550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.582550 (E_RNA)
where:
Base-Base interactions energy: -60.642
where: short stacking energy: -18.518
Base-Backbone interact. energy: -0.100
local terms energy: -39.841202
where:
bonds (distance) C4'-P energy: -10.584
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -5.585
flat angles P-C4'-P energy: -8.455
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: 8, replica: 6
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -64.825993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.825993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.825993 (E_RNA)
where:
Base-Base interactions energy: -25.968
where: short stacking energy: -7.862
Base-Backbone interact. energy: -0.049
local terms energy: -38.808900
where:
bonds (distance) C4'-P energy: -12.663
bonds (distance) P-C4' energy: -11.161
flat angles C4'-P-C4' energy: -11.109
flat angles P-C4'-P energy: -3.346
tors. eta vs tors. theta energy: -0.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -66.120252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.120252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.120252 (E_RNA)
where:
Base-Base interactions energy: -26.605
where: short stacking energy: -24.735
Base-Backbone interact. energy: -0.126
local terms energy: -39.389797
where:
bonds (distance) C4'-P energy: -10.572
bonds (distance) P-C4' energy: -8.099
flat angles C4'-P-C4' energy: -10.005
flat angles P-C4'-P energy: -9.660
tors. eta vs tors. theta energy: -1.054
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: 10
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -57.934292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.934292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.934292 (E_RNA)
where:
Base-Base interactions energy: -14.448
where: short stacking energy: -14.448
Base-Backbone interact. energy: -0.261
local terms energy: -43.224836
where:
bonds (distance) C4'-P energy: -11.578
bonds (distance) P-C4' energy: -9.034
flat angles C4'-P-C4' energy: -12.251
flat angles P-C4'-P energy: -10.009
tors. eta vs tors. theta energy: -0.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -172.743571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.743571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.743571 (E_RNA)
where:
Base-Base interactions energy: -113.030
where: short stacking energy: -36.934
Base-Backbone interact. energy: 0.194
local terms energy: -59.907206
where:
bonds (distance) C4'-P energy: -12.796
bonds (distance) P-C4' energy: -10.307
flat angles C4'-P-C4' energy: -10.487
flat angles P-C4'-P energy: -9.725
tors. eta vs tors. theta energy: -16.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -171.385099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.385099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.385099 (E_RNA)
where:
Base-Base interactions energy: -113.115
where: short stacking energy: -46.154
Base-Backbone interact. energy: -0.072
local terms energy: -58.197746
where:
bonds (distance) C4'-P energy: -10.631
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -12.464
flat angles P-C4'-P energy: -6.589
tors. eta vs tors. theta energy: -14.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -177.092081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.092081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.092081 (E_RNA)
where:
Base-Base interactions energy: -115.380
where: short stacking energy: -46.916
Base-Backbone interact. energy: -0.432
local terms energy: -61.280637
where:
bonds (distance) C4'-P energy: -11.822
bonds (distance) P-C4' energy: -11.930
flat angles C4'-P-C4' energy: -11.727
flat angles P-C4'-P energy: -9.727
tors. eta vs tors. theta energy: -16.074
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: 2
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -172.994486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.994486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.994486 (E_RNA)
where:
Base-Base interactions energy: -110.129
where: short stacking energy: -45.553
Base-Backbone interact. energy: -0.001
local terms energy: -62.864778
where:
bonds (distance) C4'-P energy: -13.967
bonds (distance) P-C4' energy: -13.386
flat angles C4'-P-C4' energy: -12.732
flat angles P-C4'-P energy: -5.378
tors. eta vs tors. theta energy: -17.402
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: 5, replica: 9
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -79.292164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.292164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.292164 (E_RNA)
where:
Base-Base interactions energy: -33.603
where: short stacking energy: -22.330
Base-Backbone interact. energy: -0.067
local terms energy: -45.622432
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -11.232
flat angles C4'-P-C4' energy: -9.257
flat angles P-C4'-P energy: -8.555
tors. eta vs tors. theta energy: -3.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -72.884833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.884833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.884833 (E_RNA)
where:
Base-Base interactions energy: -34.576
where: short stacking energy: -17.220
Base-Backbone interact. energy: -0.486
local terms energy: -37.823013
where:
bonds (distance) C4'-P energy: -10.340
bonds (distance) P-C4' energy: -8.496
flat angles C4'-P-C4' energy: -6.557
flat angles P-C4'-P energy: -10.386
tors. eta vs tors. theta energy: -2.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -81.831462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.831462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.831462 (E_RNA)
where:
Base-Base interactions energy: -41.843
where: short stacking energy: -9.600
Base-Backbone interact. energy: 0.404
local terms energy: -40.392593
where:
bonds (distance) C4'-P energy: -8.347
bonds (distance) P-C4' energy: -13.970
flat angles C4'-P-C4' energy: -8.066
flat angles P-C4'-P energy: -8.023
tors. eta vs tors. theta energy: -1.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -104.568705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.568705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.568705 (E_RNA)
where:
Base-Base interactions energy: -61.237
where: short stacking energy: -29.422
Base-Backbone interact. energy: 0.295
local terms energy: -43.626766
where:
bonds (distance) C4'-P energy: -12.589
bonds (distance) P-C4' energy: -8.244
flat angles C4'-P-C4' energy: -7.772
flat angles P-C4'-P energy: -8.806
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: 9, replica: 10
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -62.539300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.539300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.539300 (E_RNA)
where:
Base-Base interactions energy: -27.724
where: short stacking energy: -2.201
Base-Backbone interact. energy: -0.957
local terms energy: -33.858165
where:
bonds (distance) C4'-P energy: -9.069
bonds (distance) P-C4' energy: -9.358
flat angles C4'-P-C4' energy: -6.772
flat angles P-C4'-P energy: -9.971
tors. eta vs tors. theta energy: 1.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -70.251595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.251595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.251595 (E_RNA)
where:
Base-Base interactions energy: -32.770
where: short stacking energy: -15.371
Base-Backbone interact. energy: 0.763
local terms energy: -38.244487
where:
bonds (distance) C4'-P energy: -9.997
bonds (distance) P-C4' energy: -11.666
flat angles C4'-P-C4' energy: -10.484
flat angles P-C4'-P energy: -6.752
tors. eta vs tors. theta energy: 0.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -185.674327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.674327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.674327 (E_RNA)
where:
Base-Base interactions energy: -128.179
where: short stacking energy: -43.491
Base-Backbone interact. energy: -0.055
local terms energy: -57.440814
where:
bonds (distance) C4'-P energy: -10.878
bonds (distance) P-C4' energy: -13.378
flat angles C4'-P-C4' energy: -12.096
flat angles P-C4'-P energy: -9.886
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: 7
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -167.043789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.043789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.043789 (E_RNA)
where:
Base-Base interactions energy: -104.301
where: short stacking energy: -41.296
Base-Backbone interact. energy: -0.145
local terms energy: -62.597701
where:
bonds (distance) C4'-P energy: -9.218
bonds (distance) P-C4' energy: -14.091
flat angles C4'-P-C4' energy: -15.031
flat angles P-C4'-P energy: -9.781
tors. eta vs tors. theta energy: -14.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -171.160907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.160907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.160907 (E_RNA)
where:
Base-Base interactions energy: -113.057
where: short stacking energy: -40.831
Base-Backbone interact. energy: -0.000
local terms energy: -58.103232
where:
bonds (distance) C4'-P energy: -11.078
bonds (distance) P-C4' energy: -11.063
flat angles C4'-P-C4' energy: -14.514
flat angles P-C4'-P energy: -6.913
tors. eta vs tors. theta energy: -14.535
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: 2
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -173.059222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.059222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.059222 (E_RNA)
where:
Base-Base interactions energy: -113.138
where: short stacking energy: -43.363
Base-Backbone interact. energy: 0.409
local terms energy: -60.329791
where:
bonds (distance) C4'-P energy: -5.935
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -14.080
flat angles P-C4'-P energy: -10.253
tors. eta vs tors. theta energy: -15.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -69.853385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.853385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.853385 (E_RNA)
where:
Base-Base interactions energy: -25.601
where: short stacking energy: -15.809
Base-Backbone interact. energy: -0.083
local terms energy: -44.169313
where:
bonds (distance) C4'-P energy: -11.499
bonds (distance) P-C4' energy: -13.374
flat angles C4'-P-C4' energy: -9.250
flat angles P-C4'-P energy: -11.278
tors. eta vs tors. theta energy: 1.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -76.297451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.297451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.297451 (E_RNA)
where:
Base-Base interactions energy: -30.003
where: short stacking energy: -30.003
Base-Backbone interact. energy: 2.365
local terms energy: -48.660317
where:
bonds (distance) C4'-P energy: -12.742
bonds (distance) P-C4' energy: -13.451
flat angles C4'-P-C4' energy: -8.067
flat angles P-C4'-P energy: -7.259
tors. eta vs tors. theta energy: -7.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -72.692058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.692058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.692058 (E_RNA)
where:
Base-Base interactions energy: -29.632
where: short stacking energy: -19.797
Base-Backbone interact. energy: -0.009
local terms energy: -43.051596
where:
bonds (distance) C4'-P energy: -13.243
bonds (distance) P-C4' energy: -14.582
flat angles C4'-P-C4' energy: -10.556
flat angles P-C4'-P energy: -4.491
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: 8, replica: 6
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -86.022715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.022715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.022715 (E_RNA)
where:
Base-Base interactions energy: -42.532
where: short stacking energy: -10.577
Base-Backbone interact. energy: -0.178
local terms energy: -43.313113
where:
bonds (distance) C4'-P energy: -14.671
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -8.010
flat angles P-C4'-P energy: -7.355
tors. eta vs tors. theta energy: -0.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -78.355157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.355157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.355157 (E_RNA)
where:
Base-Base interactions energy: -48.148
where: short stacking energy: -20.918
Base-Backbone interact. energy: 1.463
local terms energy: -31.670967
where:
bonds (distance) C4'-P energy: -10.775
bonds (distance) P-C4' energy: -8.650
flat angles C4'-P-C4' energy: -10.088
flat angles P-C4'-P energy: -2.609
tors. eta vs tors. theta energy: 0.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -57.970327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.970327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.970327 (E_RNA)
where:
Base-Base interactions energy: -23.804
where: short stacking energy: -14.665
Base-Backbone interact. energy: -0.781
local terms energy: -33.384501
where:
bonds (distance) C4'-P energy: -9.248
bonds (distance) P-C4' energy: -8.496
flat angles C4'-P-C4' energy: -10.192
flat angles P-C4'-P energy: -1.479
tors. eta vs tors. theta energy: -3.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -186.297241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.297241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.297241 (E_RNA)
where:
Base-Base interactions energy: -127.230
where: short stacking energy: -40.048
Base-Backbone interact. energy: -0.286
local terms energy: -58.781281
where:
bonds (distance) C4'-P energy: -9.414
bonds (distance) P-C4' energy: -13.392
flat angles C4'-P-C4' energy: -13.430
flat angles P-C4'-P energy: -8.888
tors. eta vs tors. theta energy: -13.658
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: 7
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -173.444495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.444495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.444495 (E_RNA)
where:
Base-Base interactions energy: -111.749
where: short stacking energy: -47.342
Base-Backbone interact. energy: -0.013
local terms energy: -61.682244
where:
bonds (distance) C4'-P energy: -11.752
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -11.733
flat angles P-C4'-P energy: -9.417
tors. eta vs tors. theta energy: -14.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -177.784436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.784436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.784436 (E_RNA)
where:
Base-Base interactions energy: -110.724
where: short stacking energy: -45.056
Base-Backbone interact. energy: -0.094
local terms energy: -66.966590
where:
bonds (distance) C4'-P energy: -12.428
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -13.984
flat angles P-C4'-P energy: -9.661
tors. eta vs tors. theta energy: -17.155
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: 4, replica: 1
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -174.665783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.665783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.665783 (E_RNA)
where:
Base-Base interactions energy: -113.579
where: short stacking energy: -48.016
Base-Backbone interact. energy: -0.315
local terms energy: -60.771552
where:
bonds (distance) C4'-P energy: -13.168
bonds (distance) P-C4' energy: -11.452
flat angles C4'-P-C4' energy: -12.587
flat angles P-C4'-P energy: -6.205
tors. eta vs tors. theta energy: -17.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -76.122926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.122926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.122926 (E_RNA)
where:
Base-Base interactions energy: -34.674
where: short stacking energy: -14.098
Base-Backbone interact. energy: -0.385
local terms energy: -41.063067
where:
bonds (distance) C4'-P energy: -12.352
bonds (distance) P-C4' energy: -13.849
flat angles C4'-P-C4' energy: -9.970
flat angles P-C4'-P energy: -5.555
tors. eta vs tors. theta energy: 0.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -64.105728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.105728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.105728 (E_RNA)
where:
Base-Base interactions energy: -19.340
where: short stacking energy: -16.203
Base-Backbone interact. energy: 0.545
local terms energy: -45.311197
where:
bonds (distance) C4'-P energy: -13.238
bonds (distance) P-C4' energy: -11.453
flat angles C4'-P-C4' energy: -11.840
flat angles P-C4'-P energy: -9.061
tors. eta vs tors. theta energy: 0.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -66.114194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.114194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.114194 (E_RNA)
where:
Base-Base interactions energy: -22.904
where: short stacking energy: -22.197
Base-Backbone interact. energy: -0.063
local terms energy: -43.146491
where:
bonds (distance) C4'-P energy: -12.617
bonds (distance) P-C4' energy: -13.593
flat angles C4'-P-C4' energy: -10.912
flat angles P-C4'-P energy: -4.608
tors. eta vs tors. theta energy: -1.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -68.824517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.824517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.824517 (E_RNA)
where:
Base-Base interactions energy: -24.313
where: short stacking energy: -14.814
Base-Backbone interact. energy: -0.311
local terms energy: -44.201006
where:
bonds (distance) C4'-P energy: -10.091
bonds (distance) P-C4' energy: -15.347
flat angles C4'-P-C4' energy: -12.719
flat angles P-C4'-P energy: -6.435
tors. eta vs tors. theta energy: 0.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -57.116821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.116821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.116821 (E_RNA)
where:
Base-Base interactions energy: -18.563
where: short stacking energy: -13.363
Base-Backbone interact. energy: -0.206
local terms energy: -38.347823
where:
bonds (distance) C4'-P energy: -6.734
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -9.885
flat angles P-C4'-P energy: -6.860
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: 472
Temperature: 1.350000
Total energy: -55.651115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.651115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.651115 (E_RNA)
where:
Base-Base interactions energy: -10.183
where: short stacking energy: -10.089
Base-Backbone interact. energy: -0.032
local terms energy: -45.436671
where:
bonds (distance) C4'-P energy: -10.854
bonds (distance) P-C4' energy: -10.833
flat angles C4'-P-C4' energy: -12.708
flat angles P-C4'-P energy: -8.719
tors. eta vs tors. theta energy: -2.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -175.142746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.142746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.142746 (E_RNA)
where:
Base-Base interactions energy: -121.617
where: short stacking energy: -38.061
Base-Backbone interact. energy: -0.229
local terms energy: -53.296295
where:
bonds (distance) C4'-P energy: -11.940
bonds (distance) P-C4' energy: -10.763
flat angles C4'-P-C4' energy: -9.983
flat angles P-C4'-P energy: -8.307
tors. eta vs tors. theta energy: -12.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -180.440117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.440117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.440117 (E_RNA)
where:
Base-Base interactions energy: -112.813
where: short stacking energy: -49.540
Base-Backbone interact. energy: -0.005
local terms energy: -67.622514
where:
bonds (distance) C4'-P energy: -10.709
bonds (distance) P-C4' energy: -13.321
flat angles C4'-P-C4' energy: -14.929
flat angles P-C4'-P energy: -10.388
tors. eta vs tors. theta energy: -18.275
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: 3, replica: 7
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -173.506098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.506098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.506098 (E_RNA)
where:
Base-Base interactions energy: -108.068
where: short stacking energy: -41.656
Base-Backbone interact. energy: -0.007
local terms energy: -65.430859
where:
bonds (distance) C4'-P energy: -11.877
bonds (distance) P-C4' energy: -13.994
flat angles C4'-P-C4' energy: -13.670
flat angles P-C4'-P energy: -8.353
tors. eta vs tors. theta energy: -17.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -162.488413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.488413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.488413 (E_RNA)
where:
Base-Base interactions energy: -104.472
where: short stacking energy: -36.688
Base-Backbone interact. energy: -1.146
local terms energy: -56.870577
where:
bonds (distance) C4'-P energy: -11.487
bonds (distance) P-C4' energy: -11.557
flat angles C4'-P-C4' energy: -12.523
flat angles P-C4'-P energy: -12.319
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: 4
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -71.036422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.036422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.036422 (E_RNA)
where:
Base-Base interactions energy: -23.075
where: short stacking energy: -18.827
Base-Backbone interact. energy: -0.160
local terms energy: -47.801625
where:
bonds (distance) C4'-P energy: -12.953
bonds (distance) P-C4' energy: -10.141
flat angles C4'-P-C4' energy: -12.481
flat angles P-C4'-P energy: -9.276
tors. eta vs tors. theta energy: -2.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -83.807829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.807829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.807829 (E_RNA)
where:
Base-Base interactions energy: -45.451
where: short stacking energy: -17.369
Base-Backbone interact. energy: -0.061
local terms energy: -38.296037
where:
bonds (distance) C4'-P energy: -11.826
bonds (distance) P-C4' energy: -11.055
flat angles C4'-P-C4' energy: -11.275
flat angles P-C4'-P energy: -3.909
tors. eta vs tors. theta energy: -0.232
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: 9
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -74.547313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.547313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.547313 (E_RNA)
where:
Base-Base interactions energy: -37.314
where: short stacking energy: -20.065
Base-Backbone interact. energy: -0.151
local terms energy: -37.081998
where:
bonds (distance) C4'-P energy: -11.900
bonds (distance) P-C4' energy: -12.421
flat angles C4'-P-C4' energy: -8.626
flat angles P-C4'-P energy: -0.450
tors. eta vs tors. theta energy: -3.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -58.309306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.309306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.309306 (E_RNA)
where:
Base-Base interactions energy: -28.904
where: short stacking energy: -20.269
Base-Backbone interact. energy: 1.289
local terms energy: -30.695056
where:
bonds (distance) C4'-P energy: -11.118
bonds (distance) P-C4' energy: -2.126
flat angles C4'-P-C4' energy: -7.273
flat angles P-C4'-P energy: -8.593
tors. eta vs tors. theta energy: -1.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -72.507907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.507907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.507907 (E_RNA)
where:
Base-Base interactions energy: -43.125
where: short stacking energy: -16.668
Base-Backbone interact. energy: -0.181
local terms energy: -29.202035
where:
bonds (distance) C4'-P energy: -5.601
bonds (distance) P-C4' energy: -13.867
flat angles C4'-P-C4' energy: -8.273
flat angles P-C4'-P energy: -2.870
tors. eta vs tors. theta energy: 1.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -58.726146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.726146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.726146 (E_RNA)
where:
Base-Base interactions energy: -22.401
where: short stacking energy: -14.069
Base-Backbone interact. energy: 1.128
local terms energy: -37.453656
where:
bonds (distance) C4'-P energy: -12.618
bonds (distance) P-C4' energy: -6.252
flat angles C4'-P-C4' energy: -11.909
flat angles P-C4'-P energy: -8.000
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: 2
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -181.593993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.593993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.593993 (E_RNA)
where:
Base-Base interactions energy: -115.355
where: short stacking energy: -47.335
Base-Backbone interact. energy: -0.165
local terms energy: -66.074629
where:
bonds (distance) C4'-P energy: -11.871
bonds (distance) P-C4' energy: -12.656
flat angles C4'-P-C4' energy: -13.803
flat angles P-C4'-P energy: -11.955
tors. eta vs tors. theta energy: -15.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -171.557900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.557900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.557900 (E_RNA)
where:
Base-Base interactions energy: -116.382
where: short stacking energy: -35.251
Base-Backbone interact. energy: -0.263
local terms energy: -54.912680
where:
bonds (distance) C4'-P energy: -12.609
bonds (distance) P-C4' energy: -11.873
flat angles C4'-P-C4' energy: -9.325
flat angles P-C4'-P energy: -9.519
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: 1
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -173.692622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.692622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.692622 (E_RNA)
where:
Base-Base interactions energy: -114.954
where: short stacking energy: -49.980
Base-Backbone interact. energy: 1.600
local terms energy: -60.338300
where:
bonds (distance) C4'-P energy: -12.413
bonds (distance) P-C4' energy: -11.234
flat angles C4'-P-C4' energy: -12.991
flat angles P-C4'-P energy: -8.007
tors. eta vs tors. theta energy: -15.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -175.415560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.415560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.415560 (E_RNA)
where:
Base-Base interactions energy: -114.507
where: short stacking energy: -50.369
Base-Backbone interact. energy: -0.023
local terms energy: -60.885037
where:
bonds (distance) C4'-P energy: -12.476
bonds (distance) P-C4' energy: -11.421
flat angles C4'-P-C4' energy: -12.756
flat angles P-C4'-P energy: -6.798
tors. eta vs tors. theta energy: -17.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -113.712488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.712488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.712488 (E_RNA)
where:
Base-Base interactions energy: -66.319
where: short stacking energy: -23.212
Base-Backbone interact. energy: -0.415
local terms energy: -46.979056
where:
bonds (distance) C4'-P energy: -11.549
bonds (distance) P-C4' energy: -12.306
flat angles C4'-P-C4' energy: -13.124
flat angles P-C4'-P energy: -4.452
tors. eta vs tors. theta energy: -5.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -75.530508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.530508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.530508 (E_RNA)
where:
Base-Base interactions energy: -32.267
where: short stacking energy: -20.391
Base-Backbone interact. energy: -0.122
local terms energy: -43.142092
where:
bonds (distance) C4'-P energy: -4.276
bonds (distance) P-C4' energy: -12.862
flat angles C4'-P-C4' energy: -12.105
flat angles P-C4'-P energy: -7.010
tors. eta vs tors. theta energy: -6.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -69.429921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.429921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.429921 (E_RNA)
where:
Base-Base interactions energy: -22.776
where: short stacking energy: -14.730
Base-Backbone interact. energy: -0.292
local terms energy: -46.361369
where:
bonds (distance) C4'-P energy: -12.903
bonds (distance) P-C4' energy: -11.190
flat angles C4'-P-C4' energy: -10.570
flat angles P-C4'-P energy: -9.119
tors. eta vs tors. theta energy: -2.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -72.727621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.727621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.727621 (E_RNA)
where:
Base-Base interactions energy: -32.766
where: short stacking energy: -16.044
Base-Backbone interact. energy: -0.127
local terms energy: -39.834642
where:
bonds (distance) C4'-P energy: -12.263
bonds (distance) P-C4' energy: -6.805
flat angles C4'-P-C4' energy: -10.179
flat angles P-C4'-P energy: -6.681
tors. eta vs tors. theta energy: -3.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -62.349699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.349699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.349699 (E_RNA)
where:
Base-Base interactions energy: -17.243
where: short stacking energy: -17.243
Base-Backbone interact. energy: -0.045
local terms energy: -45.061402
where:
bonds (distance) C4'-P energy: -13.850
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -6.673
flat angles P-C4'-P energy: -7.749
tors. eta vs tors. theta energy: -3.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -65.823586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.823586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.823586 (E_RNA)
where:
Base-Base interactions energy: -19.940
where: short stacking energy: -13.096
Base-Backbone interact. energy: 0.770
local terms energy: -46.653625
where:
bonds (distance) C4'-P energy: -9.359
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -11.959
flat angles P-C4'-P energy: -9.177
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: 2
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -181.244211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.244211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.244211 (E_RNA)
where:
Base-Base interactions energy: -115.505
where: short stacking energy: -51.889
Base-Backbone interact. energy: -0.001
local terms energy: -65.738121
where:
bonds (distance) C4'-P energy: -12.645
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -14.148
flat angles P-C4'-P energy: -6.578
tors. eta vs tors. theta energy: -18.183
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: 1
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -179.134051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.134051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.134051 (E_RNA)
where:
Base-Base interactions energy: -115.498
where: short stacking energy: -49.906
Base-Backbone interact. energy: -0.015
local terms energy: -63.621266
where:
bonds (distance) C4'-P energy: -10.862
bonds (distance) P-C4' energy: -12.739
flat angles C4'-P-C4' energy: -11.758
flat angles P-C4'-P energy: -12.331
tors. eta vs tors. theta energy: -15.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -180.135276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.135276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.135276 (E_RNA)
where:
Base-Base interactions energy: -117.688
where: short stacking energy: -49.377
Base-Backbone interact. energy: -0.002
local terms energy: -62.445234
where:
bonds (distance) C4'-P energy: -11.202
bonds (distance) P-C4' energy: -13.420
flat angles C4'-P-C4' energy: -13.761
flat angles P-C4'-P energy: -7.798
tors. eta vs tors. theta energy: -16.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -168.436070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.436070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.436070 (E_RNA)
where:
Base-Base interactions energy: -113.709
where: short stacking energy: -43.163
Base-Backbone interact. energy: -0.354
local terms energy: -54.372792
where:
bonds (distance) C4'-P energy: -6.643
bonds (distance) P-C4' energy: -11.761
flat angles C4'-P-C4' energy: -13.199
flat angles P-C4'-P energy: -6.256
tors. eta vs tors. theta energy: -16.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -92.230249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.230249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.230249 (E_RNA)
where:
Base-Base interactions energy: -48.557
where: short stacking energy: -17.074
Base-Backbone interact. energy: -0.413
local terms energy: -43.260436
where:
bonds (distance) C4'-P energy: -11.459
bonds (distance) P-C4' energy: -14.425
flat angles C4'-P-C4' energy: -8.494
flat angles P-C4'-P energy: -5.891
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: 6, replica: 9
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -68.408950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.408950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.408950 (E_RNA)
where:
Base-Base interactions energy: -24.647
where: short stacking energy: -12.868
Base-Backbone interact. energy: -0.139
local terms energy: -43.622387
where:
bonds (distance) C4'-P energy: -14.253
bonds (distance) P-C4' energy: -13.759
flat angles C4'-P-C4' energy: -11.614
flat angles P-C4'-P energy: -4.621
tors. eta vs tors. theta energy: 0.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -74.573431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.573431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.573431 (E_RNA)
where:
Base-Base interactions energy: -35.843
where: short stacking energy: -16.084
Base-Backbone interact. energy: -0.225
local terms energy: -38.505190
where:
bonds (distance) C4'-P energy: -9.128
bonds (distance) P-C4' energy: -13.113
flat angles C4'-P-C4' energy: -7.519
flat angles P-C4'-P energy: -4.753
tors. eta vs tors. theta energy: -3.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -65.166493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.166493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.166493 (E_RNA)
where:
Base-Base interactions energy: -26.917
where: short stacking energy: -11.124
Base-Backbone interact. energy: -0.071
local terms energy: -38.179227
where:
bonds (distance) C4'-P energy: -12.018
bonds (distance) P-C4' energy: -10.843
flat angles C4'-P-C4' energy: -10.236
flat angles P-C4'-P energy: -5.164
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: 9, replica: 10
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -64.165072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.165072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.165072 (E_RNA)
where:
Base-Base interactions energy: -24.058
where: short stacking energy: -24.058
Base-Backbone interact. energy: -0.182
local terms energy: -39.924595
where:
bonds (distance) C4'-P energy: -10.070
bonds (distance) P-C4' energy: -12.568
flat angles C4'-P-C4' energy: -10.188
flat angles P-C4'-P energy: -6.193
tors. eta vs tors. theta energy: -0.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -61.721333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.721333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.721333 (E_RNA)
where:
Base-Base interactions energy: -18.731
where: short stacking energy: -15.666
Base-Backbone interact. energy: -0.067
local terms energy: -42.922893
where:
bonds (distance) C4'-P energy: -14.695
bonds (distance) P-C4' energy: -8.878
flat angles C4'-P-C4' energy: -11.550
flat angles P-C4'-P energy: -6.637
tors. eta vs tors. theta energy: -1.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -187.642583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.642583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.642583 (E_RNA)
where:
Base-Base interactions energy: -122.053
where: short stacking energy: -53.354
Base-Backbone interact. energy: -0.001
local terms energy: -65.587900
where:
bonds (distance) C4'-P energy: -13.147
bonds (distance) P-C4' energy: -11.288
flat angles C4'-P-C4' energy: -13.313
flat angles P-C4'-P energy: -10.770
tors. eta vs tors. theta energy: -17.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -177.577026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.577026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.577026 (E_RNA)
where:
Base-Base interactions energy: -111.233
where: short stacking energy: -42.649
Base-Backbone interact. energy: -0.048
local terms energy: -66.296825
where:
bonds (distance) C4'-P energy: -14.402
bonds (distance) P-C4' energy: -12.226
flat angles C4'-P-C4' energy: -14.753
flat angles P-C4'-P energy: -9.675
tors. eta vs tors. theta energy: -15.241
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: 8
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -173.389057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.389057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.389057 (E_RNA)
where:
Base-Base interactions energy: -110.908
where: short stacking energy: -46.520
Base-Backbone interact. energy: -0.000
local terms energy: -62.480793
where:
bonds (distance) C4'-P energy: -12.759
bonds (distance) P-C4' energy: -14.586
flat angles C4'-P-C4' energy: -11.251
flat angles P-C4'-P energy: -9.055
tors. eta vs tors. theta energy: -14.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -167.215095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.215095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.215095 (E_RNA)
where:
Base-Base interactions energy: -108.392
where: short stacking energy: -41.652
Base-Backbone interact. energy: -0.001
local terms energy: -58.822219
where:
bonds (distance) C4'-P energy: -9.761
bonds (distance) P-C4' energy: -12.430
flat angles C4'-P-C4' energy: -10.603
flat angles P-C4'-P energy: -11.603
tors. eta vs tors. theta energy: -14.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -70.436535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.436535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.436535 (E_RNA)
where:
Base-Base interactions energy: -27.785
where: short stacking energy: -19.370
Base-Backbone interact. energy: -0.002
local terms energy: -42.650310
where:
bonds (distance) C4'-P energy: -9.937
bonds (distance) P-C4' energy: -10.853
flat angles C4'-P-C4' energy: -11.371
flat angles P-C4'-P energy: -8.487
tors. eta vs tors. theta energy: -2.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -76.587455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.587455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.587455 (E_RNA)
where:
Base-Base interactions energy: -32.634
where: short stacking energy: -21.231
Base-Backbone interact. energy: -0.208
local terms energy: -43.745973
where:
bonds (distance) C4'-P energy: -9.940
bonds (distance) P-C4' energy: -11.656
flat angles C4'-P-C4' energy: -12.495
flat angles P-C4'-P energy: -9.302
tors. eta vs tors. theta energy: -0.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -60.961764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.961764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.961764 (E_RNA)
where:
Base-Base interactions energy: -18.329
where: short stacking energy: -9.868
Base-Backbone interact. energy: -0.080
local terms energy: -42.552679
where:
bonds (distance) C4'-P energy: -11.276
bonds (distance) P-C4' energy: -11.502
flat angles C4'-P-C4' energy: -13.869
flat angles P-C4'-P energy: -9.817
tors. eta vs tors. theta energy: 3.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -63.088446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.088446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.088446 (E_RNA)
where:
Base-Base interactions energy: -25.035
where: short stacking energy: -18.688
Base-Backbone interact. energy: -0.095
local terms energy: -37.959004
where:
bonds (distance) C4'-P energy: -9.313
bonds (distance) P-C4' energy: -9.850
flat angles C4'-P-C4' energy: -9.828
flat angles P-C4'-P energy: -7.313
tors. eta vs tors. theta energy: -1.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -61.800973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.800973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.800973 (E_RNA)
where:
Base-Base interactions energy: -20.320
where: short stacking energy: -12.372
Base-Backbone interact. energy: -0.243
local terms energy: -41.237954
where:
bonds (distance) C4'-P energy: -13.586
bonds (distance) P-C4' energy: -6.965
flat angles C4'-P-C4' energy: -11.760
flat angles P-C4'-P energy: -7.025
tors. eta vs tors. theta energy: -1.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -70.413389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.413389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.413389 (E_RNA)
where:
Base-Base interactions energy: -35.318
where: short stacking energy: -13.741
Base-Backbone interact. energy: -0.266
local terms energy: -34.829394
where:
bonds (distance) C4'-P energy: -9.698
bonds (distance) P-C4' energy: -12.892
flat angles C4'-P-C4' energy: -10.756
flat angles P-C4'-P energy: -4.687
tors. eta vs tors. theta energy: 3.204
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: 1
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -181.960103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.960103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.960103 (E_RNA)
where:
Base-Base interactions energy: -119.161
where: short stacking energy: -50.377
Base-Backbone interact. energy: -0.633
local terms energy: -62.165712
where:
bonds (distance) C4'-P energy: -12.787
bonds (distance) P-C4' energy: -12.165
flat angles C4'-P-C4' energy: -12.083
flat angles P-C4'-P energy: -7.847
tors. eta vs tors. theta energy: -17.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -183.297563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.297563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.297563 (E_RNA)
where:
Base-Base interactions energy: -120.208
where: short stacking energy: -46.845
Base-Backbone interact. energy: -0.025
local terms energy: -63.065280
where:
bonds (distance) C4'-P energy: -13.168
bonds (distance) P-C4' energy: -6.611
flat angles C4'-P-C4' energy: -14.893
flat angles P-C4'-P energy: -12.209
tors. eta vs tors. theta energy: -16.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -175.214756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.214756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.214756 (E_RNA)
where:
Base-Base interactions energy: -119.910
where: short stacking energy: -41.378
Base-Backbone interact. energy: -0.057
local terms energy: -55.247711
where:
bonds (distance) C4'-P energy: -10.494
bonds (distance) P-C4' energy: -8.947
flat angles C4'-P-C4' energy: -13.672
flat angles P-C4'-P energy: -8.206
tors. eta vs tors. theta energy: -13.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -165.471652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.471652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.471652 (E_RNA)
where:
Base-Base interactions energy: -110.502
where: short stacking energy: -40.821
Base-Backbone interact. energy: -0.282
local terms energy: -54.688029
where:
bonds (distance) C4'-P energy: -12.717
bonds (distance) P-C4' energy: -10.584
flat angles C4'-P-C4' energy: -9.896
flat angles P-C4'-P energy: -9.766
tors. eta vs tors. theta energy: -11.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -87.847804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.847804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.847804 (E_RNA)
where:
Base-Base interactions energy: -43.977
where: short stacking energy: -16.476
Base-Backbone interact. energy: -0.006
local terms energy: -43.864527
where:
bonds (distance) C4'-P energy: -10.058
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -9.924
flat angles P-C4'-P energy: -4.604
tors. eta vs tors. theta energy: -4.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -77.595888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.595888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.595888 (E_RNA)
where:
Base-Base interactions energy: -38.332
where: short stacking energy: -16.849
Base-Backbone interact. energy: 0.977
local terms energy: -40.240968
where:
bonds (distance) C4'-P energy: -12.837
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -9.621
flat angles P-C4'-P energy: -4.623
tors. eta vs tors. theta energy: 1.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -83.135208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.135208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.135208 (E_RNA)
where:
Base-Base interactions energy: -43.195
where: short stacking energy: -20.669
Base-Backbone interact. energy: -0.179
local terms energy: -39.761400
where:
bonds (distance) C4'-P energy: -9.334
bonds (distance) P-C4' energy: -10.334
flat angles C4'-P-C4' energy: -11.974
flat angles P-C4'-P energy: -4.553
tors. eta vs tors. theta energy: -3.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -69.643996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.643996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.643996 (E_RNA)
where:
Base-Base interactions energy: -25.661
where: short stacking energy: -19.183
Base-Backbone interact. energy: -0.131
local terms energy: -43.852057
where:
bonds (distance) C4'-P energy: -11.185
bonds (distance) P-C4' energy: -11.522
flat angles C4'-P-C4' energy: -10.927
flat angles P-C4'-P energy: -5.345
tors. eta vs tors. theta energy: -4.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -65.936185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.936185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.936185 (E_RNA)
where:
Base-Base interactions energy: -21.934
where: short stacking energy: -21.289
Base-Backbone interact. energy: -0.001
local terms energy: -44.000623
where:
bonds (distance) C4'-P energy: -10.701
bonds (distance) P-C4' energy: -12.288
flat angles C4'-P-C4' energy: -12.510
flat angles P-C4'-P energy: -5.692
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: 10, replica: 10
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -56.192466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.192466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.192466 (E_RNA)
where:
Base-Base interactions energy: -23.699
where: short stacking energy: -15.021
Base-Backbone interact. energy: 1.195
local terms energy: -33.688588
where:
bonds (distance) C4'-P energy: -10.536
bonds (distance) P-C4' energy: -8.458
flat angles C4'-P-C4' energy: -6.752
flat angles P-C4'-P energy: -9.099
tors. eta vs tors. theta energy: 1.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -183.789590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.789590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.789590 (E_RNA)
where:
Base-Base interactions energy: -119.166
where: short stacking energy: -44.040
Base-Backbone interact. energy: -1.082
local terms energy: -63.542242
where:
bonds (distance) C4'-P energy: -12.207
bonds (distance) P-C4' energy: -14.389
flat angles C4'-P-C4' energy: -9.074
flat angles P-C4'-P energy: -10.519
tors. eta vs tors. theta energy: -17.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -182.274835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.274835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.274835 (E_RNA)
where:
Base-Base interactions energy: -117.843
where: short stacking energy: -46.756
Base-Backbone interact. energy: -0.001
local terms energy: -64.430967
where:
bonds (distance) C4'-P energy: -13.868
bonds (distance) P-C4' energy: -12.001
flat angles C4'-P-C4' energy: -13.748
flat angles P-C4'-P energy: -9.751
tors. eta vs tors. theta energy: -15.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -172.407251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.407251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.407251 (E_RNA)
where:
Base-Base interactions energy: -111.353
where: short stacking energy: -42.908
Base-Backbone interact. energy: -0.000
local terms energy: -61.053779
where:
bonds (distance) C4'-P energy: -11.860
bonds (distance) P-C4' energy: -13.307
flat angles C4'-P-C4' energy: -11.084
flat angles P-C4'-P energy: -11.576
tors. eta vs tors. theta energy: -13.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -171.668046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.668046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.668046 (E_RNA)
where:
Base-Base interactions energy: -107.368
where: short stacking energy: -46.906
Base-Backbone interact. energy: -0.001
local terms energy: -64.299394
where:
bonds (distance) C4'-P energy: -9.984
bonds (distance) P-C4' energy: -12.769
flat angles C4'-P-C4' energy: -13.839
flat angles P-C4'-P energy: -10.767
tors. eta vs tors. theta energy: -16.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -109.416421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.416421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.416421 (E_RNA)
where:
Base-Base interactions energy: -61.963
where: short stacking energy: -23.254
Base-Backbone interact. energy: -0.015
local terms energy: -47.437723
where:
bonds (distance) C4'-P energy: -10.689
bonds (distance) P-C4' energy: -9.129
flat angles C4'-P-C4' energy: -13.236
flat angles P-C4'-P energy: -7.617
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: 6, replica: 5
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -77.679317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.679317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.679317 (E_RNA)
where:
Base-Base interactions energy: -37.619
where: short stacking energy: -10.416
Base-Backbone interact. energy: -0.219
local terms energy: -39.841570
where:
bonds (distance) C4'-P energy: -8.352
bonds (distance) P-C4' energy: -10.291
flat angles C4'-P-C4' energy: -12.565
flat angles P-C4'-P energy: -8.348
tors. eta vs tors. theta energy: -0.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -73.014744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.014744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.014744 (E_RNA)
where:
Base-Base interactions energy: -28.725
where: short stacking energy: -15.688
Base-Backbone interact. energy: -0.489
local terms energy: -43.800669
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -12.162
flat angles C4'-P-C4' energy: -10.627
flat angles P-C4'-P energy: -6.735
tors. eta vs tors. theta energy: -1.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -58.852193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.852193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.852193 (E_RNA)
where:
Base-Base interactions energy: -19.945
where: short stacking energy: -16.876
Base-Backbone interact. energy: -0.784
local terms energy: -38.123083
where:
bonds (distance) C4'-P energy: -10.957
bonds (distance) P-C4' energy: -14.495
flat angles C4'-P-C4' energy: -10.934
flat angles P-C4'-P energy: -1.010
tors. eta vs tors. theta energy: -0.726
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: 10
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -80.211855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.211855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.211855 (E_RNA)
where:
Base-Base interactions energy: -35.457
where: short stacking energy: -19.878
Base-Backbone interact. energy: 0.448
local terms energy: -45.202958
where:
bonds (distance) C4'-P energy: -10.841
bonds (distance) P-C4' energy: -11.150
flat angles C4'-P-C4' energy: -10.671
flat angles P-C4'-P energy: -7.995
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: 10, replica: 4
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -75.747638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.747638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.747638 (E_RNA)
where:
Base-Base interactions energy: -41.014
where: short stacking energy: -20.070
Base-Backbone interact. energy: -0.098
local terms energy: -34.635267
where:
bonds (distance) C4'-P energy: -10.228
bonds (distance) P-C4' energy: -10.476
flat angles C4'-P-C4' energy: -7.123
flat angles P-C4'-P energy: -3.559
tors. eta vs tors. theta energy: -3.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -181.638806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.638806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.638806 (E_RNA)
where:
Base-Base interactions energy: -121.624
where: short stacking energy: -47.323
Base-Backbone interact. energy: -0.101
local terms energy: -59.914361
where:
bonds (distance) C4'-P energy: -11.470
bonds (distance) P-C4' energy: -11.592
flat angles C4'-P-C4' energy: -14.431
flat angles P-C4'-P energy: -5.527
tors. eta vs tors. theta energy: -16.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -178.437399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.437399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.437399 (E_RNA)
where:
Base-Base interactions energy: -113.668
where: short stacking energy: -44.940
Base-Backbone interact. energy: -0.666
local terms energy: -64.103663
where:
bonds (distance) C4'-P energy: -13.027
bonds (distance) P-C4' energy: -11.990
flat angles C4'-P-C4' energy: -13.918
flat angles P-C4'-P energy: -8.124
tors. eta vs tors. theta energy: -17.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -169.906172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.906172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.906172 (E_RNA)
where:
Base-Base interactions energy: -112.853
where: short stacking energy: -38.994
Base-Backbone interact. energy: -0.074
local terms energy: -56.979317
where:
bonds (distance) C4'-P energy: -9.219
bonds (distance) P-C4' energy: -11.862
flat angles C4'-P-C4' energy: -13.338
flat angles P-C4'-P energy: -6.513
tors. eta vs tors. theta energy: -16.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -173.417162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.417162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.417162 (E_RNA)
where:
Base-Base interactions energy: -113.515
where: short stacking energy: -46.840
Base-Backbone interact. energy: -1.557
local terms energy: -58.345355
where:
bonds (distance) C4'-P energy: -10.307
bonds (distance) P-C4' energy: -12.852
flat angles C4'-P-C4' energy: -10.103
flat angles P-C4'-P energy: -8.435
tors. eta vs tors. theta energy: -16.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -75.950110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.950110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.950110 (E_RNA)
where:
Base-Base interactions energy: -34.294
where: short stacking energy: -22.781
Base-Backbone interact. energy: -0.027
local terms energy: -41.629181
where:
bonds (distance) C4'-P energy: -10.643
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -4.848
flat angles P-C4'-P energy: -7.925
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: 6, replica: 3
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -78.748857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.748857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.748857 (E_RNA)
where:
Base-Base interactions energy: -31.749
where: short stacking energy: -21.004
Base-Backbone interact. energy: -0.739
local terms energy: -46.260527
where:
bonds (distance) C4'-P energy: -9.922
bonds (distance) P-C4' energy: -10.195
flat angles C4'-P-C4' energy: -14.201
flat angles P-C4'-P energy: -6.435
tors. eta vs tors. theta energy: -5.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -60.312819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.312819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.312819 (E_RNA)
where:
Base-Base interactions energy: -14.819
where: short stacking energy: -14.819
Base-Backbone interact. energy: -0.071
local terms energy: -45.422978
where:
bonds (distance) C4'-P energy: -10.854
bonds (distance) P-C4' energy: -14.914
flat angles C4'-P-C4' energy: -9.629
flat angles P-C4'-P energy: -6.453
tors. eta vs tors. theta energy: -3.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -70.723505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.723505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.723505 (E_RNA)
where:
Base-Base interactions energy: -27.683
where: short stacking energy: -19.964
Base-Backbone interact. energy: -0.187
local terms energy: -42.853728
where:
bonds (distance) C4'-P energy: -10.163
bonds (distance) P-C4' energy: -10.669
flat angles C4'-P-C4' energy: -10.846
flat angles P-C4'-P energy: -7.233
tors. eta vs tors. theta energy: -3.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -64.946191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.946191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.946191 (E_RNA)
where:
Base-Base interactions energy: -17.724
where: short stacking energy: -17.724
Base-Backbone interact. energy: -0.108
local terms energy: -47.114203
where:
bonds (distance) C4'-P energy: -11.836
bonds (distance) P-C4' energy: -11.502
flat angles C4'-P-C4' energy: -10.893
flat angles P-C4'-P energy: -7.553
tors. eta vs tors. theta energy: -5.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -61.711505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.711505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.711505 (E_RNA)
where:
Base-Base interactions energy: -18.929
where: short stacking energy: -13.441
Base-Backbone interact. energy: -0.151
local terms energy: -42.630823
where:
bonds (distance) C4'-P energy: -11.995
bonds (distance) P-C4' energy: -12.398
flat angles C4'-P-C4' energy: -7.392
flat angles P-C4'-P energy: -8.885
tors. eta vs tors. theta energy: -1.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -182.782417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.782417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.782417 (E_RNA)
where:
Base-Base interactions energy: -118.442
where: short stacking energy: -49.884
Base-Backbone interact. energy: -0.058
local terms energy: -64.282759
where:
bonds (distance) C4'-P energy: -13.694
bonds (distance) P-C4' energy: -8.705
flat angles C4'-P-C4' energy: -14.437
flat angles P-C4'-P energy: -10.782
tors. eta vs tors. theta energy: -16.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -177.652660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.652660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.652660 (E_RNA)
where:
Base-Base interactions energy: -109.739
where: short stacking energy: -43.761
Base-Backbone interact. energy: -0.051
local terms energy: -67.862426
where:
bonds (distance) C4'-P energy: -14.190
bonds (distance) P-C4' energy: -14.097
flat angles C4'-P-C4' energy: -13.269
flat angles P-C4'-P energy: -8.166
tors. eta vs tors. theta energy: -18.141
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: 2
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -172.310675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.310675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.310675 (E_RNA)
where:
Base-Base interactions energy: -109.948
where: short stacking energy: -42.237
Base-Backbone interact. energy: -0.689
local terms energy: -61.673600
where:
bonds (distance) C4'-P energy: -12.580
bonds (distance) P-C4' energy: -12.365
flat angles C4'-P-C4' energy: -13.892
flat angles P-C4'-P energy: -9.916
tors. eta vs tors. theta energy: -12.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -168.808761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.808761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.808761 (E_RNA)
where:
Base-Base interactions energy: -109.767
where: short stacking energy: -40.401
Base-Backbone interact. energy: -0.104
local terms energy: -58.938506
where:
bonds (distance) C4'-P energy: -13.043
bonds (distance) P-C4' energy: -12.824
flat angles C4'-P-C4' energy: -12.396
flat angles P-C4'-P energy: -5.982
tors. eta vs tors. theta energy: -14.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -106.288590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.288590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.288590 (E_RNA)
where:
Base-Base interactions energy: -58.746
where: short stacking energy: -27.193
Base-Backbone interact. energy: 0.151
local terms energy: -47.694172
where:
bonds (distance) C4'-P energy: -11.210
bonds (distance) P-C4' energy: -9.661
flat angles C4'-P-C4' energy: -10.619
flat angles P-C4'-P energy: -11.621
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: 6, replica: 3
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -73.077165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.077165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.077165 (E_RNA)
where:
Base-Base interactions energy: -31.084
where: short stacking energy: -19.149
Base-Backbone interact. energy: -0.229
local terms energy: -41.764096
where:
bonds (distance) C4'-P energy: -9.152
bonds (distance) P-C4' energy: -12.631
flat angles C4'-P-C4' energy: -12.090
flat angles P-C4'-P energy: -7.804
tors. eta vs tors. theta energy: -0.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -69.041692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.041692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.041692 (E_RNA)
where:
Base-Base interactions energy: -34.052
where: short stacking energy: -9.919
Base-Backbone interact. energy: -0.440
local terms energy: -34.549417
where:
bonds (distance) C4'-P energy: -9.090
bonds (distance) P-C4' energy: -8.296
flat angles C4'-P-C4' energy: -11.834
flat angles P-C4'-P energy: -2.745
tors. eta vs tors. theta energy: -2.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -64.254701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.254701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.254701 (E_RNA)
where:
Base-Base interactions energy: -22.867
where: short stacking energy: -9.334
Base-Backbone interact. energy: 0.323
local terms energy: -41.710219
where:
bonds (distance) C4'-P energy: -12.352
bonds (distance) P-C4' energy: -14.115
flat angles C4'-P-C4' energy: -9.900
flat angles P-C4'-P energy: -6.704
tors. eta vs tors. theta energy: 1.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -62.544557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.544557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.544557 (E_RNA)
where:
Base-Base interactions energy: -24.199
where: short stacking energy: -20.704
Base-Backbone interact. energy: -0.191
local terms energy: -38.154865
where:
bonds (distance) C4'-P energy: -12.741
bonds (distance) P-C4' energy: -7.453
flat angles C4'-P-C4' energy: -9.918
flat angles P-C4'-P energy: -3.150
tors. eta vs tors. theta energy: -4.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -52.153603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.153603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.153603 (E_RNA)
where:
Base-Base interactions energy: -7.697
where: short stacking energy: -7.797
Base-Backbone interact. energy: -0.106
local terms energy: -44.349668
where:
bonds (distance) C4'-P energy: -13.532
bonds (distance) P-C4' energy: -12.370
flat angles C4'-P-C4' energy: -12.776
flat angles P-C4'-P energy: -6.892
tors. eta vs tors. theta energy: 1.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -181.768839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.768839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.768839 (E_RNA)
where:
Base-Base interactions energy: -114.550
where: short stacking energy: -44.462
Base-Backbone interact. energy: -2.181
local terms energy: -65.038645
where:
bonds (distance) C4'-P energy: -11.607
bonds (distance) P-C4' energy: -11.209
flat angles C4'-P-C4' energy: -13.734
flat angles P-C4'-P energy: -11.075
tors. eta vs tors. theta energy: -17.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -175.246798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.246798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.246798 (E_RNA)
where:
Base-Base interactions energy: -113.527
where: short stacking energy: -46.604
Base-Backbone interact. energy: -0.466
local terms energy: -61.254063
where:
bonds (distance) C4'-P energy: -13.540
bonds (distance) P-C4' energy: -12.147
flat angles C4'-P-C4' energy: -11.365
flat angles P-C4'-P energy: -9.469
tors. eta vs tors. theta energy: -14.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -174.996880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.996880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.996880 (E_RNA)
where:
Base-Base interactions energy: -113.277
where: short stacking energy: -45.221
Base-Backbone interact. energy: -0.026
local terms energy: -61.693595
where:
bonds (distance) C4'-P energy: -11.864
bonds (distance) P-C4' energy: -13.367
flat angles C4'-P-C4' energy: -12.662
flat angles P-C4'-P energy: -7.856
tors. eta vs tors. theta energy: -15.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -174.286264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.286264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.286264 (E_RNA)
where:
Base-Base interactions energy: -114.821
where: short stacking energy: -47.380
Base-Backbone interact. energy: -0.121
local terms energy: -59.343899
where:
bonds (distance) C4'-P energy: -7.040
bonds (distance) P-C4' energy: -12.447
flat angles C4'-P-C4' energy: -12.512
flat angles P-C4'-P energy: -9.329
tors. eta vs tors. theta energy: -18.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -119.274201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.274201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.274201 (E_RNA)
where:
Base-Base interactions energy: -74.318
where: short stacking energy: -25.689
Base-Backbone interact. energy: -0.089
local terms energy: -44.866708
where:
bonds (distance) C4'-P energy: -12.269
bonds (distance) P-C4' energy: -15.591
flat angles C4'-P-C4' energy: -6.613
flat angles P-C4'-P energy: -6.577
tors. eta vs tors. theta energy: -3.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -78.332376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.332376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.332376 (E_RNA)
where:
Base-Base interactions energy: -39.803
where: short stacking energy: -18.289
Base-Backbone interact. energy: 0.165
local terms energy: -38.694740
where:
bonds (distance) C4'-P energy: -11.889
bonds (distance) P-C4' energy: -13.152
flat angles C4'-P-C4' energy: -9.925
flat angles P-C4'-P energy: -4.163
tors. eta vs tors. theta energy: 0.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -79.020825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.020825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.020825 (E_RNA)
where:
Base-Base interactions energy: -41.928
where: short stacking energy: -21.367
Base-Backbone interact. energy: -0.186
local terms energy: -36.907031
where:
bonds (distance) C4'-P energy: -10.693
bonds (distance) P-C4' energy: -12.198
flat angles C4'-P-C4' energy: -4.212
flat angles P-C4'-P energy: -5.469
tors. eta vs tors. theta energy: -4.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -59.425342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.425342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.425342 (E_RNA)
where:
Base-Base interactions energy: -30.936
where: short stacking energy: -19.098
Base-Backbone interact. energy: -0.254
local terms energy: -28.235105
where:
bonds (distance) C4'-P energy: -9.472
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -3.861
flat angles P-C4'-P energy: -1.192
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: 9, replica: 10
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -69.837743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.837743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.837743 (E_RNA)
where:
Base-Base interactions energy: -29.018
where: short stacking energy: -18.684
Base-Backbone interact. energy: -0.003
local terms energy: -40.817091
where:
bonds (distance) C4'-P energy: -10.949
bonds (distance) P-C4' energy: -11.333
flat angles C4'-P-C4' energy: -11.808
flat angles P-C4'-P energy: -1.531
tors. eta vs tors. theta energy: -5.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -55.619928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.619928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.619928 (E_RNA)
where:
Base-Base interactions energy: -17.027
where: short stacking energy: -14.942
Base-Backbone interact. energy: -0.124
local terms energy: -38.468479
where:
bonds (distance) C4'-P energy: -12.137
bonds (distance) P-C4' energy: -10.772
flat angles C4'-P-C4' energy: -9.346
flat angles P-C4'-P energy: -2.226
tors. eta vs tors. theta energy: -3.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -181.815671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.815671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.815671 (E_RNA)
where:
Base-Base interactions energy: -119.080
where: short stacking energy: -50.313
Base-Backbone interact. energy: -0.297
local terms energy: -62.439072
where:
bonds (distance) C4'-P energy: -9.971
bonds (distance) P-C4' energy: -12.448
flat angles C4'-P-C4' energy: -12.967
flat angles P-C4'-P energy: -9.697
tors. eta vs tors. theta energy: -17.356
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: 1
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -174.533107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.533107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.533107 (E_RNA)
where:
Base-Base interactions energy: -112.545
where: short stacking energy: -44.727
Base-Backbone interact. energy: -0.001
local terms energy: -61.986985
where:
bonds (distance) C4'-P energy: -8.296
bonds (distance) P-C4' energy: -13.782
flat angles C4'-P-C4' energy: -13.477
flat angles P-C4'-P energy: -11.118
tors. eta vs tors. theta energy: -15.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -176.661917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.661917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.661917 (E_RNA)
where:
Base-Base interactions energy: -111.042
where: short stacking energy: -45.231
Base-Backbone interact. energy: -0.035
local terms energy: -65.585113
where:
bonds (distance) C4'-P energy: -10.841
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -14.244
flat angles P-C4'-P energy: -8.917
tors. eta vs tors. theta energy: -17.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -170.736090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.736090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.736090 (E_RNA)
where:
Base-Base interactions energy: -110.062
where: short stacking energy: -41.381
Base-Backbone interact. energy: -1.256
local terms energy: -59.417773
where:
bonds (distance) C4'-P energy: -10.486
bonds (distance) P-C4' energy: -12.829
flat angles C4'-P-C4' energy: -14.632
flat angles P-C4'-P energy: -10.505
tors. eta vs tors. theta energy: -10.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -112.193246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.193246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.193246 (E_RNA)
where:
Base-Base interactions energy: -66.220
where: short stacking energy: -19.974
Base-Backbone interact. energy: -0.111
local terms energy: -45.862643
where:
bonds (distance) C4'-P energy: -13.052
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -11.293
flat angles P-C4'-P energy: -4.311
tors. eta vs tors. theta energy: -2.553
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: 6, replica: 3
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -64.941937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.941937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.941937 (E_RNA)
where:
Base-Base interactions energy: -22.691
where: short stacking energy: -15.328
Base-Backbone interact. energy: -0.214
local terms energy: -42.036732
where:
bonds (distance) C4'-P energy: -11.057
bonds (distance) P-C4' energy: -10.924
flat angles C4'-P-C4' energy: -11.238
flat angles P-C4'-P energy: -9.732
tors. eta vs tors. theta energy: 0.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -90.185107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.185107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.185107 (E_RNA)
where:
Base-Base interactions energy: -46.987
where: short stacking energy: -11.242
Base-Backbone interact. energy: -0.227
local terms energy: -42.971973
where:
bonds (distance) C4'-P energy: -10.406
bonds (distance) P-C4' energy: -14.082
flat angles C4'-P-C4' energy: -8.101
flat angles P-C4'-P energy: -9.835
tors. eta vs tors. theta energy: -0.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -65.973977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.973977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.973977 (E_RNA)
where:
Base-Base interactions energy: -15.792
where: short stacking energy: -12.003
Base-Backbone interact. energy: -0.107
local terms energy: -50.074749
where:
bonds (distance) C4'-P energy: -11.553
bonds (distance) P-C4' energy: -12.771
flat angles C4'-P-C4' energy: -11.621
flat angles P-C4'-P energy: -9.225
tors. eta vs tors. theta energy: -4.905
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: 6
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -58.436054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.436054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.436054 (E_RNA)
where:
Base-Base interactions energy: -14.163
where: short stacking energy: -14.663
Base-Backbone interact. energy: -0.132
local terms energy: -44.141021
where:
bonds (distance) C4'-P energy: -10.092
bonds (distance) P-C4' energy: -11.553
flat angles C4'-P-C4' energy: -12.132
flat angles P-C4'-P energy: -6.813
tors. eta vs tors. theta energy: -3.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -63.576846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.576846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.576846 (E_RNA)
where:
Base-Base interactions energy: -21.927
where: short stacking energy: -13.352
Base-Backbone interact. energy: -0.108
local terms energy: -41.541938
where:
bonds (distance) C4'-P energy: -7.816
bonds (distance) P-C4' energy: -13.318
flat angles C4'-P-C4' energy: -12.144
flat angles P-C4'-P energy: -6.004
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: 2
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -179.384371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.384371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.384371 (E_RNA)
where:
Base-Base interactions energy: -116.605
where: short stacking energy: -44.345
Base-Backbone interact. energy: -0.009
local terms energy: -62.770383
where:
bonds (distance) C4'-P energy: -11.678
bonds (distance) P-C4' energy: -12.528
flat angles C4'-P-C4' energy: -13.598
flat angles P-C4'-P energy: -8.409
tors. eta vs tors. theta energy: -16.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -179.500532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.500532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.500532 (E_RNA)
where:
Base-Base interactions energy: -117.160
where: short stacking energy: -48.245
Base-Backbone interact. energy: -1.166
local terms energy: -61.174697
where:
bonds (distance) C4'-P energy: -12.788
bonds (distance) P-C4' energy: -10.776
flat angles C4'-P-C4' energy: -10.285
flat angles P-C4'-P energy: -9.596
tors. eta vs tors. theta energy: -17.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -178.490941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.490941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.490941 (E_RNA)
where:
Base-Base interactions energy: -113.537
where: short stacking energy: -45.013
Base-Backbone interact. energy: -0.017
local terms energy: -64.937235
where:
bonds (distance) C4'-P energy: -11.545
bonds (distance) P-C4' energy: -12.398
flat angles C4'-P-C4' energy: -13.300
flat angles P-C4'-P energy: -10.498
tors. eta vs tors. theta energy: -17.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -169.340634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.340634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.340634 (E_RNA)
where:
Base-Base interactions energy: -110.500
where: short stacking energy: -40.289
Base-Backbone interact. energy: -0.116
local terms energy: -58.724479
where:
bonds (distance) C4'-P energy: -12.866
bonds (distance) P-C4' energy: -13.191
flat angles C4'-P-C4' energy: -8.478
flat angles P-C4'-P energy: -10.420
tors. eta vs tors. theta energy: -13.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -135.367830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.367830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.367830 (E_RNA)
where:
Base-Base interactions energy: -77.457
where: short stacking energy: -37.049
Base-Backbone interact. energy: -2.158
local terms energy: -55.753293
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -12.352
flat angles C4'-P-C4' energy: -13.252
flat angles P-C4'-P energy: -7.534
tors. eta vs tors. theta energy: -7.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -107.309263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.309263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.309263 (E_RNA)
where:
Base-Base interactions energy: -63.016
where: short stacking energy: -23.964
Base-Backbone interact. energy: -0.031
local terms energy: -44.262508
where:
bonds (distance) C4'-P energy: -8.756
bonds (distance) P-C4' energy: -14.023
flat angles C4'-P-C4' energy: -11.659
flat angles P-C4'-P energy: -4.480
tors. eta vs tors. theta energy: -5.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -63.819515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.819515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.819515 (E_RNA)
where:
Base-Base interactions energy: -21.955
where: short stacking energy: -17.393
Base-Backbone interact. energy: -0.060
local terms energy: -41.805317
where:
bonds (distance) C4'-P energy: -11.160
bonds (distance) P-C4' energy: -13.836
flat angles C4'-P-C4' energy: -8.549
flat angles P-C4'-P energy: -5.761
tors. eta vs tors. theta energy: -2.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -69.501505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.501505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.501505 (E_RNA)
where:
Base-Base interactions energy: -24.278
where: short stacking energy: -15.606
Base-Backbone interact. energy: -0.017
local terms energy: -45.206808
where:
bonds (distance) C4'-P energy: -10.647
bonds (distance) P-C4' energy: -13.861
flat angles C4'-P-C4' energy: -7.440
flat angles P-C4'-P energy: -6.640
tors. eta vs tors. theta energy: -6.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -79.864935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.864935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.864935 (E_RNA)
where:
Base-Base interactions energy: -43.271
where: short stacking energy: -28.237
Base-Backbone interact. energy: -0.118
local terms energy: -36.475400
where:
bonds (distance) C4'-P energy: -4.681
bonds (distance) P-C4' energy: -11.808
flat angles C4'-P-C4' energy: -8.485
flat angles P-C4'-P energy: -8.586
tors. eta vs tors. theta energy: -2.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -76.314233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.314233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.314233 (E_RNA)
where:
Base-Base interactions energy: -36.950
where: short stacking energy: -16.786
Base-Backbone interact. energy: 0.013
local terms energy: -39.377227
where:
bonds (distance) C4'-P energy: -9.016
bonds (distance) P-C4' energy: -13.723
flat angles C4'-P-C4' energy: -4.882
flat angles P-C4'-P energy: -9.924
tors. eta vs tors. theta energy: -1.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -182.740760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.740760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.740760 (E_RNA)
where:
Base-Base interactions energy: -120.688
where: short stacking energy: -51.950
Base-Backbone interact. energy: 0.418
local terms energy: -62.470011
where:
bonds (distance) C4'-P energy: -13.772
bonds (distance) P-C4' energy: -11.855
flat angles C4'-P-C4' energy: -13.228
flat angles P-C4'-P energy: -7.769
tors. eta vs tors. theta energy: -15.846
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: 2, replica: 2
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -174.812688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.812688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.812688 (E_RNA)
where:
Base-Base interactions energy: -113.616
where: short stacking energy: -42.097
Base-Backbone interact. energy: -0.497
local terms energy: -60.699904
where:
bonds (distance) C4'-P energy: -10.945
bonds (distance) P-C4' energy: -9.374
flat angles C4'-P-C4' energy: -14.906
flat angles P-C4'-P energy: -10.211
tors. eta vs tors. theta energy: -15.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -177.700213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.700213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.700213 (E_RNA)
where:
Base-Base interactions energy: -112.653
where: short stacking energy: -47.282
Base-Backbone interact. energy: -0.005
local terms energy: -65.042309
where:
bonds (distance) C4'-P energy: -12.022
bonds (distance) P-C4' energy: -12.612
flat angles C4'-P-C4' energy: -14.057
flat angles P-C4'-P energy: -9.015
tors. eta vs tors. theta energy: -17.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -160.221145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.221145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.221145 (E_RNA)
where:
Base-Base interactions energy: -110.531
where: short stacking energy: -46.517
Base-Backbone interact. energy: -0.009
local terms energy: -49.681392
where:
bonds (distance) C4'-P energy: -11.561
bonds (distance) P-C4' energy: -9.193
flat angles C4'-P-C4' energy: -11.298
flat angles P-C4'-P energy: -4.276
tors. eta vs tors. theta energy: -13.353
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: 5, replica: 5
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -127.111363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.111363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.111363 (E_RNA)
where:
Base-Base interactions energy: -79.829
where: short stacking energy: -30.448
Base-Backbone interact. energy: -0.115
local terms energy: -47.166956
where:
bonds (distance) C4'-P energy: -11.845
bonds (distance) P-C4' energy: -10.688
flat angles C4'-P-C4' energy: -9.059
flat angles P-C4'-P energy: -10.024
tors. eta vs tors. theta energy: -5.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -130.561788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.561788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.561788 (E_RNA)
where:
Base-Base interactions energy: -79.908
where: short stacking energy: -22.330
Base-Backbone interact. energy: 0.119
local terms energy: -50.772692
where:
bonds (distance) C4'-P energy: -10.311
bonds (distance) P-C4' energy: -11.337
flat angles C4'-P-C4' energy: -10.877
flat angles P-C4'-P energy: -8.802
tors. eta vs tors. theta energy: -9.444
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: 4
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -74.720412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.720412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.720412 (E_RNA)
where:
Base-Base interactions energy: -28.523
where: short stacking energy: -10.655
Base-Backbone interact. energy: -0.872
local terms energy: -45.325058
where:
bonds (distance) C4'-P energy: -9.057
bonds (distance) P-C4' energy: -11.784
flat angles C4'-P-C4' energy: -11.638
flat angles P-C4'-P energy: -9.768
tors. eta vs tors. theta energy: -3.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -74.554434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.554434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.554434 (E_RNA)
where:
Base-Base interactions energy: -35.371
where: short stacking energy: -13.528
Base-Backbone interact. energy: -1.546
local terms energy: -37.636934
where:
bonds (distance) C4'-P energy: -10.420
bonds (distance) P-C4' energy: -11.699
flat angles C4'-P-C4' energy: -13.602
flat angles P-C4'-P energy: -3.695
tors. eta vs tors. theta energy: 1.779
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: 9, replica: 10
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -68.110300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.110300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.110300 (E_RNA)
where:
Base-Base interactions energy: -32.361
where: short stacking energy: -13.937
Base-Backbone interact. energy: 0.650
local terms energy: -36.399592
where:
bonds (distance) C4'-P energy: -11.558
bonds (distance) P-C4' energy: -11.512
flat angles C4'-P-C4' energy: -4.555
flat angles P-C4'-P energy: -4.235
tors. eta vs tors. theta energy: -4.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -69.306085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.306085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.306085 (E_RNA)
where:
Base-Base interactions energy: -18.361
where: short stacking energy: -9.890
Base-Backbone interact. energy: -0.109
local terms energy: -50.836640
where:
bonds (distance) C4'-P energy: -11.350
bonds (distance) P-C4' energy: -9.639
flat angles C4'-P-C4' energy: -14.010
flat angles P-C4'-P energy: -8.581
tors. eta vs tors. theta energy: -7.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -181.593901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.593901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.593901 (E_RNA)
where:
Base-Base interactions energy: -120.072
where: short stacking energy: -51.230
Base-Backbone interact. energy: -0.109
local terms energy: -61.413319
where:
bonds (distance) C4'-P energy: -12.282
bonds (distance) P-C4' energy: -12.507
flat angles C4'-P-C4' energy: -13.083
flat angles P-C4'-P energy: -8.142
tors. eta vs tors. theta energy: -15.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -180.432654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.432654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.432654 (E_RNA)
where:
Base-Base interactions energy: -122.246
where: short stacking energy: -44.524
Base-Backbone interact. energy: -0.045
local terms energy: -58.141272
where:
bonds (distance) C4'-P energy: -11.484
bonds (distance) P-C4' energy: -13.057
flat angles C4'-P-C4' energy: -12.108
flat angles P-C4'-P energy: -4.317
tors. eta vs tors. theta energy: -17.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -168.166724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.166724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.166724 (E_RNA)
where:
Base-Base interactions energy: -110.729
where: short stacking energy: -43.853
Base-Backbone interact. energy: 0.119
local terms energy: -57.556535
where:
bonds (distance) C4'-P energy: -8.888
bonds (distance) P-C4' energy: -11.034
flat angles C4'-P-C4' energy: -11.767
flat angles P-C4'-P energy: -9.826
tors. eta vs tors. theta energy: -16.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -154.151193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.151193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.151193 (E_RNA)
where:
Base-Base interactions energy: -96.068
where: short stacking energy: -40.447
Base-Backbone interact. energy: -0.466
local terms energy: -57.617515
where:
bonds (distance) C4'-P energy: -12.295
bonds (distance) P-C4' energy: -14.290
flat angles C4'-P-C4' energy: -8.033
flat angles P-C4'-P energy: -10.139
tors. eta vs tors. theta energy: -12.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -156.035832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.035832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.035832 (E_RNA)
where:
Base-Base interactions energy: -100.272
where: short stacking energy: -37.911
Base-Backbone interact. energy: -0.253
local terms energy: -55.511032
where:
bonds (distance) C4'-P energy: -12.531
bonds (distance) P-C4' energy: -8.612
flat angles C4'-P-C4' energy: -12.588
flat angles P-C4'-P energy: -8.354
tors. eta vs tors. theta energy: -13.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -132.099362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.099362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.099362 (E_RNA)
where:
Base-Base interactions energy: -80.688
where: short stacking energy: -31.556
Base-Backbone interact. energy: -0.823
local terms energy: -50.588546
where:
bonds (distance) C4'-P energy: -8.672
bonds (distance) P-C4' energy: -14.075
flat angles C4'-P-C4' energy: -10.774
flat angles P-C4'-P energy: -6.539
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: 7, replica: 4
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -67.132808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.132808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.132808 (E_RNA)
where:
Base-Base interactions energy: -25.330
where: short stacking energy: -19.123
Base-Backbone interact. energy: -0.179
local terms energy: -41.623361
where:
bonds (distance) C4'-P energy: -9.710
bonds (distance) P-C4' energy: -11.429
flat angles C4'-P-C4' energy: -11.666
flat angles P-C4'-P energy: -6.839
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: 8, replica: 10
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -67.627812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.627812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.627812 (E_RNA)
where:
Base-Base interactions energy: -23.705
where: short stacking energy: -15.441
Base-Backbone interact. energy: -0.117
local terms energy: -43.805584
where:
bonds (distance) C4'-P energy: -11.636
bonds (distance) P-C4' energy: -12.473
flat angles C4'-P-C4' energy: -12.042
flat angles P-C4'-P energy: -9.009
tors. eta vs tors. theta energy: 1.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -64.363335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.363335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.363335 (E_RNA)
where:
Base-Base interactions energy: -28.979
where: short stacking energy: -5.809
Base-Backbone interact. energy: -0.641
local terms energy: -34.743205
where:
bonds (distance) C4'-P energy: -8.543
bonds (distance) P-C4' energy: -11.719
flat angles C4'-P-C4' energy: -12.588
flat angles P-C4'-P energy: -7.033
tors. eta vs tors. theta energy: 5.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -52.196516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.196516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.196516 (E_RNA)
where:
Base-Base interactions energy: -19.402
where: short stacking energy: -12.041
Base-Backbone interact. energy: -0.228
local terms energy: -32.566633
where:
bonds (distance) C4'-P energy: -10.043
bonds (distance) P-C4' energy: -11.744
flat angles C4'-P-C4' energy: -6.809
flat angles P-C4'-P energy: -4.052
tors. eta vs tors. theta energy: 0.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -180.273736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.273736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.273736 (E_RNA)
where:
Base-Base interactions energy: -113.944
where: short stacking energy: -50.234
Base-Backbone interact. energy: -0.041
local terms energy: -66.288166
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -10.417
flat angles C4'-P-C4' energy: -15.029
flat angles P-C4'-P energy: -9.545
tors. eta vs tors. theta energy: -16.564
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: 8
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -181.284178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.284178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.284178 (E_RNA)
where:
Base-Base interactions energy: -119.208
where: short stacking energy: -47.199
Base-Backbone interact. energy: -0.022
local terms energy: -62.054483
where:
bonds (distance) C4'-P energy: -11.391
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -12.383
flat angles P-C4'-P energy: -7.594
tors. eta vs tors. theta energy: -16.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -169.092942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.092942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.092942 (E_RNA)
where:
Base-Base interactions energy: -108.517
where: short stacking energy: -48.594
Base-Backbone interact. energy: 0.659
local terms energy: -61.235219
where:
bonds (distance) C4'-P energy: -11.028
bonds (distance) P-C4' energy: -13.050
flat angles C4'-P-C4' energy: -13.800
flat angles P-C4'-P energy: -9.665
tors. eta vs tors. theta energy: -13.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -167.402319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.402319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.402319 (E_RNA)
where:
Base-Base interactions energy: -111.576
where: short stacking energy: -46.629
Base-Backbone interact. energy: -0.575
local terms energy: -55.251025
where:
bonds (distance) C4'-P energy: -11.728
bonds (distance) P-C4' energy: -8.686
flat angles C4'-P-C4' energy: -11.635
flat angles P-C4'-P energy: -7.635
tors. eta vs tors. theta energy: -15.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -163.637236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.637236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.637236 (E_RNA)
where:
Base-Base interactions energy: -106.023
where: short stacking energy: -40.631
Base-Backbone interact. energy: -0.382
local terms energy: -57.232019
where:
bonds (distance) C4'-P energy: -12.672
bonds (distance) P-C4' energy: -10.418
flat angles C4'-P-C4' energy: -11.459
flat angles P-C4'-P energy: -6.485
tors. eta vs tors. theta energy: -16.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -110.386398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.386398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.386398 (E_RNA)
where:
Base-Base interactions energy: -71.090
where: short stacking energy: -26.328
Base-Backbone interact. energy: -0.006
local terms energy: -39.291039
where:
bonds (distance) C4'-P energy: -7.851
bonds (distance) P-C4' energy: -11.806
flat angles C4'-P-C4' energy: -7.095
flat angles P-C4'-P energy: -6.676
tors. eta vs tors. theta energy: -5.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -74.927874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.927874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.927874 (E_RNA)
where:
Base-Base interactions energy: -24.674
where: short stacking energy: -13.782
Base-Backbone interact. energy: -0.125
local terms energy: -50.129319
where:
bonds (distance) C4'-P energy: -14.054
bonds (distance) P-C4' energy: -14.513
flat angles C4'-P-C4' energy: -12.339
flat angles P-C4'-P energy: -6.670
tors. eta vs tors. theta energy: -2.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -65.952938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.952938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.952938 (E_RNA)
where:
Base-Base interactions energy: -24.046
where: short stacking energy: -13.508
Base-Backbone interact. energy: -0.119
local terms energy: -41.788540
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -11.958
flat angles C4'-P-C4' energy: -11.231
flat angles P-C4'-P energy: -7.934
tors. eta vs tors. theta energy: 1.202
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: 486
Temperature: 1.300000
Total energy: -63.436930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.436930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.436930 (E_RNA)
where:
Base-Base interactions energy: -18.484
where: short stacking energy: -17.341
Base-Backbone interact. energy: -0.105
local terms energy: -44.848678
where:
bonds (distance) C4'-P energy: -8.462
bonds (distance) P-C4' energy: -9.265
flat angles C4'-P-C4' energy: -13.237
flat angles P-C4'-P energy: -8.514
tors. eta vs tors. theta energy: -5.371
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: 3
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -76.109736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.109736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.109736 (E_RNA)
where:
Base-Base interactions energy: -42.354
where: short stacking energy: -22.597
Base-Backbone interact. energy: -0.225
local terms energy: -33.531303
where:
bonds (distance) C4'-P energy: -13.011
bonds (distance) P-C4' energy: -6.296
flat angles C4'-P-C4' energy: -7.991
flat angles P-C4'-P energy: -4.518
tors. eta vs tors. theta energy: -1.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -190.516089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.516089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.516089 (E_RNA)
where:
Base-Base interactions energy: -123.700
where: short stacking energy: -49.197
Base-Backbone interact. energy: -0.069
local terms energy: -66.747425
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -13.469
flat angles C4'-P-C4' energy: -14.913
flat angles P-C4'-P energy: -9.714
tors. eta vs tors. theta energy: -15.783
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: 5
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -170.537782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.537782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.537782 (E_RNA)
where:
Base-Base interactions energy: -109.009
where: short stacking energy: -40.958
Base-Backbone interact. energy: -0.004
local terms energy: -61.524272
where:
bonds (distance) C4'-P energy: -11.960
bonds (distance) P-C4' energy: -12.723
flat angles C4'-P-C4' energy: -11.100
flat angles P-C4'-P energy: -11.317
tors. eta vs tors. theta energy: -14.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -172.583680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.583680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.583680 (E_RNA)
where:
Base-Base interactions energy: -106.914
where: short stacking energy: -36.617
Base-Backbone interact. energy: -0.030
local terms energy: -65.639062
where:
bonds (distance) C4'-P energy: -12.460
bonds (distance) P-C4' energy: -13.935
flat angles C4'-P-C4' energy: -15.232
flat angles P-C4'-P energy: -7.138
tors. eta vs tors. theta energy: -16.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -173.752064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.752064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.752064 (E_RNA)
where:
Base-Base interactions energy: -117.892
where: short stacking energy: -48.587
Base-Backbone interact. energy: -0.001
local terms energy: -55.859177
where:
bonds (distance) C4'-P energy: -10.443
bonds (distance) P-C4' energy: -9.500
flat angles C4'-P-C4' energy: -11.973
flat angles P-C4'-P energy: -7.456
tors. eta vs tors. theta energy: -16.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -130.258039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.258039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.258039 (E_RNA)
where:
Base-Base interactions energy: -82.229
where: short stacking energy: -30.333
Base-Backbone interact. energy: 0.917
local terms energy: -48.945459
where:
bonds (distance) C4'-P energy: -10.538
bonds (distance) P-C4' energy: -13.100
flat angles C4'-P-C4' energy: -10.034
flat angles P-C4'-P energy: -8.172
tors. eta vs tors. theta energy: -7.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -66.499374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.499374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.499374 (E_RNA)
where:
Base-Base interactions energy: -17.631
where: short stacking energy: -17.631
Base-Backbone interact. energy: -0.042
local terms energy: -48.826794
where:
bonds (distance) C4'-P energy: -11.297
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -12.469
flat angles P-C4'-P energy: -7.512
tors. eta vs tors. theta energy: -2.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -71.870976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.870976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.870976 (E_RNA)
where:
Base-Base interactions energy: -32.834
where: short stacking energy: -15.624
Base-Backbone interact. energy: -0.351
local terms energy: -38.685867
where:
bonds (distance) C4'-P energy: -11.314
bonds (distance) P-C4' energy: -9.655
flat angles C4'-P-C4' energy: -10.198
flat angles P-C4'-P energy: -6.416
tors. eta vs tors. theta energy: -1.102
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: 487
Temperature: 1.250000
Total energy: -62.062813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.062813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.062813 (E_RNA)
where:
Base-Base interactions energy: -18.231
where: short stacking energy: -16.205
Base-Backbone interact. energy: 0.232
local terms energy: -44.063385
where:
bonds (distance) C4'-P energy: -10.705
bonds (distance) P-C4' energy: -11.557
flat angles C4'-P-C4' energy: -11.150
flat angles P-C4'-P energy: -8.898
tors. eta vs tors. theta energy: -1.754
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: 9, replica: 4
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -65.455210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.455210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.455210 (E_RNA)
where:
Base-Base interactions energy: -18.667
where: short stacking energy: -18.592
Base-Backbone interact. energy: -0.263
local terms energy: -46.525950
where:
bonds (distance) C4'-P energy: -13.305
bonds (distance) P-C4' energy: -13.165
flat angles C4'-P-C4' energy: -13.933
flat angles P-C4'-P energy: -5.199
tors. eta vs tors. theta energy: -0.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -68.904025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.904025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.904025 (E_RNA)
where:
Base-Base interactions energy: -22.120
where: short stacking energy: -16.915
Base-Backbone interact. energy: -0.154
local terms energy: -46.629336
where:
bonds (distance) C4'-P energy: -12.179
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -10.582
flat angles P-C4'-P energy: -7.263
tors. eta vs tors. theta energy: -2.193
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: 488
Temperature: 0.900000
Total energy: -177.527975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.527975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.527975 (E_RNA)
where:
Base-Base interactions energy: -119.631
where: short stacking energy: -45.673
Base-Backbone interact. energy: -0.005
local terms energy: -57.892762
where:
bonds (distance) C4'-P energy: -11.612
bonds (distance) P-C4' energy: -12.352
flat angles C4'-P-C4' energy: -12.264
flat angles P-C4'-P energy: -7.985
tors. eta vs tors. theta energy: -13.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -177.378284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.378284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.378284 (E_RNA)
where:
Base-Base interactions energy: -116.313
where: short stacking energy: -46.689
Base-Backbone interact. energy: -0.555
local terms energy: -60.510776
where:
bonds (distance) C4'-P energy: -12.328
bonds (distance) P-C4' energy: -12.353
flat angles C4'-P-C4' energy: -11.929
flat angles P-C4'-P energy: -8.025
tors. eta vs tors. theta energy: -15.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -176.910334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.910334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.910334 (E_RNA)
where:
Base-Base interactions energy: -118.723
where: short stacking energy: -46.202
Base-Backbone interact. energy: 0.208
local terms energy: -58.395089
where:
bonds (distance) C4'-P energy: -10.990
bonds (distance) P-C4' energy: -7.575
flat angles C4'-P-C4' energy: -14.127
flat angles P-C4'-P energy: -10.253
tors. eta vs tors. theta energy: -15.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -167.537939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.537939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.537939 (E_RNA)
where:
Base-Base interactions energy: -106.882
where: short stacking energy: -46.500
Base-Backbone interact. energy: -0.069
local terms energy: -60.587137
where:
bonds (distance) C4'-P energy: -11.251
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -11.856
flat angles P-C4'-P energy: -10.123
tors. eta vs tors. theta energy: -14.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -107.302453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.302453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.302453 (E_RNA)
where:
Base-Base interactions energy: -55.529
where: short stacking energy: -29.981
Base-Backbone interact. energy: -0.143
local terms energy: -51.631000
where:
bonds (distance) C4'-P energy: -12.721
bonds (distance) P-C4' energy: -11.639
flat angles C4'-P-C4' energy: -13.535
flat angles P-C4'-P energy: -7.028
tors. eta vs tors. theta energy: -6.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -127.452001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.452001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.452001 (E_RNA)
where:
Base-Base interactions energy: -82.015
where: short stacking energy: -28.554
Base-Backbone interact. energy: -0.168
local terms energy: -45.268389
where:
bonds (distance) C4'-P energy: -8.825
bonds (distance) P-C4' energy: -9.473
flat angles C4'-P-C4' energy: -12.038
flat angles P-C4'-P energy: -6.626
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: 7, replica: 6
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -66.480472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.480472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.480472 (E_RNA)
where:
Base-Base interactions energy: -23.200
where: short stacking energy: -15.259
Base-Backbone interact. energy: -0.015
local terms energy: -43.265294
where:
bonds (distance) C4'-P energy: -11.053
bonds (distance) P-C4' energy: -12.691
flat angles C4'-P-C4' energy: -9.002
flat angles P-C4'-P energy: -3.955
tors. eta vs tors. theta energy: -6.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -74.005446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.005446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.005446 (E_RNA)
where:
Base-Base interactions energy: -43.497
where: short stacking energy: -10.453
Base-Backbone interact. energy: 0.090
local terms energy: -30.598045
where:
bonds (distance) C4'-P energy: -9.091
bonds (distance) P-C4' energy: -8.999
flat angles C4'-P-C4' energy: -10.697
flat angles P-C4'-P energy: -6.527
tors. eta vs tors. theta energy: 4.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -73.114073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.114073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.114073 (E_RNA)
where:
Base-Base interactions energy: -29.234
where: short stacking energy: -14.504
Base-Backbone interact. energy: -0.037
local terms energy: -43.843568
where:
bonds (distance) C4'-P energy: -11.827
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -8.540
flat angles P-C4'-P energy: -8.890
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: 10, replica: 3
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -57.505346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.505346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.505346 (E_RNA)
where:
Base-Base interactions energy: -18.683
where: short stacking energy: -16.156
Base-Backbone interact. energy: 0.819
local terms energy: -39.641386
where:
bonds (distance) C4'-P energy: -6.338
bonds (distance) P-C4' energy: -15.140
flat angles C4'-P-C4' energy: -6.755
flat angles P-C4'-P energy: -7.542
tors. eta vs tors. theta energy: -3.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -176.773993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.773993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.773993 (E_RNA)
where:
Base-Base interactions energy: -115.723
where: short stacking energy: -41.422
Base-Backbone interact. energy: -0.091
local terms energy: -60.959511
where:
bonds (distance) C4'-P energy: -10.450
bonds (distance) P-C4' energy: -14.668
flat angles C4'-P-C4' energy: -13.644
flat angles P-C4'-P energy: -8.987
tors. eta vs tors. theta energy: -13.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -180.425017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.425017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.425017 (E_RNA)
where:
Base-Base interactions energy: -116.789
where: short stacking energy: -51.159
Base-Backbone interact. energy: -0.014
local terms energy: -63.621386
where:
bonds (distance) C4'-P energy: -11.388
bonds (distance) P-C4' energy: -12.616
flat angles C4'-P-C4' energy: -12.961
flat angles P-C4'-P energy: -10.179
tors. eta vs tors. theta energy: -16.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -178.828930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.828930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.828930 (E_RNA)
where:
Base-Base interactions energy: -117.236
where: short stacking energy: -45.211
Base-Backbone interact. energy: -0.003
local terms energy: -61.589905
where:
bonds (distance) C4'-P energy: -12.708
bonds (distance) P-C4' energy: -12.386
flat angles C4'-P-C4' energy: -12.443
flat angles P-C4'-P energy: -8.275
tors. eta vs tors. theta energy: -15.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -168.601842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.601842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.601842 (E_RNA)
where:
Base-Base interactions energy: -106.184
where: short stacking energy: -46.928
Base-Backbone interact. energy: -0.004
local terms energy: -62.414016
where:
bonds (distance) C4'-P energy: -12.564
bonds (distance) P-C4' energy: -13.534
flat angles C4'-P-C4' energy: -11.462
flat angles P-C4'-P energy: -10.495
tors. eta vs tors. theta energy: -14.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -82.443883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.443883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.443883 (E_RNA)
where:
Base-Base interactions energy: -31.883
where: short stacking energy: -23.879
Base-Backbone interact. energy: -0.017
local terms energy: -50.543079
where:
bonds (distance) C4'-P energy: -11.229
bonds (distance) P-C4' energy: -10.842
flat angles C4'-P-C4' energy: -13.853
flat angles P-C4'-P energy: -8.395
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: 6, replica: 7
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -115.293222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.293222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.293222 (E_RNA)
where:
Base-Base interactions energy: -69.753
where: short stacking energy: -31.033
Base-Backbone interact. energy: -0.137
local terms energy: -45.403147
where:
bonds (distance) C4'-P energy: -10.059
bonds (distance) P-C4' energy: -14.005
flat angles C4'-P-C4' energy: -4.971
flat angles P-C4'-P energy: -4.184
tors. eta vs tors. theta energy: -12.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -69.713284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.713284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.713284 (E_RNA)
where:
Base-Base interactions energy: -30.258
where: short stacking energy: -21.994
Base-Backbone interact. energy: -0.421
local terms energy: -39.034251
where:
bonds (distance) C4'-P energy: -7.637
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -9.121
flat angles P-C4'-P energy: -7.473
tors. eta vs tors. theta energy: -0.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -66.364568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.364568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.364568 (E_RNA)
where:
Base-Base interactions energy: -22.908
where: short stacking energy: -22.908
Base-Backbone interact. energy: -0.261
local terms energy: -43.195614
where:
bonds (distance) C4'-P energy: -8.895
bonds (distance) P-C4' energy: -12.631
flat angles C4'-P-C4' energy: -10.946
flat angles P-C4'-P energy: -8.048
tors. eta vs tors. theta energy: -2.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -59.843977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.843977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.843977 (E_RNA)
where:
Base-Base interactions energy: -19.699
where: short stacking energy: -16.765
Base-Backbone interact. energy: 0.051
local terms energy: -40.195799
where:
bonds (distance) C4'-P energy: -11.376
bonds (distance) P-C4' energy: -8.806
flat angles C4'-P-C4' energy: -9.099
flat angles P-C4'-P energy: -5.018
tors. eta vs tors. theta energy: -5.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -57.396402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.396402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.396402 (E_RNA)
where:
Base-Base interactions energy: -15.335
where: short stacking energy: -15.335
Base-Backbone interact. energy: -0.209
local terms energy: -41.852499
where:
bonds (distance) C4'-P energy: -9.405
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: -10.131
flat angles P-C4'-P energy: -5.173
tors. eta vs tors. theta energy: -3.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -178.845214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.845214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.845214 (E_RNA)
where:
Base-Base interactions energy: -113.803
where: short stacking energy: -43.093
Base-Backbone interact. energy: -0.247
local terms energy: -64.795485
where:
bonds (distance) C4'-P energy: -13.325
bonds (distance) P-C4' energy: -13.046
flat angles C4'-P-C4' energy: -14.258
flat angles P-C4'-P energy: -8.416
tors. eta vs tors. theta energy: -15.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -176.960669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.960669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.960669 (E_RNA)
where:
Base-Base interactions energy: -115.322
where: short stacking energy: -53.017
Base-Backbone interact. energy: -0.033
local terms energy: -61.605180
where:
bonds (distance) C4'-P energy: -13.060
bonds (distance) P-C4' energy: -9.087
flat angles C4'-P-C4' energy: -12.283
flat angles P-C4'-P energy: -9.652
tors. eta vs tors. theta energy: -17.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -180.878563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.878563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.878563 (E_RNA)
where:
Base-Base interactions energy: -117.391
where: short stacking energy: -47.972
Base-Backbone interact. energy: 0.090
local terms energy: -63.576855
where:
bonds (distance) C4'-P energy: -12.663
bonds (distance) P-C4' energy: -15.566
flat angles C4'-P-C4' energy: -13.824
flat angles P-C4'-P energy: -7.538
tors. eta vs tors. theta energy: -13.986
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: 490
Temperature: 1.050000
Total energy: -170.277353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.277353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.277353 (E_RNA)
where:
Base-Base interactions energy: -108.289
where: short stacking energy: -39.219
Base-Backbone interact. energy: -0.099
local terms energy: -61.889177
where:
bonds (distance) C4'-P energy: -9.248
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -13.218
flat angles P-C4'-P energy: -7.508
tors. eta vs tors. theta energy: -17.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -89.091243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.091243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.091243 (E_RNA)
where:
Base-Base interactions energy: -43.305
where: short stacking energy: -17.664
Base-Backbone interact. energy: -0.021
local terms energy: -45.765327
where:
bonds (distance) C4'-P energy: -11.355
bonds (distance) P-C4' energy: -10.344
flat angles C4'-P-C4' energy: -12.614
flat angles P-C4'-P energy: -6.069
tors. eta vs tors. theta energy: -5.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -73.957710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.957710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.957710 (E_RNA)
where:
Base-Base interactions energy: -25.872
where: short stacking energy: -25.872
Base-Backbone interact. energy: -0.124
local terms energy: -47.962106
where:
bonds (distance) C4'-P energy: -9.288
bonds (distance) P-C4' energy: -14.196
flat angles C4'-P-C4' energy: -10.624
flat angles P-C4'-P energy: -8.769
tors. eta vs tors. theta energy: -5.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -63.844244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.844244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.844244 (E_RNA)
where:
Base-Base interactions energy: -27.280
where: short stacking energy: -7.483
Base-Backbone interact. energy: -0.379
local terms energy: -36.185099
where:
bonds (distance) C4'-P energy: -14.029
bonds (distance) P-C4' energy: -12.656
flat angles C4'-P-C4' energy: -8.551
flat angles P-C4'-P energy: -5.061
tors. eta vs tors. theta energy: 4.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -73.181542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.181542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.181542 (E_RNA)
where:
Base-Base interactions energy: -29.580
where: short stacking energy: -14.915
Base-Backbone interact. energy: -0.161
local terms energy: -43.441386
where:
bonds (distance) C4'-P energy: -11.226
bonds (distance) P-C4' energy: -11.194
flat angles C4'-P-C4' energy: -13.200
flat angles P-C4'-P energy: -7.970
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: 9, replica: 3
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -65.194043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.194043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.194043 (E_RNA)
where:
Base-Base interactions energy: -32.185
where: short stacking energy: -15.026
Base-Backbone interact. energy: -0.096
local terms energy: -32.913761
where:
bonds (distance) C4'-P energy: -11.127
bonds (distance) P-C4' energy: -11.468
flat angles C4'-P-C4' energy: -4.103
flat angles P-C4'-P energy: -5.759
tors. eta vs tors. theta energy: -0.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -54.397958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.397958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.397958 (E_RNA)
where:
Base-Base interactions energy: -17.443
where: short stacking energy: -11.863
Base-Backbone interact. energy: -0.295
local terms energy: -36.659931
where:
bonds (distance) C4'-P energy: -11.553
bonds (distance) P-C4' energy: -13.536
flat angles C4'-P-C4' energy: -7.884
flat angles P-C4'-P energy: -7.070
tors. eta vs tors. theta energy: 3.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -180.251606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.251606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.251606 (E_RNA)
where:
Base-Base interactions energy: -117.210
where: short stacking energy: -40.638
Base-Backbone interact. energy: 0.231
local terms energy: -63.272369
where:
bonds (distance) C4'-P energy: -13.827
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -12.722
flat angles P-C4'-P energy: -8.519
tors. eta vs tors. theta energy: -13.387
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: 2, replica: 8
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -177.770800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.770800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.770800 (E_RNA)
where:
Base-Base interactions energy: -118.424
where: short stacking energy: -45.448
Base-Backbone interact. energy: -0.121
local terms energy: -59.225715
where:
bonds (distance) C4'-P energy: -9.881
bonds (distance) P-C4' energy: -12.684
flat angles C4'-P-C4' energy: -11.283
flat angles P-C4'-P energy: -9.512
tors. eta vs tors. theta energy: -15.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -177.715802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.715802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.715802 (E_RNA)
where:
Base-Base interactions energy: -112.468
where: short stacking energy: -43.482
Base-Backbone interact. energy: -0.195
local terms energy: -65.053244
where:
bonds (distance) C4'-P energy: -12.086
bonds (distance) P-C4' energy: -12.398
flat angles C4'-P-C4' energy: -13.595
flat angles P-C4'-P energy: -10.102
tors. eta vs tors. theta energy: -16.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -172.773175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.773175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.773175 (E_RNA)
where:
Base-Base interactions energy: -110.347
where: short stacking energy: -43.364
Base-Backbone interact. energy: -0.213
local terms energy: -62.214061
where:
bonds (distance) C4'-P energy: -13.992
bonds (distance) P-C4' energy: -8.538
flat angles C4'-P-C4' energy: -13.635
flat angles P-C4'-P energy: -9.863
tors. eta vs tors. theta energy: -16.186
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: 7
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -85.547150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.547150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.547150 (E_RNA)
where:
Base-Base interactions energy: -32.639
where: short stacking energy: -31.768
Base-Backbone interact. energy: -0.068
local terms energy: -52.841028
where:
bonds (distance) C4'-P energy: -8.182
bonds (distance) P-C4' energy: -10.669
flat angles C4'-P-C4' energy: -14.071
flat angles P-C4'-P energy: -9.716
tors. eta vs tors. theta energy: -10.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -70.097765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.097765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.097765 (E_RNA)
where:
Base-Base interactions energy: -24.973
where: short stacking energy: -18.117
Base-Backbone interact. energy: -0.193
local terms energy: -44.931179
where:
bonds (distance) C4'-P energy: -14.253
bonds (distance) P-C4' energy: -14.869
flat angles C4'-P-C4' energy: -6.508
flat angles P-C4'-P energy: -6.819
tors. eta vs tors. theta energy: -2.482
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: 10
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -61.967157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.967157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.967157 (E_RNA)
where:
Base-Base interactions energy: -17.077
where: short stacking energy: -10.968
Base-Backbone interact. energy: -0.342
local terms energy: -44.547661
where:
bonds (distance) C4'-P energy: -11.532
bonds (distance) P-C4' energy: -14.357
flat angles C4'-P-C4' energy: -8.488
flat angles P-C4'-P energy: -7.466
tors. eta vs tors. theta energy: -2.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -65.449254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.449254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.449254 (E_RNA)
where:
Base-Base interactions energy: -16.281
where: short stacking energy: -16.113
Base-Backbone interact. energy: -0.041
local terms energy: -49.126693
where:
bonds (distance) C4'-P energy: -12.795
bonds (distance) P-C4' energy: -13.022
flat angles C4'-P-C4' energy: -11.825
flat angles P-C4'-P energy: -6.419
tors. eta vs tors. theta energy: -5.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -65.658401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.658401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.658401 (E_RNA)
where:
Base-Base interactions energy: -26.680
where: short stacking energy: -5.709
Base-Backbone interact. energy: -0.204
local terms energy: -38.774564
where:
bonds (distance) C4'-P energy: -9.658
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -9.009
flat angles P-C4'-P energy: -7.539
tors. eta vs tors. theta energy: 1.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -56.818309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.818309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.818309 (E_RNA)
where:
Base-Base interactions energy: -13.762
where: short stacking energy: -7.006
Base-Backbone interact. energy: -0.236
local terms energy: -42.820489
where:
bonds (distance) C4'-P energy: -7.608
bonds (distance) P-C4' energy: -14.097
flat angles C4'-P-C4' energy: -12.751
flat angles P-C4'-P energy: -2.737
tors. eta vs tors. theta energy: -5.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -185.038330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.038330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.038330 (E_RNA)
where:
Base-Base interactions energy: -117.919
where: short stacking energy: -47.785
Base-Backbone interact. energy: -0.402
local terms energy: -66.717340
where:
bonds (distance) C4'-P energy: -14.286
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -13.991
flat angles P-C4'-P energy: -8.395
tors. eta vs tors. theta energy: -16.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -181.070172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.070172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.070172 (E_RNA)
where:
Base-Base interactions energy: -117.135
where: short stacking energy: -49.939
Base-Backbone interact. energy: -0.075
local terms energy: -63.860581
where:
bonds (distance) C4'-P energy: -11.898
bonds (distance) P-C4' energy: -12.588
flat angles C4'-P-C4' energy: -13.039
flat angles P-C4'-P energy: -11.249
tors. eta vs tors. theta energy: -15.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -174.260277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.260277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.260277 (E_RNA)
where:
Base-Base interactions energy: -115.798
where: short stacking energy: -46.125
Base-Backbone interact. energy: -0.004
local terms energy: -58.458166
where:
bonds (distance) C4'-P energy: -11.806
bonds (distance) P-C4' energy: -10.281
flat angles C4'-P-C4' energy: -12.223
flat angles P-C4'-P energy: -9.064
tors. eta vs tors. theta energy: -15.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -168.998588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.998588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.998588 (E_RNA)
where:
Base-Base interactions energy: -117.974
where: short stacking energy: -44.175
Base-Backbone interact. energy: -0.086
local terms energy: -50.938823
where:
bonds (distance) C4'-P energy: -9.595
bonds (distance) P-C4' energy: -9.307
flat angles C4'-P-C4' energy: -11.787
flat angles P-C4'-P energy: -6.242
tors. eta vs tors. theta energy: -14.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -121.793194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.793194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.793194 (E_RNA)
where:
Base-Base interactions energy: -79.055
where: short stacking energy: -22.513
Base-Backbone interact. energy: 0.980
local terms energy: -43.718336
where:
bonds (distance) C4'-P energy: -12.858
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -6.676
flat angles P-C4'-P energy: -5.544
tors. eta vs tors. theta energy: -5.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -70.697590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.697590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.697590 (E_RNA)
where:
Base-Base interactions energy: -21.401
where: short stacking energy: -21.401
Base-Backbone interact. energy: -0.020
local terms energy: -49.276862
where:
bonds (distance) C4'-P energy: -11.029
bonds (distance) P-C4' energy: -12.652
flat angles C4'-P-C4' energy: -12.737
flat angles P-C4'-P energy: -7.361
tors. eta vs tors. theta energy: -5.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -65.243671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.243671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.243671 (E_RNA)
where:
Base-Base interactions energy: -17.817
where: short stacking energy: -13.019
Base-Backbone interact. energy: -0.044
local terms energy: -47.382629
where:
bonds (distance) C4'-P energy: -9.273
bonds (distance) P-C4' energy: -14.876
flat angles C4'-P-C4' energy: -10.366
flat angles P-C4'-P energy: -9.605
tors. eta vs tors. theta energy: -3.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -68.939685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.939685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.939685 (E_RNA)
where:
Base-Base interactions energy: -39.836
where: short stacking energy: -15.261
Base-Backbone interact. energy: -0.120
local terms energy: -28.982880
where:
bonds (distance) C4'-P energy: -10.518
bonds (distance) P-C4' energy: -4.774
flat angles C4'-P-C4' energy: -8.018
flat angles P-C4'-P energy: -6.421
tors. eta vs tors. theta energy: 0.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -63.156769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.156769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.156769 (E_RNA)
where:
Base-Base interactions energy: -21.445
where: short stacking energy: -16.567
Base-Backbone interact. energy: -0.093
local terms energy: -41.618525
where:
bonds (distance) C4'-P energy: -14.100
bonds (distance) P-C4' energy: -10.430
flat angles C4'-P-C4' energy: -8.178
flat angles P-C4'-P energy: -6.403
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: 4
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -63.553054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.553054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.553054 (E_RNA)
where:
Base-Base interactions energy: -21.079
where: short stacking energy: -9.214
Base-Backbone interact. energy: -0.160
local terms energy: -42.314545
where:
bonds (distance) C4'-P energy: -9.633
bonds (distance) P-C4' energy: -13.799
flat angles C4'-P-C4' energy: -10.069
flat angles P-C4'-P energy: -8.783
tors. eta vs tors. theta energy: -0.030
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: 1, replica: 8
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -183.037380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.037380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.037380 (E_RNA)
where:
Base-Base interactions energy: -115.006
where: short stacking energy: -50.527
Base-Backbone interact. energy: -0.001
local terms energy: -68.030520
where:
bonds (distance) C4'-P energy: -13.495
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -13.623
flat angles P-C4'-P energy: -10.685
tors. eta vs tors. theta energy: -16.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -177.430571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.430571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.430571 (E_RNA)
where:
Base-Base interactions energy: -114.659
where: short stacking energy: -39.650
Base-Backbone interact. energy: -0.231
local terms energy: -62.541029
where:
bonds (distance) C4'-P energy: -11.558
bonds (distance) P-C4' energy: -11.485
flat angles C4'-P-C4' energy: -14.924
flat angles P-C4'-P energy: -10.419
tors. eta vs tors. theta energy: -14.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -171.981252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.981252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.981252 (E_RNA)
where:
Base-Base interactions energy: -111.624
where: short stacking energy: -40.904
Base-Backbone interact. energy: 0.783
local terms energy: -61.140379
where:
bonds (distance) C4'-P energy: -13.114
bonds (distance) P-C4' energy: -9.384
flat angles C4'-P-C4' energy: -11.063
flat angles P-C4'-P energy: -9.465
tors. eta vs tors. theta energy: -18.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -170.121911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.121911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.121911 (E_RNA)
where:
Base-Base interactions energy: -112.355
where: short stacking energy: -38.973
Base-Backbone interact. energy: -0.026
local terms energy: -57.740475
where:
bonds (distance) C4'-P energy: -9.463
bonds (distance) P-C4' energy: -12.423
flat angles C4'-P-C4' energy: -13.679
flat angles P-C4'-P energy: -8.346
tors. eta vs tors. theta energy: -13.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -118.302829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.302829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.302829 (E_RNA)
where:
Base-Base interactions energy: -75.990
where: short stacking energy: -26.520
Base-Backbone interact. energy: -0.253
local terms energy: -42.059708
where:
bonds (distance) C4'-P energy: -12.526
bonds (distance) P-C4' energy: -12.581
flat angles C4'-P-C4' energy: -8.984
flat angles P-C4'-P energy: -4.479
tors. eta vs tors. theta energy: -3.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -98.554466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.554466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.554466 (E_RNA)
where:
Base-Base interactions energy: -59.556
where: short stacking energy: -20.957
Base-Backbone interact. energy: -0.155
local terms energy: -38.843568
where:
bonds (distance) C4'-P energy: -6.427
bonds (distance) P-C4' energy: -11.728
flat angles C4'-P-C4' energy: -9.994
flat angles P-C4'-P energy: -7.232
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: 7, replica: 3
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -63.557037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.557037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.557037 (E_RNA)
where:
Base-Base interactions energy: -21.660
where: short stacking energy: -11.481
Base-Backbone interact. energy: -0.222
local terms energy: -41.674726
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -12.759
flat angles C4'-P-C4' energy: -9.702
flat angles P-C4'-P energy: -5.721
tors. eta vs tors. theta energy: 0.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -73.313537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.313537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.313537 (E_RNA)
where:
Base-Base interactions energy: -33.642
where: short stacking energy: -3.821
Base-Backbone interact. energy: -0.209
local terms energy: -39.462048
where:
bonds (distance) C4'-P energy: -12.912
bonds (distance) P-C4' energy: -13.078
flat angles C4'-P-C4' energy: -9.397
flat angles P-C4'-P energy: -7.952
tors. eta vs tors. theta energy: 3.877
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: 9, replica: 10
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -97.662374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.662374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.662374 (E_RNA)
where:
Base-Base interactions energy: -52.578
where: short stacking energy: -21.855
Base-Backbone interact. energy: -0.141
local terms energy: -44.942644
where:
bonds (distance) C4'-P energy: -9.884
bonds (distance) P-C4' energy: -14.217
flat angles C4'-P-C4' energy: -10.868
flat angles P-C4'-P energy: -1.999
tors. eta vs tors. theta energy: -7.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -58.400072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.400072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.400072 (E_RNA)
where:
Base-Base interactions energy: -18.563
where: short stacking energy: -11.539
Base-Backbone interact. energy: -0.093
local terms energy: -39.743510
where:
bonds (distance) C4'-P energy: -11.777
bonds (distance) P-C4' energy: -11.217
flat angles C4'-P-C4' energy: -5.520
flat angles P-C4'-P energy: -8.557
tors. eta vs tors. theta energy: -2.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -184.885892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.885892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.885892 (E_RNA)
where:
Base-Base interactions energy: -118.108
where: short stacking energy: -52.701
Base-Backbone interact. energy: -0.023
local terms energy: -66.755258
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -13.603
flat angles C4'-P-C4' energy: -13.232
flat angles P-C4'-P energy: -9.321
tors. eta vs tors. theta energy: -16.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -180.436070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.436070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.436070 (E_RNA)
where:
Base-Base interactions energy: -115.098
where: short stacking energy: -52.186
Base-Backbone interact. energy: -0.007
local terms energy: -65.330897
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -10.408
flat angles C4'-P-C4' energy: -12.827
flat angles P-C4'-P energy: -9.674
tors. eta vs tors. theta energy: -19.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -173.632218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.632218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.632218 (E_RNA)
where:
Base-Base interactions energy: -113.920
where: short stacking energy: -46.106
Base-Backbone interact. energy: -0.399
local terms energy: -59.312510
where:
bonds (distance) C4'-P energy: -12.671
bonds (distance) P-C4' energy: -12.018
flat angles C4'-P-C4' energy: -11.476
flat angles P-C4'-P energy: -8.388
tors. eta vs tors. theta energy: -14.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -171.122228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.122228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.122228 (E_RNA)
where:
Base-Base interactions energy: -111.948
where: short stacking energy: -42.417
Base-Backbone interact. energy: -0.030
local terms energy: -59.143549
where:
bonds (distance) C4'-P energy: -10.043
bonds (distance) P-C4' energy: -10.575
flat angles C4'-P-C4' energy: -13.872
flat angles P-C4'-P energy: -9.363
tors. eta vs tors. theta energy: -15.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -77.475809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.475809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.475809 (E_RNA)
where:
Base-Base interactions energy: -32.518
where: short stacking energy: -14.281
Base-Backbone interact. energy: -0.148
local terms energy: -44.809912
where:
bonds (distance) C4'-P energy: -12.005
bonds (distance) P-C4' energy: -14.671
flat angles C4'-P-C4' energy: -12.052
flat angles P-C4'-P energy: -4.737
tors. eta vs tors. theta energy: -1.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -73.114005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.114005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.114005 (E_RNA)
where:
Base-Base interactions energy: -24.888
where: short stacking energy: -18.852
Base-Backbone interact. energy: -0.093
local terms energy: -48.132706
where:
bonds (distance) C4'-P energy: -9.686
bonds (distance) P-C4' energy: -14.097
flat angles C4'-P-C4' energy: -10.361
flat angles P-C4'-P energy: -9.184
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: 7, replica: 6
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -62.268355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.268355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.268355 (E_RNA)
where:
Base-Base interactions energy: -25.013
where: short stacking energy: -12.463
Base-Backbone interact. energy: -0.070
local terms energy: -37.185805
where:
bonds (distance) C4'-P energy: -5.141
bonds (distance) P-C4' energy: -14.125
flat angles C4'-P-C4' energy: -10.668
flat angles P-C4'-P energy: -8.181
tors. eta vs tors. theta energy: 0.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -74.385405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.385405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.385405 (E_RNA)
where:
Base-Base interactions energy: -38.255
where: short stacking energy: -11.604
Base-Backbone interact. energy: -0.446
local terms energy: -35.684511
where:
bonds (distance) C4'-P energy: -9.907
bonds (distance) P-C4' energy: -9.895
flat angles C4'-P-C4' energy: -8.012
flat angles P-C4'-P energy: -8.321
tors. eta vs tors. theta energy: 0.452
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: 10
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -90.469915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.469915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.469915 (E_RNA)
where:
Base-Base interactions energy: -51.359
where: short stacking energy: -21.674
Base-Backbone interact. energy: -0.095
local terms energy: -39.016280
where:
bonds (distance) C4'-P energy: -9.563
bonds (distance) P-C4' energy: -11.387
flat angles C4'-P-C4' energy: -6.586
flat angles P-C4'-P energy: -4.924
tors. eta vs tors. theta energy: -6.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -69.317070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.317070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.317070 (E_RNA)
where:
Base-Base interactions energy: -34.199
where: short stacking energy: -17.649
Base-Backbone interact. energy: -0.123
local terms energy: -34.995060
where:
bonds (distance) C4'-P energy: -10.443
bonds (distance) P-C4' energy: -11.919
flat angles C4'-P-C4' energy: -5.816
flat angles P-C4'-P energy: -9.230
tors. eta vs tors. theta energy: 2.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -178.357015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.357015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.357015 (E_RNA)
where:
Base-Base interactions energy: -119.722
where: short stacking energy: -46.009
Base-Backbone interact. energy: -0.006
local terms energy: -58.628974
where:
bonds (distance) C4'-P energy: -11.169
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -11.981
flat angles P-C4'-P energy: -6.817
tors. eta vs tors. theta energy: -15.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -182.359324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.359324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.359324 (E_RNA)
where:
Base-Base interactions energy: -117.823
where: short stacking energy: -46.594
Base-Backbone interact. energy: -0.006
local terms energy: -64.530740
where:
bonds (distance) C4'-P energy: -14.111
bonds (distance) P-C4' energy: -11.856
flat angles C4'-P-C4' energy: -10.948
flat angles P-C4'-P energy: -8.978
tors. eta vs tors. theta energy: -18.638
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: 8
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -171.954143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.954143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.954143 (E_RNA)
where:
Base-Base interactions energy: -116.296
where: short stacking energy: -37.962
Base-Backbone interact. energy: -0.025
local terms energy: -55.633449
where:
bonds (distance) C4'-P energy: -13.367
bonds (distance) P-C4' energy: -13.705
flat angles C4'-P-C4' energy: -12.702
flat angles P-C4'-P energy: -4.201
tors. eta vs tors. theta energy: -11.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -171.115236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.115236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.115236 (E_RNA)
where:
Base-Base interactions energy: -110.781
where: short stacking energy: -46.771
Base-Backbone interact. energy: -0.023
local terms energy: -60.311088
where:
bonds (distance) C4'-P energy: -12.281
bonds (distance) P-C4' energy: -10.662
flat angles C4'-P-C4' energy: -13.135
flat angles P-C4'-P energy: -7.955
tors. eta vs tors. theta energy: -16.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -74.594257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.594257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.594257 (E_RNA)
where:
Base-Base interactions energy: -33.984
where: short stacking energy: -14.747
Base-Backbone interact. energy: 1.772
local terms energy: -42.381763
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -13.352
flat angles C4'-P-C4' energy: -10.783
flat angles P-C4'-P energy: -5.560
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: 6, replica: 9
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -85.163743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.163743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.163743 (E_RNA)
where:
Base-Base interactions energy: -32.611
where: short stacking energy: -23.679
Base-Backbone interact. energy: -0.132
local terms energy: -52.421643
where:
bonds (distance) C4'-P energy: -12.212
bonds (distance) P-C4' energy: -10.666
flat angles C4'-P-C4' energy: -14.014
flat angles P-C4'-P energy: -6.108
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: 495
Temperature: 1.200000
Total energy: -67.938088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.938088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.938088 (E_RNA)
where:
Base-Base interactions energy: -26.008
where: short stacking energy: -16.832
Base-Backbone interact. energy: -0.138
local terms energy: -41.792014
where:
bonds (distance) C4'-P energy: -9.914
bonds (distance) P-C4' energy: -12.240
flat angles C4'-P-C4' energy: -13.351
flat angles P-C4'-P energy: -3.251
tors. eta vs tors. theta energy: -3.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -69.865134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.865134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.865134 (E_RNA)
where:
Base-Base interactions energy: -30.521
where: short stacking energy: -14.472
Base-Backbone interact. energy: 0.457
local terms energy: -39.800291
where:
bonds (distance) C4'-P energy: -9.757
bonds (distance) P-C4' energy: -10.568
flat angles C4'-P-C4' energy: -13.276
flat angles P-C4'-P energy: -6.466
tors. eta vs tors. theta energy: 0.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -74.197873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.197873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.197873 (E_RNA)
where:
Base-Base interactions energy: -32.167
where: short stacking energy: -20.834
Base-Backbone interact. energy: -0.146
local terms energy: -41.885138
where:
bonds (distance) C4'-P energy: -10.664
bonds (distance) P-C4' energy: -14.639
flat angles C4'-P-C4' energy: -7.238
flat angles P-C4'-P energy: -6.386
tors. eta vs tors. theta energy: -2.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -59.561942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.561942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.561942 (E_RNA)
where:
Base-Base interactions energy: -25.649
where: short stacking energy: -14.889
Base-Backbone interact. energy: -0.007
local terms energy: -33.905712
where:
bonds (distance) C4'-P energy: -12.274
bonds (distance) P-C4' energy: -8.773
flat angles C4'-P-C4' energy: -4.858
flat angles P-C4'-P energy: -5.983
tors. eta vs tors. theta energy: -2.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -185.441940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.441940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.441940 (E_RNA)
where:
Base-Base interactions energy: -115.561
where: short stacking energy: -45.640
Base-Backbone interact. energy: -0.293
local terms energy: -69.588408
where:
bonds (distance) C4'-P energy: -13.669
bonds (distance) P-C4' energy: -15.079
flat angles C4'-P-C4' energy: -15.239
flat angles P-C4'-P energy: -8.812
tors. eta vs tors. theta energy: -16.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -181.930859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.930859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.930859 (E_RNA)
where:
Base-Base interactions energy: -121.137
where: short stacking energy: -50.565
Base-Backbone interact. energy: -0.001
local terms energy: -60.792684
where:
bonds (distance) C4'-P energy: -10.481
bonds (distance) P-C4' energy: -12.681
flat angles C4'-P-C4' energy: -14.531
flat angles P-C4'-P energy: -8.345
tors. eta vs tors. theta energy: -14.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -167.699529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.699529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.699529 (E_RNA)
where:
Base-Base interactions energy: -103.816
where: short stacking energy: -42.603
Base-Backbone interact. energy: 1.513
local terms energy: -65.396646
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -13.867
flat angles C4'-P-C4' energy: -11.311
flat angles P-C4'-P energy: -9.002
tors. eta vs tors. theta energy: -17.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -168.556925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.556925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.556925 (E_RNA)
where:
Base-Base interactions energy: -104.925
where: short stacking energy: -37.887
Base-Backbone interact. energy: -0.041
local terms energy: -63.590916
where:
bonds (distance) C4'-P energy: -12.829
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -13.274
flat angles P-C4'-P energy: -8.419
tors. eta vs tors. theta energy: -14.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -84.249101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.249101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.249101 (E_RNA)
where:
Base-Base interactions energy: -35.876
where: short stacking energy: -18.425
Base-Backbone interact. energy: -0.096
local terms energy: -48.276415
where:
bonds (distance) C4'-P energy: -13.371
bonds (distance) P-C4' energy: -14.199
flat angles C4'-P-C4' energy: -11.060
flat angles P-C4'-P energy: -7.166
tors. eta vs tors. theta energy: -2.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -77.437908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.437908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.437908 (E_RNA)
where:
Base-Base interactions energy: -29.329
where: short stacking energy: -20.656
Base-Backbone interact. energy: -0.202
local terms energy: -47.906617
where:
bonds (distance) C4'-P energy: -5.633
bonds (distance) P-C4' energy: -12.370
flat angles C4'-P-C4' energy: -13.321
flat angles P-C4'-P energy: -8.845
tors. eta vs tors. theta energy: -7.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -78.543096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.543096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.543096 (E_RNA)
where:
Base-Base interactions energy: -37.134
where: short stacking energy: -13.202
Base-Backbone interact. energy: -0.120
local terms energy: -41.289095
where:
bonds (distance) C4'-P energy: -12.116
bonds (distance) P-C4' energy: -10.783
flat angles C4'-P-C4' energy: -8.734
flat angles P-C4'-P energy: -6.003
tors. eta vs tors. theta energy: -3.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -64.782535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.782535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.782535 (E_RNA)
where:
Base-Base interactions energy: -19.652
where: short stacking energy: -16.033
Base-Backbone interact. energy: 0.161
local terms energy: -45.291210
where:
bonds (distance) C4'-P energy: -10.564
bonds (distance) P-C4' energy: -12.917
flat angles C4'-P-C4' energy: -7.927
flat angles P-C4'-P energy: -6.182
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: 9, replica: 4
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -73.945110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.945110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.945110 (E_RNA)
where:
Base-Base interactions energy: -41.557
where: short stacking energy: -16.853
Base-Backbone interact. energy: -0.057
local terms energy: -32.331303
where:
bonds (distance) C4'-P energy: -10.556
bonds (distance) P-C4' energy: -7.295
flat angles C4'-P-C4' energy: -8.959
flat angles P-C4'-P energy: -5.866
tors. eta vs tors. theta energy: 0.345
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: 10
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -59.107142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.107142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.107142 (E_RNA)
where:
Base-Base interactions energy: -15.383
where: short stacking energy: -9.142
Base-Backbone interact. energy: -0.198
local terms energy: -43.526063
where:
bonds (distance) C4'-P energy: -12.261
bonds (distance) P-C4' energy: -13.826
flat angles C4'-P-C4' energy: -11.079
flat angles P-C4'-P energy: -7.866
tors. eta vs tors. theta energy: 1.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -181.088184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.088184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.088184 (E_RNA)
where:
Base-Base interactions energy: -116.828
where: short stacking energy: -46.098
Base-Backbone interact. energy: -0.064
local terms energy: -64.196247
where:
bonds (distance) C4'-P energy: -10.262
bonds (distance) P-C4' energy: -13.751
flat angles C4'-P-C4' energy: -11.920
flat angles P-C4'-P energy: -11.996
tors. eta vs tors. theta energy: -16.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -172.773402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.773402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.773402 (E_RNA)
where:
Base-Base interactions energy: -112.801
where: short stacking energy: -45.842
Base-Backbone interact. energy: -0.040
local terms energy: -59.932369
where:
bonds (distance) C4'-P energy: -12.411
bonds (distance) P-C4' energy: -11.908
flat angles C4'-P-C4' energy: -11.404
flat angles P-C4'-P energy: -7.210
tors. eta vs tors. theta energy: -16.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -177.710067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.710067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.710067 (E_RNA)
where:
Base-Base interactions energy: -118.376
where: short stacking energy: -43.682
Base-Backbone interact. energy: -0.107
local terms energy: -59.227432
where:
bonds (distance) C4'-P energy: -9.835
bonds (distance) P-C4' energy: -12.126
flat angles C4'-P-C4' energy: -12.916
flat angles P-C4'-P energy: -9.133
tors. eta vs tors. theta energy: -15.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -166.057093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.057093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.057093 (E_RNA)
where:
Base-Base interactions energy: -109.876
where: short stacking energy: -44.912
Base-Backbone interact. energy: -0.147
local terms energy: -56.033598
where:
bonds (distance) C4'-P energy: -10.370
bonds (distance) P-C4' energy: -11.542
flat angles C4'-P-C4' energy: -13.278
flat angles P-C4'-P energy: -10.187
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: 9
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -78.461605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.461605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.461605 (E_RNA)
where:
Base-Base interactions energy: -36.206
where: short stacking energy: -15.908
Base-Backbone interact. energy: -0.173
local terms energy: -42.082447
where:
bonds (distance) C4'-P energy: -11.363
bonds (distance) P-C4' energy: -11.074
flat angles C4'-P-C4' energy: -10.081
flat angles P-C4'-P energy: -8.331
tors. eta vs tors. theta energy: -1.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -91.758557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.758557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.758557 (E_RNA)
where:
Base-Base interactions energy: -45.302
where: short stacking energy: -24.503
Base-Backbone interact. energy: -0.092
local terms energy: -46.364627
where:
bonds (distance) C4'-P energy: -8.909
bonds (distance) P-C4' energy: -13.945
flat angles C4'-P-C4' energy: -11.396
flat angles P-C4'-P energy: -7.019
tors. eta vs tors. theta energy: -5.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -77.700966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.700966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.700966 (E_RNA)
where:
Base-Base interactions energy: -43.172
where: short stacking energy: -16.669
Base-Backbone interact. energy: -0.466
local terms energy: -34.062774
where:
bonds (distance) C4'-P energy: -13.984
bonds (distance) P-C4' energy: -7.159
flat angles C4'-P-C4' energy: -8.349
flat angles P-C4'-P energy: -6.369
tors. eta vs tors. theta energy: 1.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -75.492452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.492452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.492452 (E_RNA)
where:
Base-Base interactions energy: -30.189
where: short stacking energy: -8.559
Base-Backbone interact. energy: -0.393
local terms energy: -44.910994
where:
bonds (distance) C4'-P energy: -13.367
bonds (distance) P-C4' energy: -13.091
flat angles C4'-P-C4' energy: -8.238
flat angles P-C4'-P energy: -11.784
tors. eta vs tors. theta energy: 1.568
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: 6
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -61.493833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.493833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.493833 (E_RNA)
where:
Base-Base interactions energy: -12.249
where: short stacking energy: -12.249
Base-Backbone interact. energy: -0.201
local terms energy: -49.043749
where:
bonds (distance) C4'-P energy: -10.833
bonds (distance) P-C4' energy: -12.209
flat angles C4'-P-C4' energy: -12.894
flat angles P-C4'-P energy: -9.313
tors. eta vs tors. theta energy: -3.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -56.898471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.898471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.898471 (E_RNA)
where:
Base-Base interactions energy: -30.724
where: short stacking energy: -11.202
Base-Backbone interact. energy: 0.496
local terms energy: -26.670491
where:
bonds (distance) C4'-P energy: -7.542
bonds (distance) P-C4' energy: -12.401
flat angles C4'-P-C4' energy: -4.898
flat angles P-C4'-P energy: -5.107
tors. eta vs tors. theta energy: 3.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -179.263369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.263369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.263369 (E_RNA)
where:
Base-Base interactions energy: -116.802
where: short stacking energy: -45.901
Base-Backbone interact. energy: -0.017
local terms energy: -62.444458
where:
bonds (distance) C4'-P energy: -10.938
bonds (distance) P-C4' energy: -13.373
flat angles C4'-P-C4' energy: -14.205
flat angles P-C4'-P energy: -7.153
tors. eta vs tors. theta energy: -16.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -174.757266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.757266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.757266 (E_RNA)
where:
Base-Base interactions energy: -115.050
where: short stacking energy: -46.314
Base-Backbone interact. energy: -0.610
local terms energy: -59.097309
where:
bonds (distance) C4'-P energy: -9.007
bonds (distance) P-C4' energy: -13.877
flat angles C4'-P-C4' energy: -10.367
flat angles P-C4'-P energy: -9.255
tors. eta vs tors. theta energy: -16.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -168.259345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.259345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.259345 (E_RNA)
where:
Base-Base interactions energy: -106.786
where: short stacking energy: -41.994
Base-Backbone interact. energy: -0.150
local terms energy: -61.323002
where:
bonds (distance) C4'-P energy: -13.607
bonds (distance) P-C4' energy: -11.687
flat angles C4'-P-C4' energy: -11.696
flat angles P-C4'-P energy: -9.556
tors. eta vs tors. theta energy: -14.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -173.890734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.890734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.890734 (E_RNA)
where:
Base-Base interactions energy: -114.552
where: short stacking energy: -45.138
Base-Backbone interact. energy: -0.002
local terms energy: -59.336907
where:
bonds (distance) C4'-P energy: -11.607
bonds (distance) P-C4' energy: -14.266
flat angles C4'-P-C4' energy: -10.109
flat angles P-C4'-P energy: -7.372
tors. eta vs tors. theta energy: -15.984
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: 498
Temperature: 1.100000
Total energy: -77.342233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.342233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.342233 (E_RNA)
where:
Base-Base interactions energy: -31.330
where: short stacking energy: -15.984
Base-Backbone interact. energy: -1.462
local terms energy: -44.550217
where:
bonds (distance) C4'-P energy: -12.456
bonds (distance) P-C4' energy: -13.723
flat angles C4'-P-C4' energy: -12.017
flat angles P-C4'-P energy: -8.143
tors. eta vs tors. theta energy: 1.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -63.547026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.547026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.547026 (E_RNA)
where:
Base-Base interactions energy: -26.189
where: short stacking energy: -12.385
Base-Backbone interact. energy: -0.137
local terms energy: -37.221320
where:
bonds (distance) C4'-P energy: -11.186
bonds (distance) P-C4' energy: -13.100
flat angles C4'-P-C4' energy: -10.501
flat angles P-C4'-P energy: -4.952
tors. eta vs tors. theta energy: 2.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -64.843597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.843597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.843597 (E_RNA)
where:
Base-Base interactions energy: -31.799
where: short stacking energy: -10.191
Base-Backbone interact. energy: -0.724
local terms energy: -32.321383
where:
bonds (distance) C4'-P energy: -11.003
bonds (distance) P-C4' energy: -8.682
flat angles C4'-P-C4' energy: -11.340
flat angles P-C4'-P energy: -7.405
tors. eta vs tors. theta energy: 6.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -71.636973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.636973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.636973 (E_RNA)
where:
Base-Base interactions energy: -27.292
where: short stacking energy: -16.380
Base-Backbone interact. energy: -0.204
local terms energy: -44.140814
where:
bonds (distance) C4'-P energy: -14.542
bonds (distance) P-C4' energy: -11.800
flat angles C4'-P-C4' energy: -12.478
flat angles P-C4'-P energy: -3.825
tors. eta vs tors. theta energy: -1.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -73.419158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.419158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.419158 (E_RNA)
where:
Base-Base interactions energy: -33.308
where: short stacking energy: -9.772
Base-Backbone interact. energy: -0.622
local terms energy: -39.488226
where:
bonds (distance) C4'-P energy: -9.997
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -12.574
flat angles P-C4'-P energy: -6.838
tors. eta vs tors. theta energy: 2.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -54.312098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.312098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.312098 (E_RNA)
where:
Base-Base interactions energy: -17.402
where: short stacking energy: -13.858
Base-Backbone interact. energy: -0.012
local terms energy: -36.898071
where:
bonds (distance) C4'-P energy: -12.937
bonds (distance) P-C4' energy: -9.866
flat angles C4'-P-C4' energy: -11.064
flat angles P-C4'-P energy: -2.678
tors. eta vs tors. theta energy: -0.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -183.627256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.627256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.627256 (E_RNA)
where:
Base-Base interactions energy: -121.645
where: short stacking energy: -51.025
Base-Backbone interact. energy: -0.014
local terms energy: -61.968846
where:
bonds (distance) C4'-P energy: -11.272
bonds (distance) P-C4' energy: -13.246
flat angles C4'-P-C4' energy: -10.475
flat angles P-C4'-P energy: -9.643
tors. eta vs tors. theta energy: -17.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -169.313243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.313243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.313243 (E_RNA)
where:
Base-Base interactions energy: -110.083
where: short stacking energy: -43.990
Base-Backbone interact. energy: -0.004
local terms energy: -59.226328
where:
bonds (distance) C4'-P energy: -11.181
bonds (distance) P-C4' energy: -15.538
flat angles C4'-P-C4' energy: -12.691
flat angles P-C4'-P energy: -5.405
tors. eta vs tors. theta energy: -14.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -171.911052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.911052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.911052 (E_RNA)
where:
Base-Base interactions energy: -118.081
where: short stacking energy: -47.508
Base-Backbone interact. energy: 0.102
local terms energy: -53.931723
where:
bonds (distance) C4'-P energy: -8.995
bonds (distance) P-C4' energy: -10.404
flat angles C4'-P-C4' energy: -10.765
flat angles P-C4'-P energy: -7.011
tors. eta vs tors. theta energy: -16.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -166.203138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.203138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.203138 (E_RNA)
where:
Base-Base interactions energy: -105.096
where: short stacking energy: -39.434
Base-Backbone interact. energy: -0.047
local terms energy: -61.060407
where:
bonds (distance) C4'-P energy: -14.269
bonds (distance) P-C4' energy: -12.983
flat angles C4'-P-C4' energy: -9.198
flat angles P-C4'-P energy: -10.806
tors. eta vs tors. theta energy: -13.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -95.461111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.461111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.461111 (E_RNA)
where:
Base-Base interactions energy: -49.443
where: short stacking energy: -19.929
Base-Backbone interact. energy: 0.297
local terms energy: -46.315696
where:
bonds (distance) C4'-P energy: -9.056
bonds (distance) P-C4' energy: -12.613
flat angles C4'-P-C4' energy: -12.155
flat angles P-C4'-P energy: -5.776
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: 6, replica: 4
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -87.721307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.721307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.721307 (E_RNA)
where:
Base-Base interactions energy: -45.312
where: short stacking energy: -24.686
Base-Backbone interact. energy: -0.024
local terms energy: -42.385643
where:
bonds (distance) C4'-P energy: -13.396
bonds (distance) P-C4' energy: -12.669
flat angles C4'-P-C4' energy: -8.816
flat angles P-C4'-P energy: -5.918
tors. eta vs tors. theta energy: -1.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -63.307419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.307419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.307419 (E_RNA)
where:
Base-Base interactions energy: -16.372
where: short stacking energy: -16.372
Base-Backbone interact. energy: 0.004
local terms energy: -46.938788
where:
bonds (distance) C4'-P energy: -11.189
bonds (distance) P-C4' energy: -14.453
flat angles C4'-P-C4' energy: -13.959
flat angles P-C4'-P energy: -8.509
tors. eta vs tors. theta energy: 1.172
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: 10
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -66.398571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.398571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.398571 (E_RNA)
where:
Base-Base interactions energy: -23.477
where: short stacking energy: -22.048
Base-Backbone interact. energy: -0.127
local terms energy: -42.794970
where:
bonds (distance) C4'-P energy: -10.489
bonds (distance) P-C4' energy: -11.691
flat angles C4'-P-C4' energy: -8.989
flat angles P-C4'-P energy: -7.573
tors. eta vs tors. theta energy: -4.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -64.097375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.097375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.097375 (E_RNA)
where:
Base-Base interactions energy: -26.188
where: short stacking energy: -15.118
Base-Backbone interact. energy: -1.953
local terms energy: -35.956548
where:
bonds (distance) C4'-P energy: -7.860
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -9.369
flat angles P-C4'-P energy: -7.701
tors. eta vs tors. theta energy: 2.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -58.896834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.896834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.896834 (E_RNA)
where:
Base-Base interactions energy: -10.987
where: short stacking energy: -10.987
Base-Backbone interact. energy: -0.097
local terms energy: -47.812797
where:
bonds (distance) C4'-P energy: -13.122
bonds (distance) P-C4' energy: -12.414
flat angles C4'-P-C4' energy: -12.108
flat angles P-C4'-P energy: -9.498
tors. eta vs tors. theta energy: -0.671
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: 8
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -175.248653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.248653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.248653 (E_RNA)
where:
Base-Base interactions energy: -121.112
where: short stacking energy: -45.166
Base-Backbone interact. energy: -0.522
local terms energy: -53.613765
where:
bonds (distance) C4'-P energy: -10.792
bonds (distance) P-C4' energy: -12.638
flat angles C4'-P-C4' energy: -7.139
flat angles P-C4'-P energy: -7.757
tors. eta vs tors. theta energy: -15.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -177.924972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.924972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.924972 (E_RNA)
where:
Base-Base interactions energy: -112.159
where: short stacking energy: -47.575
Base-Backbone interact. energy: -0.169
local terms energy: -65.596936
where:
bonds (distance) C4'-P energy: -13.648
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -14.639
flat angles P-C4'-P energy: -7.621
tors. eta vs tors. theta energy: -15.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -171.702062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.702062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.702062 (E_RNA)
where:
Base-Base interactions energy: -115.747
where: short stacking energy: -45.732
Base-Backbone interact. energy: -0.015
local terms energy: -55.940718
where:
bonds (distance) C4'-P energy: -10.593
bonds (distance) P-C4' energy: -11.327
flat angles C4'-P-C4' energy: -11.762
flat angles P-C4'-P energy: -9.054
tors. eta vs tors. theta energy: -13.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -164.994310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.994310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.994310 (E_RNA)
where:
Base-Base interactions energy: -100.402
where: short stacking energy: -37.997
Base-Backbone interact. energy: -0.320
local terms energy: -64.272940
where:
bonds (distance) C4'-P energy: -12.297
bonds (distance) P-C4' energy: -14.189
flat angles C4'-P-C4' energy: -12.755
flat angles P-C4'-P energy: -10.611
tors. eta vs tors. theta energy: -14.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -82.213951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.213951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.213951 (E_RNA)
where:
Base-Base interactions energy: -34.029
where: short stacking energy: -19.308
Base-Backbone interact. energy: -0.141
local terms energy: -48.044147
where:
bonds (distance) C4'-P energy: -10.759
bonds (distance) P-C4' energy: -10.609
flat angles C4'-P-C4' energy: -12.158
flat angles P-C4'-P energy: -7.269
tors. eta vs tors. theta energy: -7.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -104.437389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.437389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.437389 (E_RNA)
where:
Base-Base interactions energy: -59.565
where: short stacking energy: -22.526
Base-Backbone interact. energy: -0.080
local terms energy: -44.792586
where:
bonds (distance) C4'-P energy: -12.601
bonds (distance) P-C4' energy: -7.471
flat angles C4'-P-C4' energy: -9.657
flat angles P-C4'-P energy: -7.696
tors. eta vs tors. theta energy: -7.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -66.641315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.641315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.641315 (E_RNA)
where:
Base-Base interactions energy: -23.740
where: short stacking energy: -12.657
Base-Backbone interact. energy: -0.385
local terms energy: -42.516391
where:
bonds (distance) C4'-P energy: -10.846
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -10.946
flat angles P-C4'-P energy: -6.821
tors. eta vs tors. theta energy: -0.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -89.460959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.460959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.460959 (E_RNA)
where:
Base-Base interactions energy: -51.161
where: short stacking energy: -15.998
Base-Backbone interact. energy: -0.768
local terms energy: -37.531558
where:
bonds (distance) C4'-P energy: -10.903
bonds (distance) P-C4' energy: -7.452
flat angles C4'-P-C4' energy: -7.064
flat angles P-C4'-P energy: -9.392
tors. eta vs tors. theta energy: -2.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -64.266466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.266466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.266466 (E_RNA)
where:
Base-Base interactions energy: -20.197
where: short stacking energy: -20.197
Base-Backbone interact. energy: -0.156
local terms energy: -43.914008
where:
bonds (distance) C4'-P energy: -10.974
bonds (distance) P-C4' energy: -12.159
flat angles C4'-P-C4' energy: -13.706
flat angles P-C4'-P energy: -5.053
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: 10, replica: 6
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -60.138847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.138847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.138847 (E_RNA)
where:
Base-Base interactions energy: -30.024
where: short stacking energy: -4.153
Base-Backbone interact. energy: -0.205
local terms energy: -29.910136
where:
bonds (distance) C4'-P energy: -7.919
bonds (distance) P-C4' energy: -13.620
flat angles C4'-P-C4' energy: -7.565
flat angles P-C4'-P energy: -1.206
tors. eta vs tors. theta energy: 0.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -179.700025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.700025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.700025 (E_RNA)
where:
Base-Base interactions energy: -114.254
where: short stacking energy: -46.311
Base-Backbone interact. energy: -0.040
local terms energy: -65.405554
where:
bonds (distance) C4'-P energy: -12.357
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -13.474
flat angles P-C4'-P energy: -9.138
tors. eta vs tors. theta energy: -16.920
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: 2, replica: 2
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -179.613222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.613222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.613222 (E_RNA)
where:
Base-Base interactions energy: -120.364
where: short stacking energy: -50.914
Base-Backbone interact. energy: -0.000
local terms energy: -59.248911
where:
bonds (distance) C4'-P energy: -12.646
bonds (distance) P-C4' energy: -10.463
flat angles C4'-P-C4' energy: -11.853
flat angles P-C4'-P energy: -8.473
tors. eta vs tors. theta energy: -15.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -173.530229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.530229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.530229 (E_RNA)
where:
Base-Base interactions energy: -114.027
where: short stacking energy: -39.008
Base-Backbone interact. energy: -0.552
local terms energy: -58.950499
where:
bonds (distance) C4'-P energy: -13.470
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -10.714
flat angles P-C4'-P energy: -7.967
tors. eta vs tors. theta energy: -11.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -161.685235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.685235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.685235 (E_RNA)
where:
Base-Base interactions energy: -101.067
where: short stacking energy: -41.348
Base-Backbone interact. energy: -0.035
local terms energy: -60.583836
where:
bonds (distance) C4'-P energy: -13.185
bonds (distance) P-C4' energy: -12.948
flat angles C4'-P-C4' energy: -12.777
flat angles P-C4'-P energy: -9.521
tors. eta vs tors. theta energy: -12.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -76.059283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.059283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.059283 (E_RNA)
where:
Base-Base interactions energy: -23.637
where: short stacking energy: -23.167
Base-Backbone interact. energy: -0.006
local terms energy: -52.416273
where:
bonds (distance) C4'-P energy: -8.409
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -14.125
flat angles P-C4'-P energy: -9.107
tors. eta vs tors. theta energy: -6.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -65.104988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.104988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.104988 (E_RNA)
where:
Base-Base interactions energy: -22.794
where: short stacking energy: -12.806
Base-Backbone interact. energy: -0.088
local terms energy: -42.223550
where:
bonds (distance) C4'-P energy: -11.231
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -10.492
flat angles P-C4'-P energy: -5.197
tors. eta vs tors. theta energy: -0.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -73.263045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.263045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.263045 (E_RNA)
where:
Base-Base interactions energy: -32.906
where: short stacking energy: -12.474
Base-Backbone interact. energy: -0.108
local terms energy: -40.249174
where:
bonds (distance) C4'-P energy: -9.090
bonds (distance) P-C4' energy: -13.079
flat angles C4'-P-C4' energy: -12.229
flat angles P-C4'-P energy: -6.366
tors. eta vs tors. theta energy: 0.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -68.484290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.484290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.484290 (E_RNA)
where:
Base-Base interactions energy: -25.872
where: short stacking energy: -16.139
Base-Backbone interact. energy: -0.175
local terms energy: -42.437139
where:
bonds (distance) C4'-P energy: -9.579
bonds (distance) P-C4' energy: -14.389
flat angles C4'-P-C4' energy: -9.198
flat angles P-C4'-P energy: -7.500
tors. eta vs tors. theta energy: -1.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -63.652723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.652723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.652723 (E_RNA)
where:
Base-Base interactions energy: -18.898
where: short stacking energy: -17.510
Base-Backbone interact. energy: -0.989
local terms energy: -43.766290
where:
bonds (distance) C4'-P energy: -11.347
bonds (distance) P-C4' energy: -14.435
flat angles C4'-P-C4' energy: -9.561
flat angles P-C4'-P energy: -6.498
tors. eta vs tors. theta energy: -1.925
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: 6
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -78.806487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.806487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.806487 (E_RNA)
where:
Base-Base interactions energy: -36.556
where: short stacking energy: -11.846
Base-Backbone interact. energy: -0.596
local terms energy: -41.655004
where:
bonds (distance) C4'-P energy: -10.804
bonds (distance) P-C4' energy: -12.920
flat angles C4'-P-C4' energy: -10.035
flat angles P-C4'-P energy: -3.590
tors. eta vs tors. theta energy: -4.307
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)
replica 2 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 16647977
moves confirmed later: 20137512
all moves confirmed: 36785489
percent of confirmed moves: 4.598186
current total energy: -140.474664
recalc. total energy: -140.474664
replica 8 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 17742961
moves confirmed later: 21617556
all moves confirmed: 39360517
percent of confirmed moves: 4.920065
current total energy: -146.157712
recalc. total energy: -146.157712
replica 1 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 9725696
moves confirmed later: 10813729
all moves confirmed: 20539425
percent of confirmed moves: 2.567428
current total energy: -133.277785
recalc. total energy: -133.277785
replica 5 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 19773465
moves confirmed later: 24352409
all moves confirmed: 44125874
percent of confirmed moves: 5.515734
current total energy: -87.222977
recalc. total energy: -87.222977
replica 4 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 21166725
moves confirmed later: 26184686
all moves confirmed: 47351411
percent of confirmed moves: 5.918926
current total energy: -53.192117
recalc. total energy: -53.192117
replica 10 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 20935250
moves confirmed later: 25876801
all moves confirmed: 46812051
percent of confirmed moves: 5.851506
current total energy: -35.870694
recalc. total energy: -35.870694
replica 3 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 11151902
moves confirmed later: 12744442
all moves confirmed: 23896344
percent of confirmed moves: 2.987043
current total energy: -42.119903
recalc. total energy: -42.119903
replica 7 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 12525629
moves confirmed later: 14572124
all moves confirmed: 27097753
percent of confirmed moves: 3.387219
current total energy: -28.778761
recalc. total energy: -28.778761
replica 6 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 12827611
moves confirmed later: 14985845
all moves confirmed: 27813456
percent of confirmed moves: 3.476682
current total energy: -7.210957
recalc. total energy: -7.210957
replica 9 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 17686007
moves confirmed later: 21504912
all moves confirmed: 39190919
percent of confirmed moves: 4.898865
current total energy: -31.684461
recalc. total energy: -31.684461
out arg RESULTS//1/MALAT1-17er-25351474_01
Time of doing 8000000 iterations: 1970.232 seconds